81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-561.89207332 magmom=71.9992466 free_energy=-561.89207332 stress="-0.021730071346700804 0.00014709001925288862 -2.691937919956946e-06 0.00014709001925288862 -0.021560658214293177 1.7258084808523503e-06 -2.691937919956946e-06 1.7258084808523503e-06 -0.02212452757692868" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45930000       0.84249000      15.81554000       0.09578116       0.05586370      -0.06997887
Cr       4.44203000       0.84255000      15.81554000      -0.09630777       0.05482543      -0.07002834
Cr       2.95062000       3.42563000      15.81554000       0.00056291      -0.11069507      -0.06990860
Cr       4.40995000       2.54605000      25.35337000       0.09753390       0.05687947      -0.07213565
Cr       1.49138000       2.54610000      25.35337000      -0.09806405       0.05605396      -0.07221329
Cr       2.95062000       0.01852000      25.35337000       0.00059391      -0.11290440      -0.07214066
Cr       1.45930000       4.24961000       6.27771000       0.09793893       0.05708093      -0.07067532
Cr      -1.45927000       4.24966000       6.27771000      -0.09848080       0.05626831      -0.07076458
Cr      -0.00003000       1.72208000       6.27771000       0.00059682      -0.11342177      -0.07072018
Cr       0.00000000       0.00000000      18.23081000      -0.00001547      -0.00006681      -0.09493265
Cr       2.95065000       1.70356000      27.76864000      -0.00000812      -0.00002585      -0.09712263
Cr      -0.00000000       3.40712000       8.69297000      -0.00000203      -0.00002629      -0.09518366
Cr       0.00000000       0.00000000       3.91004000      -0.00002045       0.00000013       0.05543097
Cr       2.95065000       1.70356000      13.44787000      -0.00003305      -0.00006135       0.05438208
Cr      -0.00000000       3.40712000      22.98570000      -0.00001732      -0.00008168       0.05559473
Cr       0.00000000       1.70356000      20.64178000       0.00033980       0.02597473      -0.04628953
Cr       1.47532000       4.25890000      20.64178000      -0.02249276      -0.01276250      -0.04633351
Cr      -1.47532000       4.25890000      20.64178000       0.02213024      -0.01336498      -0.04631237
Cr       2.95065000       3.40712000       1.56611000       0.00032256       0.02596867      -0.04481461
Cr       1.47532000       0.85178000       1.56611000      -0.02259784      -0.01266491      -0.04483981
Cr       4.42597000       0.85178000       1.56611000       0.02243976      -0.01332117      -0.04479850
Cr       2.95065000       0.00000000      11.10395000       0.00033946       0.02651187      -0.04840966
Cr      -1.47532000       2.55534000      11.10395000      -0.02321626      -0.01295807      -0.04841210
Cr       1.47532000       2.55534000      11.10395000       0.02285681      -0.01356157      -0.04839241
O        1.33254000       0.76931000      19.47549000       0.28987300       0.16345807      -0.08924940
O        4.56879000       0.76936000      19.47549000      -0.29414295       0.16945369      -0.08852332
O        2.95062000       3.57200000      19.47549000       0.00399610      -0.33256599      -0.08919241
O        4.28319000       2.47287000       0.39983000       0.28937926       0.16316746      -0.09818478
O        1.61814000       2.47292000       0.39983000      -0.29365255       0.16915165      -0.09745685
O        2.95062000       0.16489000       0.39983000       0.00395857      -0.33215263      -0.09816459
O        1.33254000       4.17643000       9.93766000       0.29125049       0.16422525      -0.10482627
O       -1.33251000       4.17648000       9.93766000      -0.29551462       0.17021891      -0.10409750
O       -0.00003000       1.86845000       9.93766000       0.00399717      -0.33435896      -0.10483468
O        1.59332000       0.91987000      12.24801000      -0.37066724      -0.21079468       0.12487253
O        4.30801000       0.91992000      12.24801000       0.37308124      -0.21574396       0.12399631
O        2.95062000       3.27088000      12.24801000      -0.00211482       0.42646748       0.12482251
O       -1.35733000       2.62343000      21.78584000      -0.37262473      -0.21194479       0.12421791
O        1.35736000       2.62348000      21.78584000       0.37502349      -0.21690002       0.12335952
O       -0.00003000       4.97444000      21.78584000      -0.00210235       0.42878792       0.12420457
O        1.59332000       4.32699000       2.71017000      -0.37721257      -0.21460587       0.13673945
O       -1.59329000       4.32704000       2.71017000       0.37957999      -0.21956369       0.13587405
O       -0.00003000       1.56732000       2.71017000      -0.00214975       0.43404231       0.13670810
O        1.34240000       0.77503000       5.16760000       0.31225938       0.17668737      -0.12179066
O        4.55890000       0.77503000       5.16760000      -0.31555169       0.18198982      -0.12158370
O        2.95065000       3.56061000       5.16760000       0.00363721      -0.35882190      -0.12177210
O        4.29305000       2.47859000      14.70543000       0.30910190       0.17486645      -0.13106141
O        1.60825000       2.47859000      14.70543000      -0.31237866       0.18008650      -0.13082898
O        2.95065000       0.15349000      14.70543000       0.00364704      -0.35507340      -0.13098659
O        1.34240000       4.18215000      24.24327000       0.31206604       0.17652418      -0.13403845
O       -1.34240000       4.18215000      24.24327000      -0.31534202       0.18180328      -0.13382318
O        0.00000000       1.85705000      24.24327000       0.00362825      -0.35855628      -0.13402662
O        0.00000000       0.00000000      21.64955000      -0.00045152       0.00030208       0.35727139
O        2.95065000       1.70356000       2.57388000      -0.00048933       0.00028920       0.34729996
O       -0.00000000       3.40712000      12.11171000      -0.00044821       0.00026735       0.35612699
O        0.00000000       0.00000000       7.30989000      -0.00054953       0.00033096       0.32386615
O        2.95065000       1.70356000      16.84772000      -0.00056819       0.00028982       0.33256148
O       -0.00000000       3.40712000      26.38556000      -0.00055011       0.00028578       0.32788641
O        0.00000000       0.00000000       0.51762000       0.00048390      -0.00029921      -0.32231450
O        2.95065000       1.70356000      10.05545000       0.00052132      -0.00029983      -0.32729954
O       -0.00000000       3.40712000      19.59329000       0.00052082      -0.00034166      -0.32544815
O        0.00000000       1.53545000      16.94148000      -0.00350783       0.35392671       0.15773286
O        1.62091000       4.34295000      16.94148000      -0.30846313      -0.17344685       0.15768314
O       -1.62091000       4.34295000      16.94148000       0.31222398      -0.18060207       0.15711085
O        2.95065000       3.23901000      26.47931000      -0.00352121       0.35604066       0.15958773
O        1.62091000       0.93583000      26.47931000      -0.31037692      -0.17452863       0.15962090
O        4.28039000       0.93583000      26.47931000       0.31412913      -0.18161613       0.15900506
O        0.00000000       4.94257000       7.40365000      -0.00352143       0.35598163       0.17021150
O       -1.32974000       2.63939000       7.40365000      -0.31031231      -0.17450275       0.17022005
O        1.32974000       2.63939000       7.40365000       0.31407770      -0.18160645       0.16961890
Zn       0.00000000       0.00000000      27.15707000       0.00026281      -0.00016827       0.04376863
Zn       2.95065000       1.70356000       8.08141000       0.00023282      -0.00015311       0.03076805
Zn      -0.00000000       3.40712000      17.61924000       0.00027827      -0.00017921       0.02164515
Zn       0.00000000       0.00000000      23.60270000      -0.00033171       0.00020667      -0.04554219
Zn       2.95065000       1.70356000       4.52704000      -0.00035732       0.00020688      -0.04365973
Zn      -0.00000000       3.40712000      14.06487000      -0.00034468       0.00019734      -0.02605721
Zn       0.00000000       0.00000000      13.28296000       0.00024565      -0.00015031      -0.16730284
Zn       2.95065000       1.70356000      22.82079000       0.00025699      -0.00013730      -0.18287852
Zn      -0.00000000       3.40712000       3.74513000       0.00027288      -0.00017620      -0.16316641
Zn       0.00000000       0.00000000       9.31741000      -0.00029746       0.00019412       0.01436649
Zn       2.95065000       1.70356000      18.85525000      -0.00032987       0.00017153       0.00910412
Zn      -0.00000000       3.40712000      28.39308000      -0.00029104       0.00015834       0.03685900
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.88416032 magmom=72.0017014 free_energy=-554.88416033 stress="-0.03993715757008755 0.003506850578804801 -0.0029173320152843917 0.003506850578804801 -0.03089528962498764 -0.0027165795290576247 -0.0029173320152843917 -0.0027165795290576247 -0.03376045604322427" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40328000       0.83895000      15.84380000       0.88020688      -0.60647197      -2.05680017
Cr       4.48066000       0.86801000      15.81956000      -2.18465366      -1.67245916      -0.89927621
Cr       3.00092000       3.45590000      15.81441000      -0.92621673      -1.20342892      -0.32449090
Cr       4.32166000       2.61313000      25.29072000       1.24843906      -0.92074017       1.41478913
Cr       1.45520000       2.54803000      25.39619000      -0.58162955       0.85893264      -0.87594594
Cr       2.99562000       0.10961000      25.40412000      -1.49337833      -1.83636368      -0.76524936
Cr       1.48438000       4.21857000       6.40340000       1.02912490       1.41397800      -1.64546314
Cr      -1.34966000       4.18812000       6.25297000      -0.90615170       1.03677140      -0.54707689
Cr       0.10019000       1.59467000       6.35385000       0.06468652       3.47869043       0.83791126
Cr      -2.90855000       5.10932000      18.15517000      -0.07953786      -0.86133764       2.41576196
Cr       2.89949000       1.81236000      27.80272000       1.28425340      -2.22529881      -2.22742165
Cr      -0.08736000       3.45940000       8.69583000       1.33778563      -0.75040137       0.31474196
Cr       5.83870000       0.04228000       3.94161000       0.76355334       0.34925152       0.07346694
Cr       2.98811000       1.68743000      13.41261000      -0.75561945       0.03635653       1.02580959
Cr       0.06545000       3.38020000      23.05155000      -2.39977003       1.40831983      -0.30830909
Cr      -0.06441000       1.67435000      20.61155000       0.77581191       0.31356729       0.31437224
Cr       1.42872000       4.30638000      20.64309000      -0.18116332      -1.10008666      -0.97898701
Cr      -1.56884000       4.21474000      20.69733000       1.29077533      -0.91157385       0.31367745
Cr       3.07887000       3.47285000       1.46362000      -1.47717392       0.44600596       2.04879470
Cr       1.58085000       0.92956000       1.40380000      -3.66113406      -0.22320840       3.10063028
Cr       4.49619000       0.81950000       1.53332000      -2.37997938       1.04602700       0.89832932
Cr      -0.00533000       5.08421000      11.08650000       0.65826682       1.49536617      -0.75116031
Cr      -1.46813000       2.56706000      11.09156000      -0.54053952       0.04874787      -0.32722235
Cr       1.46708000       2.60483000      11.21281000      -1.13792791      -0.49754071      -2.81321872
O        1.42538000       0.61415000      19.57678000      -0.96194786       1.81099731      -1.23841022
O        4.55593000       0.69180000      19.32573000       0.27883315       0.71797696       0.93806015
O        2.94388000       3.49335000      19.47828000      -0.22622293       0.55943322      -0.15917699
O        4.29897000       2.45702000       0.31525000       0.67963434       0.20625179       0.36793678
O        1.65775000       2.64586000       0.32506000      -0.01593553      -0.84394348       0.73466997
O        2.87844000       0.05207000       0.41209000       1.39017099       1.13687400      -0.93422622
O        1.30172000       4.15189000       9.91060000       0.62085357       0.42381313       0.76034541
O       -1.35362000       4.20628000       9.91095000      -0.48990271       0.37927949       0.84335167
O       -0.03374000       1.95045000       9.87370000       0.49624814      -1.44178513       1.24930472
O        1.65024000       0.90277000      12.19984000      -0.99959262       0.13715948       0.48855875
O        4.33194000       0.95288000      12.27362000       0.71509775      -0.48081133      -0.58997708
O        2.80628000       3.32047000      12.31646000       1.78087817       0.43564340       0.17147709
O       -1.41983000       2.57797000      21.80561000       0.39874825      -0.01545824       0.32217104
O        1.37751000       2.83415000      21.91314000       1.24415182      -2.79488638      -1.31592299
O        0.02838000       4.97223000      21.82524000      -1.23401052       0.51959112       0.21165829
O        1.61740000       4.36371000       2.76829000      -0.73895297      -0.32025040      -1.22999552
O       -1.67816000       4.32951000       2.79481000       1.26247018       0.52019050      -1.32733209
O       -0.05314000       1.67468000       2.66554000       0.60622632      -0.96127164      -0.47049980
O        1.32709000       0.83147000       5.08254000       1.30685225      -0.62265379       0.64842919
O        4.63422000       1.02127000       5.25221000      -0.98666158      -2.41856596      -0.88528270
O        2.96374000       3.61871000       5.23321000      -0.15033621      -0.98847309      -0.62411656
O        4.29187000       2.45769000      14.79044000       0.20815648       0.49365969      -1.22865415
O        1.54384000       2.36374000      14.58233000       0.32909401       0.77438815       1.25392425
O        2.93605000       0.11294000      14.58033000       0.17023827       0.26178043       1.55724820
O        1.29957000       4.28836000      24.25817000       1.19946437      -0.76680865       0.35099636
O       -1.28224000       4.24549000      24.30657000      -0.85319961       0.10862085      -0.71855512
O       -0.09103000       1.81932000      24.25166000       0.74624299       0.04271605       0.27155071
O        5.78003000       0.06101000      21.61500000       1.15002146      -0.69069262       1.51045548
O        2.86365000       1.80767000       2.49313000       1.55103348      -0.58677334       0.60502926
O       -0.14277000       3.46712000      12.14932000       1.38453198      -0.51061350       0.59065202
O        0.06037000       0.01970000       7.37214000       0.18350723      -1.31190411       0.17507310
O        2.84648000       1.63681000      16.72581000       1.27354952       0.91752851       2.08267154
O        0.03085000       3.38857000      26.44377000      -0.65531714       0.39843592      -1.37273744
O        5.82491000       0.08021000       0.44331000       1.97624047      -0.52385376      -0.51942457
O        3.14034000       1.74513000       9.95545000      -2.01060006      -0.65082292       0.67768904
O        0.06252000       3.26470000      19.58521000      -0.66600196       1.34393405       0.22796614
O       -0.08143000       1.57973000      16.93701000       1.39364218      -0.28332941       0.47981192
O        1.70816000       4.33929000      16.93063000      -1.32955088      -0.25198510       0.01239704
O       -1.54072000       4.28232000      17.07849000      -1.02295493       0.89406615      -1.89413678
O        2.92984000       3.29738000      26.50257000      -0.10338538      -0.27145506      -0.36094075
O        1.59723000       0.97597000      26.46532000      -0.36174210      -0.31642525       0.93084723
O        4.25190000       0.89147000      26.48799000       0.44510827       2.12430605       0.69872188
O        0.06643000       4.95169000       7.46258000      -0.91282536       0.77902192      -0.66496942
O       -1.31040000       2.63250000       7.41488000       0.21980978      -0.12740105      -0.49152148
O        1.31111000       2.70974000       7.50540000       0.82311266      -1.51436800      -0.07723287
Zn       5.82317000       0.00852000      27.10584000       0.61963602       0.46951951       0.14515001
Zn       2.98481000       1.73649000       7.94769000      -0.32917793       0.01899723       1.02029251
Zn      -0.07232000       3.33948000      17.67617000       1.52472940       0.38221484       0.24386722
Zn      -2.89436000       5.04990000      23.62594000      -0.48594898       0.33010285      -0.43052727
Zn       3.02781000       1.59742000       4.50474000      -0.97193587       1.15666519      -0.51463118
Zn      -0.04631000       3.35899000      14.14573000       0.33831674       0.28073457      -0.74469181
Zn       0.02872000       0.03939000      13.25138000      -0.08926391      -0.05872375      -0.06308284
Zn       2.91964000       1.71500000      22.89579000       0.20618219      -0.05066487      -0.54996842
Zn      -0.08624000       3.33223000       3.68899000       0.34537452       0.78871495       0.36355824
Zn       2.95399000       5.08384000       9.32461000      -0.65359159       0.70192776       0.38960710
Zn       2.94846000       1.63292000      18.90064000      -0.42467234       0.35535320      -0.58340427
Zn       0.03756000       3.36888000      28.32885000      -0.82245435       0.21091922       0.42828313
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.28299165 magmom=71.9978063 free_energy=-553.28299165 stress="-0.03987288885048247 -0.0018698924707215403 -0.005140181240372772 -0.0018698924707215403 -0.03552626585050217 0.007509985668116922 -0.005140181240372772 0.007509985668116922 -0.03139110496125397" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37925000       0.79563000      15.81366000       2.17877373       1.79840499      -1.65335295
Cr       4.39770000       0.79270000      15.80411000       0.38427807       0.74080846       1.07090849
Cr       2.99510000       3.42086000      15.83751000      -2.89962131      -1.85588573      -1.38176276
Cr       4.28189000       2.64050000      25.32190000       0.99220790       0.60630299      -1.49764481
Cr       1.38075000       2.58697000      25.44381000       0.89419139      -0.81999767      -1.24011640
Cr       2.96396000       0.13958000      25.46259000      -0.31206027       0.14670767      -1.17628672
Cr       1.59382000       4.25657000       6.47990000      -0.23073278      -0.34441045      -1.70972421
Cr      -1.26124000       4.16541000       6.16375000      -1.49846621       0.27932736      -0.98047951
Cr       0.24248000       1.64885000       6.51342000      -1.29266018      -1.85119922      -3.21246842
Cr      -2.84541000       5.06045000      18.17129000      -2.08962633      -0.47311242      -0.10568838
Cr       2.88183000       1.80579000      27.76783000       1.43515718       0.64002666      -0.15575926
Cr      -0.10712000       3.47689000       8.74384000       1.51495203      -0.29658005       1.12023594
Cr       5.81958000       0.10382000       3.95589000       2.30185698      -1.84909595      -2.23578037
Cr       2.98507000       1.66115000      13.43603000      -0.63139497       0.50063316      -0.66091417
Cr       0.01534000       3.43827000      23.09465000       0.99876724      -0.78658797      -1.39705317
Cr      -0.09595000       1.63630000      20.57482000       2.25167349       0.21140429       2.60224377
Cr       1.36082000       4.29498000      20.59120000       1.50347280      -0.83606595       2.06704522
Cr      -1.62116000       4.10938000      20.78669000       0.65968155       1.65774544      -1.06063135
Cr       3.15860000       3.56655000       1.41949000      -1.05355502      -0.43568388       1.37816205
Cr       1.54252000       1.04769000       1.31772000      -0.05276233      -1.69837371       3.66326699
Cr       4.43179000       0.84669000       1.49993000       1.30893977       0.18852980      -1.37182991
Cr       2.97315000       0.05484000      11.03530000      -0.40708813       0.27178375       2.47681560
Cr       4.40123000       2.57624000      11.06344000      -0.38009347       0.47826659       1.82929236
Cr       1.39587000       2.64141000      11.19592000       2.18511192      -1.39739346      -0.02170053
O        1.27990000       0.71490000      19.46855000       0.70883632      -0.15895344       0.78808289
O        4.62967000       0.71462000      19.36711000      -1.43444308       0.41105225       0.34778459
O        2.89395000       3.57544000      19.45560000      -0.05636288      -1.26677868       0.34339911
O        4.44483000       2.48592000       0.32538000      -1.46467740       0.15843875      -0.13365387
O        1.69593000       2.71513000       0.39520000      -0.29099708       0.01489041      -1.04170773
O        3.05936000       0.21123000       0.27782000      -0.87013773      -0.41052564      -0.48673802
O        1.32752000       4.18474000      10.02786000      -0.15905760       0.17125431      -1.79699973
O       -1.38627000       4.27112000      10.05755000       0.11322091      -0.71994517      -1.64154306
O       -0.00450000       1.83857000      10.05475000      -0.27482537       0.73491024      -1.82144042
O        1.59899000       0.96229000      12.20009000       0.10335283      -0.26008331       0.56842674
O        4.41373000       0.95941000      12.13454000      -0.75270824      -0.42042929       1.03993386
O        2.96651000       3.35007000      12.34412000      -0.22697440      -0.67448919      -0.71559389
O       -1.32088000       2.54644000      21.87706000      -0.48203723      -0.36620513       0.38632374
O        1.50934000       2.56975000      21.79739000      -1.95804115       0.93061933      -0.08770950
O       -0.18423000       4.97441000      21.88449000       1.20450639      -0.08086836      -0.47243755
O        1.58972000       4.41429000       2.60037000       0.37105300      -0.89067793       1.07232078
O       -1.59826000       4.52655000       2.59162000       1.07028468      -0.35240128       1.01261520
O        0.00914000       1.53861000       2.51793000       0.24004560       1.58412504       1.73621956
O        1.50419000       0.72525000       5.19121000      -0.96918272       0.54076068      -0.16410151
O        4.63841000       0.75180000       5.27047000      -0.20199855       0.55689512       1.19486218
O        2.96310000       3.53507000       5.21024000       0.26224959      -0.31133451      -0.52275740
O        4.24057000       2.46080000      14.66389000       0.33068667      -0.38165755       1.01903347
O        1.61109000       2.35418000      14.71908000      -0.42097210       1.53162929      -0.39314522
O        2.94635000       0.18676000      14.76202000      -0.47871878      -1.83590821      -1.09689651
O        1.40705000       4.22821000      24.38100000      -0.56808035       0.66799957      -0.67965274
O       -1.30893000       4.28896000      24.28489000       0.86011785      -0.13737673       0.18971469
O       -0.04680000       1.87670000      24.34034000      -0.25149614      -0.87791673      -0.86498225
O        2.90883000       5.07724000      21.76424000      -1.01081304       0.18446158      -1.69176796
O        3.08278000       1.80150000       2.44194000      -0.86531469       0.37418073       1.05665088
O       -0.00682000       3.44042000      12.18955000      -0.72233701       0.48487243       0.20862698
O       -2.75795000       4.91974000       7.39985000       0.04046542       1.10718433       0.33430750
O        2.95389000       1.72138000      16.93823000       0.05688192      -0.33666512      -0.39784982
O       -0.08730000       3.47581000      26.18738000      -0.29603236       0.38371076       3.81143024
O        0.21751000       0.09348000       0.36100000      -1.71075730      -0.17639915      -0.69649077
O        2.95748000       1.68079000      10.03592000      -0.09658869       1.25923165      -1.26973453
O       -0.03421000       3.37331000      19.69151000      -1.19308929      -0.02316936      -1.07841661
O        0.04742000       1.51251000      16.95103000      -1.30546088       0.36221587       0.41179753
O        1.54364000       4.29378000      16.90117000       0.41626362      -0.11854158       0.76698733
O       -1.64880000       4.34978000      16.80185000       2.11720627      -1.47401679       2.83001280
O        2.87600000       3.31366000      26.43347000      -0.57718369       0.92233407       1.03552196
O        1.49782000       0.97458000      26.58945000       0.86963264       0.26669456      -0.60049458
O        4.25573000       1.28042000      26.55857000       0.34230252      -3.58100771      -0.06061171
O       -0.02767000       5.01260000       7.36444000       1.34544758      -0.63469702       0.97176068
O       -1.16144000       2.64711000       7.30661000      -1.26391348      -0.94630920       1.47576688
O        1.40239000       2.58805000       7.58145000      -0.33945698       2.06209217       0.61337894
Zn       5.74293000       0.05259000      27.03282000       0.12732825       0.14443241       0.46208436
Zn       3.02552000       1.78550000       7.81746000       1.36676161      -0.59925344       1.72435847
Zn      -0.08245000       3.26817000      17.77398000       0.50651902       0.71127212      -1.22050562
Zn      -2.84903000       4.98576000      23.63209000      -1.65799359       1.58454508      -0.00828329
Zn       3.07946000       1.51865000       4.42721000      -0.38845465       1.20161340      -0.48147691
Zn      -0.08414000       3.31045000      14.22361000       1.61373998       0.96077347      -0.97906785
Zn       0.06578000       0.09453000      13.21920000      -0.21282047      -0.35315922      -0.05413059
Zn       2.88682000       1.72832000      22.98644000       0.04349206      -0.22178303      -0.52461991
Zn      -0.19450000       3.26910000       3.62794000       0.56375034       0.68429180      -0.49964214
Zn       2.91396000       5.09157000       9.36147000       0.01470404       0.42477304       0.50218666
Zn       2.91834000       1.55359000      18.92887000      -0.05671332       0.97860572      -0.50065509
Zn       0.04434000       3.33063000      28.25090000       0.10778815       1.33513787      -0.26725874
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-543.68598869 magmom=72.0004562 free_energy=-543.68658423 stress="-0.05742859560892676 4.214990352704066e-05 -0.0017252003768597247 4.214990352704066e-05 -0.048717859446123814 0.0076815142102465515 -0.0017252003768597247 0.0076815142102465515 -0.060081375642552386" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43777000       0.80031000      15.73045000      -1.47246822      -0.85182147       1.80149367
Cr       4.28053000       0.69175000      15.88477000       1.91014378       1.86787287       0.68045385
Cr       2.83029000       3.28652000      15.88753000       3.72978710       2.32103257       1.87761032
Cr       4.28073000       2.70877000      25.31612000       0.27253806       0.29810063       0.18268624
Cr       1.32489000       2.60703000      25.49001000      -0.05125393       0.66192863      -0.50530927
Cr       2.87691000       0.20555000      25.52193000       1.32557550      -0.41974643      -1.45810862
Cr       1.77001000       4.25684000       6.52101000      -1.16865408      -2.94799368       0.77843864
Cr      -1.20407000       4.11259000       5.97140000       0.01891469      -1.80979037       2.83153415
Cr       0.39101000       1.67103000       6.58153000      -1.22032209      -2.10316114      -1.30253140
Cr       3.02769000       4.94973000      18.18131000      -1.60486964       0.24989575      -0.69930587
Cr       2.89228000       1.80983000      27.72812000       0.34168754       4.31043066       0.45464805
Cr      -0.02671000       3.47107000       8.88121000      -0.49088073      -0.36635060      -3.22821409
Cr       0.03965000       0.07971000       3.84026000       0.72334040      -1.68673891       0.78893090
Cr       2.93099000       1.65654000      13.44827000       0.99961016       0.41939151       0.65607637
Cr      -0.01035000       3.48594000      23.05278000       2.72947828      -2.21655007       0.44571001
Cr      -0.01351000       1.58166000      20.68176000      -2.95922303      -0.39939172      -0.90530847
Cr       1.33262000       4.20048000      20.61458000      -0.58397512       0.24137593       0.01406490
Cr      -1.66243000       4.03020000      20.86605000      -0.78897772       0.59578229      -1.83867461
Cr       3.20525000       3.68317000       1.42742000      -0.67100351      -0.98505211       0.19264088
Cr       1.49354000       1.16632000       1.33674000       1.49926676      -0.68095603       0.91843558
Cr       4.39919000       0.90755000       1.36037000       3.27662393      -0.53257546       0.84077453
Cr       2.97938000       0.21093000      11.08705000      -2.14815363      -3.62703080      -0.32603683
Cr       4.34015000       2.61470000      11.11704000       3.35591507      -0.54979997      -1.55532434
Cr       1.40490000       2.61139000      11.13658000       0.48289312       1.02050954       0.97751767
O        1.12341000       0.84840000      19.36932000       1.56386006      -0.83088135       0.61786531
O        4.49908000       0.78839000      19.58718000      -0.16215255      -1.23118270      -0.49169145
O        2.78975000       3.53018000      19.49468000       0.28434890      -1.10218783       0.46785597
O        4.38071000       2.57865000       0.34473000       0.26482562       0.01172810      -0.95735993
O        1.69409000       2.81179000       0.35602000       0.03231459      -0.51503978      -0.55478445
O        3.24717000       0.30938000       0.01865000      -1.38559760      -2.72671616       1.70210153
O        1.26517000       4.25981000       9.96119000       0.73351542       0.64521156       1.01427706
O       -1.32857000       4.20820000      10.04037000      -1.38243565       1.18660399      -0.02846780
O       -0.02508000       1.87195000      10.05314000      -0.66660660       0.03029907      -0.73670344
O        1.57839000       1.05617000      12.29436000      -0.47047536      -1.03211593      -0.76709631
O        4.33766000       0.93111000      12.10935000       0.81656534       0.39296473       2.12407824
O        3.15547000       3.21203000      12.26292000      -3.91670707       2.18011214       2.34754441
O       -1.21047000       2.49648000      22.01208000      -2.60734304      -0.42149346      -0.20809941
O        1.30891000       2.33047000      21.59431000       2.86100858       3.23031464       3.30292680
O       -0.27415000       4.89923000      21.87178000       1.71591152       1.53895192      -0.01925944
O        1.70127000       4.41755000       2.47528000       0.53960227       0.35891184       0.95367396
O       -1.30765000       4.73406000       2.41007000      -0.72451432      -2.26333902       1.70574244
O        0.11916000       1.55455000       2.58919000      -1.16811838       1.28907192      -0.06827583
O        1.56298000       0.71813000       5.31663000      -0.01445425       1.54828363      -2.49685793
O        4.73983000       0.46154000       5.36950000      -0.05253448       4.60278412      -3.34462534
O        3.03665000       3.37732000       5.07437000       0.51238313       0.65373029      -0.02604617
O        4.17169000       2.36562000      14.67674000       1.06131601      -0.05053877       1.16189301
O        1.63059000       2.55314000      14.83457000      -2.31698806      -2.43811595      -2.85694377
O        2.87014000       0.00941000      14.81883000       0.45742016       0.99094284      -2.09354551
O        1.40168000       4.22870000      24.44593000      -0.81373911       1.07618004      -1.08857320
O       -1.17500000       4.31183000      24.27875000      -2.12205079       0.80355450       0.00632836
O       -0.01819000       1.86549000      24.33779000      -0.78782416      -0.39187484      -0.20387473
O        2.84220000       4.94074000      21.66096000      -1.31803699       0.88280798       2.05327672
O        3.29968000       1.87022000       2.52733000      -1.64226642       1.02854845      -1.47617671
O        0.11623000       3.47585000      12.24266000      -1.52078656       0.47245384       0.16018958
O       -2.57430000       4.78502000       7.44813000      -0.27510986       1.82918488       0.15225697
O        3.19297000       1.82831000      17.10749000      -1.09021582      -1.14191515      -1.44519745
O       -0.30779000       3.66656000      26.44189000       0.73537792      -0.88342695      -2.70644942
O        0.41449000       0.05270000       0.20478000      -1.81539386       0.90384499       0.32685656
O        2.64232000       1.77488000      10.00719000       3.12865014      -0.15473606      -0.94049527
O       -0.34612000       3.57926000      19.68820000       2.78667658      -1.93965519      -0.79980141
O        0.04161000       1.39338000      16.98894000      -0.63411787       0.16667861      -0.57981424
O        1.38509000       4.22375000      16.95235000       1.75475681      -0.45578895       0.94244403
O       -1.46345000       4.17807000      16.74117000      -1.74815636       0.93507236       1.49895620
O        2.74276000       3.45168000      26.45433000       1.13385453      -1.27932837      -0.02008249
O        1.50915000       1.02031000      26.61577000      -0.19170035       0.26666439      -0.99256182
O        4.31206000       1.30974000      26.59194000      -1.43645291      -0.75864333      -2.00117928
O        0.07823000       4.89733000       7.34280000       0.77111235       0.57590226       0.41643450
O       -1.09350000       2.53652000       7.39214000       0.45787255       0.63264342      -0.14944511
O        1.44355000       2.76318000       7.75746000       0.90048663      -1.13644842      -0.94117451
Zn       5.63033000       0.13946000      26.93717000       1.85696864      -0.70077030       1.40246258
Zn       3.15840000       1.83046000       7.70445000      -1.38517723      -1.38979561       1.39150985
Zn      -0.06526000       3.19740000      17.87116000      -0.23329539      -0.17486286      -1.67428055
Zn       3.02954000       4.97365000      23.63468000      -0.82342545       1.17937118      -0.27432166
Zn       3.12387000       1.46620000       4.27593000      -0.31988133      -0.11732408       2.68584110
Zn      -0.05724000       3.28568000      14.29254000      -0.52191376      -0.13178594      -1.23421712
Zn       0.11127000       0.16323000      13.17744000      -0.86454482      -0.88664585       0.43480471
Zn       2.83203000       1.73935000      23.10825000      -0.09421205      -0.31798751      -1.44971987
Zn      -0.34170000       3.21433000       3.51720000       0.86645005       1.01505211       0.44313152
Zn       5.79795000       0.02649000       9.44381000       1.53676970      -0.09568799      -0.38526753
Zn       2.85899000       1.48119000      18.95581000      -0.09319696       0.87731806       0.15889494
Zn       0.05087000       3.34505000      28.11490000       0.32138521       0.45373887       3.91884052
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-544.68571932 magmom=72.1148512 free_energy=-544.69185268 stress="-0.05226558800251843 0.004435365531954716 0.0051641042021126965 0.004435365531954716 -0.04097861308025898 0.003911937734349444 0.0051641042021126965 0.003911937734349444 -0.04637397264160603" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41937000       0.74683000      15.72220000      -1.22498254      -1.51683074       0.98054240
Cr       4.28383000       0.64992000      16.03879000       0.64614999      -0.26941784      -3.33415141
Cr       2.78811000       3.26344000      16.05859000       2.83605014      -0.93198383      -4.08222395
Cr       4.27640000       2.80279000      25.29236000      -1.04898247      -0.87912057      -1.94165505
Cr       1.29276000       2.65975000      25.51994000      -1.16121009       2.17268663      -3.43879149
Cr       2.84113000       0.29427000      25.52679000      -2.38377729      -3.03972263      -5.98549168
Cr       1.90489000       4.13440000       6.56280000       0.00123449       2.34679723      -2.93591566
Cr      -1.13298000       3.96538000       5.89662000       1.93146927       1.76975822       2.73678270
Cr       0.48911000       1.57681000       6.55251000      -1.25174538      -0.00610898      -1.37510563
Cr       2.90844000       4.81843000      18.13024000       0.84245579       2.00320042       5.17810956
Cr       2.90845000       1.96712000      27.69514000       0.50278892      -1.65036210       0.12825452
Cr       0.04642000       3.46949000       8.84628000      -0.29817569       2.07884731      -1.02333355
Cr      -2.72278000       5.08557000       3.73391000       0.30682575       2.40267761       3.39402606
Cr       2.91684000       1.69013000      13.50266000       0.48821845       0.64359067       0.21593667
Cr       0.07983000       3.42345000      23.02712000      -2.09805862       0.43708076       0.80413757
Cr      -0.03059000       1.50719000      20.80870000      -2.19522183       0.90119151      -1.10878872
Cr       1.27913000       4.10177000      20.65392000      -0.40182062       1.38129900      -0.28095118
Cr      -1.73119000       3.98918000      20.85841000       0.24473745       1.23545684      -1.07192188
Cr       3.21384000       3.75407000       1.41733000       0.45192452      -1.42742353      -2.15600273
Cr       1.56450000       1.23744000       1.37775000       0.97881011      -1.23699166       0.52490876
Cr       4.53463000       0.95545000       1.22155000       0.84194531       0.01081954       1.85181663
Cr       2.88676000       0.19581000      11.15096000       0.27095972      -1.63118801      -0.51751385
Cr      -1.50166000       2.66601000      11.15805000      -1.18599018       0.15546653       0.95042471
Cr       1.45930000       2.61683000      11.11874000      -1.02713818       2.07025266       0.45710543
O        1.07866000       0.78757000      19.36844000      -0.08636425      -1.15226042       0.92219676
O        4.34960000       0.63100000      19.72485000       1.33596138       0.75407100      -1.70942870
O        2.71739000       3.34528000      19.57914000       1.05252990       0.40470255      -0.53895653
O        4.30871000       2.65832000       0.21130000       1.36680609      -0.52430300      -0.73142392
O        1.72197000       2.84197000       0.25531000      -0.25681884      -0.53141294       1.22276323
O        3.20760000       0.11118000       0.06880000      -0.72405705       2.86196282       0.76724038
O        1.22931000       4.41066000      10.06361000       0.71513136      -1.14581449       0.01083346
O       -1.41534000       4.25783000      10.00150000       0.51421645       0.31991072       0.02014660
O       -0.12713000       1.97598000       9.96504000       0.92256228      -1.02403691       1.05241977
O        1.55198000       1.03775000      12.22940000      -0.53954097      -0.01237608       0.07101530
O        4.26716000       0.97702000      12.38893000       1.04468406       0.29604391      -1.52715047
O        2.82814000       3.29664000      12.38967000       1.09323518       0.81182297      -0.80567144
O        4.45123000       2.47088000      22.05069000       0.48253514       0.29735199      -0.33889783
O        1.35280000       2.59518000      21.84115000      -0.15012288      -2.03579494       0.81814228
O       -0.08978000       4.93888000      21.81722000      -1.35983843      -0.24002452       0.49694769
O        1.96460000       4.52777000       2.50256000      -2.93314095       0.03436736      -0.65404820
O       -1.18750000       4.61961000       2.47963000      -1.49795701       1.10237882      -1.03937713
O        0.09661000       1.68209000       2.63462000       0.82138994      -1.25995167      -1.91782863
O        1.56647000       0.90983000       5.06320000       0.19574764      -1.92962057       0.34364445
O        4.86496000       0.80597000       5.02876000       0.28276232      -0.97445799       1.18506993
O        3.25136000       3.39321000       4.97059000      -1.05147060       0.26677891      -0.11354412
O        4.21429000       2.23788000      14.90255000       0.31713351       1.26111612      -0.62346521
O        1.52794000       2.37583000      14.63428000       0.31638609       0.25784416       2.20828503
O        2.80234000       0.05760000      14.54507000       0.59636555      -0.33613145       1.95518698
O        1.19444000       4.39206000      24.31732000       1.18112967      -0.48030243       0.87954987
O       -1.29210000       4.41579000      24.23524000      -0.60111817      -0.29322192      -0.44483434
O       -0.12246000       1.84408000      24.30325000       0.44078789       0.80315898       0.73637108
O        2.61750000       4.95486000      21.73995000       2.36331833      -0.08043322       0.69656622
O        3.20991000       2.09783000       2.35230000      -0.61416263      -2.56456276       0.49933223
O       -0.05834000       3.57326000      12.23669000      -0.09886190      -0.89317213      -0.54482964
O       -2.50271000       4.97459000       7.49129000      -0.45434310       0.21123064      -0.51410148
O        3.23961000       1.75040000      17.03019000      -2.86915777      -0.91594896       2.45578053
O       -0.40700000       3.73510000      26.30237000       2.59704735      -1.65274529       2.39375023
O        0.26319000       0.15648000       0.19978000      -0.64104602       1.67874612       0.89667556
O        2.84452000       1.88635000       9.92537000       1.02384687      -0.71140875       1.33730589
O       -0.29125000       3.46809000      19.66148000       0.24598119      -1.60881186       1.38537376
O       -0.07870000       1.26393000      16.95813000       0.85953609       1.09864160       0.31685276
O        1.50757000       4.09044000      17.12687000      -2.00405160      -0.17100157      -0.37932425
O       -1.55289000       4.16709000      16.98481000      -0.58920518       0.41885392      -0.60398586
O        2.78406000       3.43256000      26.46645000       0.11834023       0.85722278      -0.27521824
O        1.45817000       1.10986000      26.49319000      -0.69745350      -0.27206033       1.99775292
O        4.09124000       1.18629000      26.33724000       3.34574384       1.82137222       2.77241242
O        0.37829000       4.82365000       7.39901000      -1.17598829       1.67730544      -0.66562993
O       -0.91445000       2.53242000       7.48859000      -1.06053333      -0.23015917      -1.90191916
O        1.60033000       2.79525000       7.80087000       0.48406132      -2.61603813      -0.99110792
Zn       5.60574000       0.19855000      26.89389000       1.13716273      -0.14821933       0.71350305
Zn       3.25918000       1.80399000       7.64534000      -0.26246803      -1.54234313       1.88534351
Zn      -0.05183000       3.10546000      17.89158000      -0.53888994      -0.59351234      -1.61797462
Zn       2.94607000       5.02656000      23.63746000      -1.09755653       0.75077594       0.02287448
Zn       3.16874000       1.40678000       4.21329000       0.67623014       0.60784640       0.37867416
Zn      -0.05967000       3.25633000      14.30433000      -1.44846737       0.48772516      -1.31636304
Zn       0.11519000       0.19120000      13.16624000      -1.31223827      -1.21946455       0.46089753
Zn       2.76640000       1.73820000      23.19781000       0.44160348      -0.17806559      -1.52759230
Zn      -0.47192000       3.21559000       3.42727000       1.50194946       0.29166685       2.00969079
Zn       5.79809000       0.07789000       9.50700000       0.86440000      -0.00756425      -0.58978805
Zn       2.79465000       1.44832000      18.99433000       0.53713601       0.39771787      -0.00259274
Zn       0.07859000       3.38914000      28.13610000      -0.87733588       0.55463038       0.49225672
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-547.71790607 magmom=72.0626396 free_energy=-547.72461078 stress="-0.06290639440842351 -0.0010539443455097007 0.006234376897231529 -0.0010539443455097007 -0.046049990483046754 -2.664822307710459e-05 0.006234376897231529 -2.664822307710459e-05 -0.049923339188448115" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32861000       0.61712000      15.76494000       0.48451709       0.27178932       1.31086281
Cr       4.34201000       0.60554000      16.05691000      -1.95866200       0.52378507      -1.36583718
Cr       2.89231000       3.27897000      16.13065000      -0.73779416      -3.23597186      -2.55055714
Cr       4.22262000       2.82904000      25.22102000       0.32073395      -0.56037489       0.34036593
Cr       1.25493000       2.77165000      25.43599000       1.68830805      -0.66880862      -0.71174145
Cr       2.73792000       0.28234000      25.33799000       0.33155836       0.11325850       0.43650799
Cr       1.99165000       4.12747000       6.46500000      -0.28510837       0.90546946      -1.71981787
Cr      -1.00362000       3.93238000       5.96133000       0.85562799       2.95434167       0.44075215
Cr       0.51559000       1.51714000       6.43877000      -0.89268336       1.28402688      -2.96743678
Cr       2.82076000       4.76585000      18.20715000      -0.90236359       2.59648220       4.90032352
Cr       2.92953000       1.98115000      27.67867000      -0.63092498      -0.76019898      -1.15005901
Cr       0.08668000       3.54698000       8.73389000       0.30037330      -0.38992728       1.28211284
Cr       0.34338000       0.00032000       3.77901000      -2.84716655       1.51085088      -2.16537156
Cr       2.94523000       1.76009000      13.55358000      -1.04914032       0.05184503       0.01223774
Cr       0.04375000       3.40003000      23.05906000      -3.40437372       1.64728469      -0.14393560
Cr      -0.17698000       1.46576000      20.84170000      -0.34926899       0.99152397      -0.57756042
Cr       1.23072000       4.09121000      20.68618000       1.83089716       0.08791800       1.19741572
Cr      -1.76748000       4.01358000      20.79585000       1.96267003       0.97584697      -0.25508283
Cr       3.20795000       3.73788000       1.30625000      -1.24826385      -0.17217520      -0.47891758
Cr       1.69186000       1.21488000       1.38080000      -2.02147153      -2.02827824      -1.17830612
Cr       4.63874000       1.01464000       1.20841000      -2.92144490       1.45742598       3.24868978
Cr       2.82369000       0.09903000      11.16816000       1.86498969       1.85429674       0.45064918
Cr      -1.49921000       2.70169000      11.20718000      -1.35298934      -0.78928262      -0.14622819
Cr       1.45905000       2.71397000      11.13498000      -0.21626521      -0.93218466       0.69654174
O        0.98468000       0.53124000      19.52679000       2.24901776       0.34956995       0.39595481
O        4.45802000       0.54088000      19.60659000      -1.01690206       0.54153105      -0.94854340
O        2.78263000       3.31662000      19.59082000      -0.66003485      -0.34918827      -0.39517753
O       -1.47779000       2.65115000       0.02420000      -0.98854234       0.21147787       1.61646567
O        1.72658000       2.83192000       0.34172000       0.00489693       0.53067496      -0.73297005
O        3.05168000       0.38145000       0.24815000       0.21596454      -0.65976576      -1.35769656
O        1.29185000       4.35080000      10.18144000       0.41701422       0.07245567      -2.32748647
O       -1.37035000       4.31776000      10.00766000       0.15409453      -0.40793948      -1.36825130
O       -0.06383000       2.00791000      10.05690000       0.61223169       0.14355070      -1.22235697
O        1.50443000       1.05292000      12.15769000      -0.00181982       0.07580103       1.46058455
O        4.30896000       1.10340000      12.40166000       0.17145383      -0.49877575      -0.65099122
O        2.68515000       3.44712000      12.41335000       2.04069608      -0.40803830       0.25948594
O        4.34798000       2.53222000      21.96690000       1.01763910      -1.13623369       0.88563219
O        1.42339000       2.62667000      22.13112000      -0.48075232      -1.38258485      -2.22803963
O       -0.11720000       4.88088000      21.81866000      -0.75819053       0.37518774      -0.18829017
O        1.89145000       4.62718000       2.45839000      -0.37644329      -1.12752926       0.46606785
O       -1.36679000       4.63321000       2.38630000       1.34100073      -1.36830100       0.50784757
O        0.18118000       1.62380000       2.42535000      -0.80677575       2.06973535       2.27183979
O        1.61173000       0.74078000       4.96769000       2.09977223      -0.35096590       1.80292814
O        5.02519000       0.93659000       4.92250000      -0.99704768      -0.56287979       2.12673353
O        3.33213000       3.52761000       4.96549000      -0.87484200      -1.37041215       0.51068982
O        4.24814000       2.29428000      14.99286000      -0.03335504       0.69667114      -0.22750640
O        1.52742000       2.23099000      14.81139000      -0.60751045       2.26480291       0.00620886
O        2.84890000       0.12876000      14.66089000       0.79856614      -1.69531570       0.63232938
O        1.14709000       4.43094000      24.30175000       0.80983293      -0.15989595       0.04113908
O       -1.43623000       4.42528000      24.15277000       0.54785974      -0.18829991       0.18206255
O       -0.14281000       1.98575000      24.35677000       0.04671561      -1.30416096      -0.59640003
O        2.76870000       4.96444000      21.79477000      -0.49689797      -0.81889672      -0.37428414
O        3.10373000       1.96461000       2.22442000       2.66893292       0.80203417       3.15724385
O       -0.17927000       3.53861000      12.16381000       2.05640198       0.30223512       2.26649122
O        0.38291000       0.02575000       7.46508000      -0.24761344      -1.99318791       0.82724096
O        2.89075000       1.52224000      17.16454000       0.10330001      -0.04946135      -2.32840809
O       -0.16193000       3.62062000      26.25126000      -1.10323629       1.10790796       1.87153936
O        0.11899000       0.40134000       0.32143000       2.98157827      -2.48254918      -2.81907960
O        3.15826000       1.83972000      10.12773000      -2.63746878      -0.64311232      -1.11258891
O       -0.18250000       3.12090000      19.84573000      -0.71845995       0.41260727      -1.91883889
O       -0.04480000       1.29297000      16.99037000      -0.52784604      -0.40121006       0.62725278
O        1.35637000       3.96056000      17.17440000       1.43371633       1.70490401      -1.58328132
O       -1.69823000       4.25895000      17.08546000       1.78505962      -1.71547194      -0.54232487
O        2.83087000       3.50818000      26.39097000      -0.73420943       0.15043666       0.23341621
O        1.35612000       1.17395000      26.55759000       1.89356349       0.47440990      -0.59708828
O        4.17217000       1.31246000      26.35428000      -0.79716219      -1.88660556       0.08121745
O        0.47269000       4.94890000       7.34814000      -0.66179045      -1.07732275      -0.38007026
O       -0.84482000       2.56692000       7.28951000      -1.30245305      -0.35861944       0.78193082
O        1.69389000       2.51219000       7.60980000      -0.77798495       1.62933582      -0.26577179
Zn       5.65539000       0.22324000      26.90807000       0.12731932       0.16129614       0.89204156
Zn       3.32757000       1.70574000       7.67388000       1.27118659      -0.45610219       1.70090945
Zn      -0.06728000       3.00662000      17.84547000      -1.36107581      -0.00562335       0.93695491
Zn       5.77530000       0.00084000      23.65509000      -0.82866407       1.14730847       0.42438798
Zn       3.23404000       1.37705000       4.19495000       0.59680245       0.66815388      -0.41808939
Zn      -0.12269000       3.24623000      14.25216000       0.60633966       0.53057844      -0.68883015
Zn       0.05958000       0.15903000      13.19281000      -0.74788061      -0.32563045       0.25667329
Zn       2.73686000       1.72887000      23.21734000       0.84837888       0.02432689      -1.33891974
Zn      -0.50551000       3.23149000       3.44104000       2.06808739      -0.60147198      -0.25187128
Zn      -0.06223000       0.11997000       9.51746000       0.19649680       0.30923371      -0.25906110
Zn       2.75962000       1.43832000      19.02853000      -0.28043099      -0.48720024       1.23970664
Zn       0.08979000       3.45334000      28.22603000       0.83971561       1.82758231      -0.24636629
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.73586753 magmom=70.1012886 free_energy=-550.74232491 stress="-0.03257755174578566 -0.004103409789313536 0.00015150780310275265 -0.004103409789313536 -0.04257542487790121 0.006650944447484976 0.00015150780310275265 0.006650944447484976 -0.0432413099470937" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.28817000       0.54094000      15.85136000       1.56553362       1.31502949       0.03333368
Cr       4.33018000       0.58099000      16.04332000      -1.14442506       1.69306355      -1.50307793
Cr       2.92123000       3.21419000      16.16379000      -1.68530777      -1.69654275      -1.83064279
Cr       4.17658000       2.79579000      25.21002000       1.40360120      -1.02505531       1.53718850
Cr       1.30838000       2.81669000      25.37735000      -0.40560527      -0.47551548      -0.17337850
Cr       2.67462000       0.28313000      25.23785000       2.17308289      -0.32111202       2.08394121
Cr       2.02925000       4.15722000       6.31870000      -1.39184139       0.32219909      -0.01385418
Cr      -0.88902000       4.04096000       6.01970000      -1.42632056      -0.51513631       0.28152511
Cr       0.49100000       1.53579000       6.24923000      -0.45219855       0.69742063       1.46258839
Cr       2.72946000       4.79139000      18.32638000       2.22178549       0.62719899      -0.13999538
Cr       2.91003000       1.94132000      27.64710000       0.71586812       1.23282375      -1.28600529
Cr       0.13011000       3.58069000       8.69272000      -0.00088551      -2.31150181      -0.53265603
Cr       0.29852000       0.09381000       3.75540000      -0.49106213      -0.85392605      -0.65723734
Cr       2.92396000       1.81113000      13.59468000      -0.73706236      -1.03489620       1.35899726
Cr      -0.13238000       3.45274000      23.06027000       0.81238281      -1.07267639      -1.04643977
Cr      -0.29292000       1.46557000      20.82568000       2.52487798      -0.43008365      -0.66339703
Cr       1.26973000       4.08867000      20.75062000       0.17035941      -1.51397949      -0.67168874
Cr      -1.69874000       4.05289000      20.73599000       1.10274198      -2.06821803       0.32675429
Cr       3.14490000       3.71071000       1.19830000       0.05805950       0.79251236       2.68624596
Cr       1.71553000       1.13623000       1.32479000      -1.47931228      -0.05610510       1.76099070
Cr       4.61831000       1.09521000       1.32638000       0.87244074      -1.13534258      -0.16278180
Cr       2.86228000       0.10583000      11.19214000       1.28553987       0.40208887       0.42330843
Cr      -1.54356000       2.69482000      11.22074000       1.53225600       0.52994745      -1.07773561
Cr       1.45278000       2.74630000      11.18667000       0.55125354      -1.15366871       0.47624683
O        1.16399000       0.43943000      19.67364000      -0.81009241       1.76125030      -1.39287581
O        4.43803000       0.54408000      19.45969000      -1.34833329       0.25816625       1.61900392
O        2.74298000       3.30861000      19.57310000      -0.29133067      -0.58086536       0.50759329
O       -1.52007000       2.66484000       0.12880000       0.38385376       0.15066480      -0.06403162
O        1.71259000       2.87241000       0.32446000      -0.13218781      -1.51625854      -0.69315373
O        3.04923000       0.45229000       0.18181000       1.03350652      -1.29789872       0.21680236
O        1.36125000       4.27964000       9.97515000       0.18491453       1.08721997       0.67991352
O       -1.24714000       4.28805000       9.90501000      -1.13216256       0.25501730       0.42316650
O        0.04956000       2.08297000      10.01512000      -0.83717138      -0.91046032      -0.23717649
O        1.54289000       1.09554000      12.30597000       0.02507406      -0.41865236       0.29189751
O        4.31344000       1.13856000      12.30458000      -0.27022528      -1.34826709       1.04884575
O        2.90423000       3.41675000      12.41298000       0.18497171      -0.06058298      -0.27057682
O        4.46360000       2.46832000      21.98892000      -1.60650814      -0.24428601       0.46627611
O        1.28135000       2.46595000      22.00152000      -0.83359929       0.25995091      -0.34371258
O       -0.23388000       4.83025000      21.78270000       0.82487432       1.31539638      -0.11863013
O        1.81387000       4.57948000       2.42816000       0.64280971       0.32681751       0.48475606
O       -1.39757000       4.53736000       2.32399000       0.52630700       0.13171887       0.78265170
O        0.17993000       1.77476000       2.49635000       0.68434382      -1.35628084      -0.17824412
O        1.85235000       0.53154000       5.13641000      -0.70486215       2.43999996      -1.81675790
O        5.02328000       0.86760000       5.11283000      -1.02875153      -1.55841559      -0.71110685
O        3.29327000       3.50558000       5.04824000       0.84370121      -0.29263527      -1.18508113
O        4.21194000       2.39818000      14.99600000       0.53445732      -0.79116806      -0.61860543
O        1.47936000       2.40351000      14.98526000       0.44198308      -0.77497124      -1.33668787
O        0.01106000       5.09151000      14.87797000      -1.22001048       0.67153396      -1.72972203
O        1.15972000       4.39576000      24.29348000      -0.77253788       0.29358582      -0.72917306
O       -1.45061000       4.37871000      24.13561000      -1.41028028       0.48938227       0.08298524
O       -0.14370000       1.96966000      24.32607000      -0.18203228      -0.38335361       0.30894815
O        2.80614000       4.86569000      21.74012000      -1.36089443       0.37022898       1.22425380
O        3.29173000       1.90363000       2.45687000      -1.23237312       0.92504936      -1.95724346
O       -0.00520000       3.53217000      12.31393000      -0.39323163       0.12054975      -1.40367840
O       -2.66408000       5.04449000       7.49247000       0.63444119       0.46241178      -0.88188719
O        2.66003000       1.37056000      16.96822000       1.62776759       0.82957421       1.48972866
O       -0.06333000       3.66548000      26.42542000      -1.27172932       0.45483359      -1.68554949
O        0.29319000       0.28191000       0.17369000      -0.79694159       0.26907615       1.18361929
O        3.00140000       1.73704000      10.20043000      -0.54752578       1.08544030      -1.49023912
O       -0.18429000       3.00964000      19.74020000       0.05076243       1.92759702       0.10147978
O       -0.06464000       1.21634000      17.09989000      -0.44151316      -0.20012701       0.12065073
O        1.38780000       4.07815000      17.00886000       0.56362109      -0.64715669       1.99323468
O       -1.56835000       4.12600000      17.10502000      -1.07524793      -0.33448504       0.83364152
O        2.78582000       3.56879000      26.31134000       0.53053216      -0.36748780       0.75514858
O        1.53301000       1.25937000      26.46330000      -0.96283307      -1.12301593      -0.11843118
O        4.16005000       1.20140000      26.38200000      -0.73787566      -0.27712664      -0.92794036
O        0.42338000       4.85167000       7.24766000      -0.02076908       0.67929575       0.12324948
O       -0.95604000       2.56270000       7.20946000       0.64657224      -0.38876645       1.03538880
O        1.62923000       2.55128000       7.39592000       1.42242727       0.34118956       0.69671350
Zn       5.70705000       0.25061000      26.95638000       0.56472686       0.58666166      -0.18948571
Zn       3.41233000       1.61553000       7.76267000      -1.27813159       0.27891855       0.88177536
Zn      -0.12717000       2.95158000      17.83420000       0.19024531       1.18765244      -0.70029215
Zn       5.66187000       0.11095000      23.68221000       0.82328501       0.57695302      -0.71126135
Zn       3.31038000       1.38496000       4.18831000       0.12317022       0.24000347       2.22788696
Zn      -0.14377000       3.26210000      14.18913000       0.62612326       0.01358379       0.73358898
Zn      -0.01236000       0.12126000      13.23592000      -0.20450495       0.21672626       0.57052235
Zn       2.75320000       1.72605000      23.17716000      -0.03010812       0.48022347      -2.04523984
Zn      -0.43532000       3.22538000       3.48030000       1.16837686       1.24819208       0.98387389
Zn      -0.01817000       0.16285000       9.49633000       0.85357852       0.27867673      -0.51495721
Zn       2.72266000       1.41323000      19.08095000      -0.19169101       0.01315135      -0.93940231
Zn       0.11931000       3.57541000      28.28954000      -0.78673341       0.89704367       0.45131689
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.27524845 magmom=72.0029003 free_energy=-553.27524845 stress="-0.04124654420871699 -0.005914841058701836 -0.0008249736220342682 -0.005914841058701836 -0.04361761691735703 -0.0030764804554062313 -0.0008249736220342682 -0.0030764804554062313 -0.03911808171854707" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33280000       0.54659000      15.94108000      -0.14837626       0.17276608      -0.44717257
Cr       4.27684000       0.61216000      16.00107000       0.87526891      -0.32171047      -0.82406416
Cr       2.85216000       3.12448000      16.17652000      -0.19731545       0.70922238      -1.98020152
Cr       4.20062000       2.71931000      25.30734000       1.39759866       1.48728523      -1.19607928
Cr       1.34801000       2.82173000      25.35073000      -1.62465507      -0.03936436      -1.12770628
Cr       2.73092000       0.25631000      25.26931000      -1.21568114      -1.56538417      -2.02754029
Cr       1.99381000       4.17686000       6.20502000      -0.67838989      -1.83504947       0.84264066
Cr      -0.89214000       4.11879000       6.05180000      -3.03937593      -0.30973324      -0.60517828
Cr       0.44193000       1.59916000       6.17102000       0.40806861       0.17876276       1.37276996
Cr       2.75222000       4.80565000      18.38120000       0.39765428      -0.11832380       1.06382245
Cr       2.91647000       1.96221000      27.59974000       1.04640964      -0.80460554      -0.04188385
Cr       0.16912000       3.48799000       8.64603000       0.79105712      -0.37127375       0.68304417
Cr       0.22354000       0.11657000       3.68848000       2.31760704      -2.00880418       2.11936176
Cr       2.86718000       1.79387000      13.68559000       1.18837799      -1.42920282      -1.76395022
Cr      -0.25523000       3.45159000      23.00028000       0.15256056      -0.60373455       0.29396899
Cr      -0.26340000       1.45034000      20.77538000      -0.46435190      -0.24295826      -0.71529070
Cr       1.30484000       4.00996000      20.76872000      -1.27809299       0.45871142      -1.27605965
Cr      -1.60068000       4.02485000      20.68697000      -2.52838443       0.62090718       0.80975518
Cr       3.07988000       3.69951000       1.22469000       0.81735106      -1.43263559       2.65563026
Cr       1.67635000       1.07856000       1.30513000       1.24184038      -0.71143458       1.70842245
Cr       4.63178000       1.10623000       1.41525000       0.64805892      -0.56228112      -1.59249344
Cr       2.95641000       0.15510000      11.21535000      -0.51239889      -0.48782852      -1.38140230
Cr      -1.49690000       2.69533000      11.16672000       0.84901730      -0.70292879      -0.99335289
Cr       1.47713000       2.69772000      11.24460000       0.92440496      -0.24497956      -1.39379560
O        1.12004000       0.56499000      19.62773000      -1.04404723      -0.72526249      -0.00008897
O        4.31211000       0.53032000      19.56683000       0.97215967      -0.17342944       0.00559300
O        2.66750000       3.26710000      19.60433000       1.24543869      -0.07239278       0.11639186
O       -1.50817000       2.67929000       0.22607000       0.53546293       0.05353857      -1.44925039
O        1.67706000       2.69051000       0.23482000      -0.28621597       0.66429724       0.14008840
O        3.24517000       0.35554000       0.15137000      -0.73824802       2.04005180       0.85836252
O        1.38088000       4.36771000       9.92125000      -0.09453647      -0.09318740       0.98462082
O       -1.26189000       4.27592000       9.91811000      -0.16716212       0.02494340       0.15283091
O        0.02281000       2.04801000       9.97979000      -0.12270155      -0.30486167       0.43639067
O        1.62332000       1.07612000      12.43833000      -1.43630909      -0.51790824      -1.04994252
O        4.23756000       1.01150000      12.36682000       1.08357784       0.54662442       0.24001626
O        3.09960000       3.31641000      12.38300000      -1.78253333       1.21121054       0.71569909
O        4.36737000       2.37865000      22.01650000      -0.95709672       0.45217230      -1.04434972
O        0.97779000       2.41662000      21.80269000       2.11185307       0.10365969       2.23335863
O       -0.20220000       4.89720000      21.71468000      -0.14755668       0.24776988       0.78277748
O        1.90021000       4.60789000       2.47357000      -1.76675193      -0.64435285      -0.16974202
O       -1.37138000       4.49846000       2.40111000       0.12454804       0.19029854      -0.20458106
O        0.25591000       1.66294000       2.55255000      -0.22907106       1.34531118      -0.33047606
O        1.89033000       0.69176000       5.06980000      -2.10996272      -0.16640493      -0.37118809
O        4.91142000       0.58925000       5.16373000       0.18297743       2.53563398      -1.97329617
O        3.38931000       3.48068000       4.98770000       0.36014277       0.06024476      -0.81084473
O        4.20195000       2.34176000      14.93161000       1.19334920       0.23913321       0.75751360
O        1.54339000       2.39808000      14.90648000      -1.60949638      -0.32567250       0.46893994
O        2.86614000       0.02526000      14.80534000      -0.48815262       0.00023544      -0.43107124
O        1.02962000       4.35254000      24.16094000       1.14324915       0.33265931      -0.00168746
O       -1.61051000       4.36057000      24.17466000       0.24105475      -0.04293072       0.31705265
O       -0.16770000       1.96245000      24.35491000       0.18686291       0.61302203       0.04720383
O        2.65829000       4.83350000      21.79020000       1.58486027       0.64380889      -0.02434119
O        3.27024000       1.99538000       2.36167000      -1.52915446      -0.47303435       0.73134458
O        0.08516000       3.54473000      12.20596000      -1.36214553      -0.10667172       0.83898775
O       -2.66329000       5.04488000       7.32769000       1.38040198       0.75596033      -0.08312891
O        2.76290000       1.39617000      16.97503000       0.22752565      -0.22573739       1.84304916
O       -0.19217000       3.74684000      26.28926000       0.10950966      -1.48671298       1.17867160
O        0.31148000       0.19131000       0.27137000      -1.24227374       1.34533689      -0.94158795
O        2.77624000       1.79212000      10.07031000       1.96975376       0.04609742       0.04677890
O       -0.19522000       3.24590000      19.69132000       0.21413580      -1.28681543      -0.19114657
O       -0.11424000       1.11314000      17.14878000       0.10703090       2.21453572      -0.69756155
O        1.48720000       4.10207000      17.10438000      -1.40622819      -0.88483407       0.37691164
O       -1.67971000       4.00861000      17.17782000      -0.11862524       0.82364841       0.07360108
O        2.82455000       3.54372000      26.34975000      -0.39007024       0.14437446       1.10398752
O        1.51464000       1.19267000      26.37374000      -0.76174474       0.46282556       1.43059473
O        4.04767000       1.07386000      26.26318000       2.41059643       0.39029904       1.86642455
O        0.38920000       4.81174000       7.21040000       0.88108930       1.42934860       1.09843509
O       -0.90319000       2.54606000       7.29788000      -0.38181580      -0.24029671      -0.47720307
O        1.75902000       2.64787000       7.29905000      -0.39182413      -1.60446100       0.75995034
Zn      -0.12605000       0.30009000      26.99101000      -0.12546512       0.07957925      -0.23982856
Zn       3.42101000       1.56011000       7.88212000      -1.23926205       0.63995203       0.64298018
Zn      -0.16866000       2.96013000      17.80101000       0.62848659       0.50812084      -0.49031570
Zn       5.60130000       0.22167000      23.67551000       0.28976356      -0.81323174      -0.65832151
Zn       3.38422000       1.41751000       4.26632000       0.15649753       1.63344267      -0.01996880
Zn      -0.12850000       3.27843000      14.16355000       0.26247949      -0.01213583       0.05558095
Zn       5.82113000       0.09865000      13.30733000       0.21326819      -0.19779064       0.16908914
Zn       2.77182000       1.74691000      23.06256000      -0.39418013       0.04627782      -1.21645872
Zn      -0.31363000       3.27555000       3.56344000       0.99562510       0.53802347       0.60680509
Zn       0.06024000       0.20760000       9.44369000       0.54381398      -0.74146246      -0.69625795
Zn       2.69111000       1.39897000      19.08563000       0.55352564       0.39400954      -0.71503027
Zn       0.11171000       3.71131000      28.34808000      -0.95466251      -1.45228216      -0.97560761
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.19511813 magmom=72.0004785 free_energy=-552.19512355 stress="-0.03374545737847781 -0.0006869601364239306 0.003712529706637447 -0.0006869601364239306 -0.033660906718930454 -0.0017612934887234627 0.003712529706637447 -0.0017612934887234627 -0.03526519771071671" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36444000       0.56860000      16.02833000      -1.20340382       0.50639268      -0.10303526
Cr       4.27589000       0.62228000      15.93724000       0.96599621      -1.32911752       1.23748166
Cr       2.75046000       3.10497000      16.14658000       0.26635595       0.61940878      -0.51286666
Cr       4.25859000       2.69682000      25.42518000      -1.33156650       0.83560046      -1.86058846
Cr       1.32165000       2.81008000      25.31069000       0.59434990       0.09975585       0.41663444
Cr       2.74932000       0.16555000      25.24766000      -0.86607850       0.62617518      -0.08680123
Cr       1.91256000       4.11446000       6.14497000       0.19392299       0.86919374      -0.36614859
Cr      -1.06095000       4.17738000       6.06306000       0.84775356       1.28068999       0.48516635
Cr       0.41745000       1.69428000       6.18471000      -0.44858763      -0.21597978      -1.59077401
Cr       2.79485000       4.77601000      18.46183000      -3.23278489       0.44097315      -2.39397084
Cr       2.98240000       1.96609000      27.55231000      -0.43479404      -0.74492530       2.46257015
Cr       0.25691000       3.36346000       8.64018000       0.64785658       1.96127112       0.82161971
Cr       0.26520000       0.02541000       3.70169000       0.45006950       0.49202483      -1.23382009
Cr       2.86537000       1.69853000      13.66725000       0.30188166       0.91250857      -1.99067809
Cr      -0.36886000       3.41320000      22.94975000       0.10057350       0.51270619       1.10157122
Cr      -0.23898000       1.43265000      20.69508000      -1.82157976       2.24926722       2.29030994
Cr       1.28385000       3.95044000      20.72237000      -0.30862994       1.34411678       1.65698223
Cr      -1.65426000       4.04617000      20.65365000      -0.55500580       0.79319179       1.92593125
Cr       3.05377000       3.60744000       1.36661000      -0.03768626       0.29068493      -1.56767859
Cr       1.70978000       0.99799000       1.32992000      -1.21254530       0.72058642       0.17553068
Cr       4.67649000       1.09449000       1.42202000      -0.65052916       1.41677550       0.09917297
Cr       3.02839000       0.17885000      11.16827000      -1.55649717      -1.11483501       0.20875184
Cr      -1.41196000       2.67145000      11.06933000      -2.08968836      -0.00406200       2.29510995
Cr       1.54672000       2.63156000      11.23100000      -0.84771207       1.39711978      -0.15184713
O        0.94942000       0.59028000      19.57137000       4.07581401       0.26807783      -0.23732076
O        4.35598000       0.46119000      19.67598000      -0.64146116       0.40994796      -1.70686281
O        2.77773000       3.24341000      19.66890000      -0.20902650      -0.31826447      -0.77039474
O       -1.41766000       2.68486000       0.09926000      -1.22221881       0.23200145       0.99444999
O        1.59449000       2.60700000       0.19578000       1.06061752       1.15984101       0.40921941
O        3.28806000       0.55422000       0.27352000      -1.64190527      -2.54455018      -1.47936502
O        1.36732000       4.40919000      10.07319000       1.42596524      -1.08123013      -1.39179227
O       -1.27398000       4.25104000       9.98559000       0.51285265       0.57835237      -1.51450989
O        0.00495000       1.98414000      10.02137000       1.32171017      -0.56372661      -1.04874374
O        1.53863000       1.01073000      12.35360000       0.19528642       0.01624545      -0.35624728
O        4.27394000       0.97916000      12.44526000       0.28583693       0.72178418      -0.71428020
O        2.98593000       3.33716000      12.42082000      -0.05712225      -0.25442797      -0.25136157
O        4.17354000       2.43414000      21.80194000       1.57761103       0.33224258      -0.21613687
O        0.97327000       2.43052000      21.93220000       0.97155976      -0.45637742      -0.31291478
O       -0.20145000       4.90575000      21.74702000      -0.54487141      -0.09077885      -0.63152591
O        1.77599000       4.56468000       2.50640000      -0.42846447      -0.67657076       0.47605151
O       -1.36909000       4.49836000       2.45939000       0.74760114      -1.37173269      -0.06279357
O        0.29198000       1.65217000       2.54933000      -1.00411477       1.07600990       1.20592300
O        1.54670000       0.88713000       4.90093000       2.71668305      -0.84251297       0.36939186
O        4.87586000       0.60773000       4.94261000       0.36613266       0.20054674       2.48136138
O        3.53610000       3.50589000       4.82028000      -1.40423164      -0.74132347       1.09000846
O        4.30997000       2.27774000      14.98478000      -1.15915142       0.89194815      -0.45692504
O        1.42062000       2.26709000      14.89323000       0.20263241       0.39823095       0.48225030
O        2.67721000       0.10476000      14.68060000       1.40878365      -1.91491032       1.31424559
O        1.02242000       4.32446000      24.03373000       0.52954391       0.17236668       0.75304262
O       -1.69775000       4.31163000      24.27706000       0.40190548       0.46198315      -0.64466134
O       -0.17033000       2.09010000      24.35723000      -0.41896563      -1.95750076      -1.09908844
O        2.73500000       4.91940000      21.73466000       0.28779429      -0.54785395       0.14018769
O        3.01231000       1.96943000       2.30864000       1.89194785      -0.80732485       2.48489892
O       -0.04228000       3.51854000      12.12642000       0.99438801      -0.11320829       1.19970005
O        0.48338000       0.03063000       7.06352000      -0.83804586      -1.41223189       1.94722957
O        2.95870000       1.43581000      17.21242000      -0.99917094      -0.23074210      -2.46677977
O       -0.26898000       3.60602000      26.26684000       2.03128689       0.93655206       1.94039552
O        0.10705000       0.27641000       0.36065000       1.08243839      -1.32402363      -0.48926455
O        2.93462000       1.87262000       9.99817000       0.74839177      -0.57017315       0.49110865
O       -0.19499000       3.26392000      19.68481000      -0.20501471      -1.41486227      -0.96634044
O       -0.13253000       1.27792000      17.06620000      -0.31295064      -1.62031512       0.25258706
O        1.37403000       3.97820000      17.25781000       1.00447743       1.01034072      -1.59850287
O       -1.84664000       4.07702000      17.19533000       1.48578014      -0.31046743      -0.54856009
O        2.80216000       3.54566000      26.51642000      -0.26035655      -0.29082695      -1.48124383
O        1.45109000       1.20844000      26.45347000       2.27377257       0.33240523      -0.86711703
O        4.26216000       0.97545000      26.34309000      -2.25958663       0.76659520      -0.71993172
O        0.47321000       4.91092000       7.31140000      -0.31730673      -1.34155172      -0.43801181
O       -0.86852000       2.55414000       7.29792000      -1.73441313       0.36964747       0.39180014
O        1.80199000       2.51754000       7.29517000      -0.57615637       0.63272454       0.69025230
Zn      -0.06763000       0.34837000      27.02279000       0.30110848      -1.27563040       1.20204871
Zn       3.35794000       1.54143000       8.05167000      -0.08728741       0.89492618       0.32801626
Zn      -0.18267000       3.00984000      17.73607000      -0.70613989       0.88267086       0.59956162
Zn       5.56031000       0.30156000      23.63726000       0.59079287      -0.80890182      -0.11505347
Zn       3.44669000       1.53555000       4.36069000      -2.65467405       1.12930006      -1.47625385
Zn      -0.09688000       3.29617000      14.14354000      -0.10264968       0.08125679      -0.32031882
Zn       5.76118000       0.06348000      13.40318000       0.50673156      -0.48065202      -0.11152848
Zn       2.76112000       1.77030000      22.89079000      -0.99322329      -0.52729776       0.45245217
Zn      -0.12393000       3.36979000       3.69405000       1.26261274      -0.03561431      -1.16097496
Zn       0.17412000       0.21278000       9.34553000      -0.30304640      -1.37192976      -0.21326062
Zn       2.68709000       1.40164000      19.05838000       0.44012263      -0.41983810       1.30393504
Zn       0.05766000       3.80032000      28.36685000       0.60770329      -0.19816874      -0.45067476
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.9243188 magmom=72.0016192 free_energy=-550.9243188 stress="-0.0259756081631122 -0.0017246475227058813 -0.0005844773839805616 -0.0017246475227058813 -0.04103544059778606 -0.0023368550079893914 -0.0005844773839805616 -0.0023368550079893914 -0.03630337984894406" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32106000       0.61357000      16.11317000       0.99929429      -0.35237667      -1.90863230
Cr       4.34547000       0.56184000      15.93418000      -1.71482938       0.30235048      -1.22730724
Cr       2.66136000       3.15038000      16.10298000       2.92927441      -1.03173440      -2.04311631
Cr       4.21450000       2.70968000      25.55211000       2.27547367       1.51759033      -4.61969917
Cr       1.33075000       2.78400000      25.30749000      -0.07633535      -0.09115403      -1.02118844
Cr       2.71808000       0.11537000      25.22806000       1.59911162       0.52439454       0.03828921
Cr       1.82232000       4.07764000       6.09076000       1.06318365       1.63170818       0.39121647
Cr      -1.19141000       4.28629000       6.09433000       3.21371828      -0.74661953       0.27013958
Cr       0.36545000       1.77660000       6.14123000      -1.52982703      -1.69513468      -0.38127952
Cr       2.71938000       4.73961000      18.46774000       0.95717172       1.51352878      -3.30535618
Cr       3.07130000       1.96328000      27.55360000      -2.89202448      -0.49562118       3.79367568
Cr       0.38924000       3.34040000       8.68405000      -1.51281083       1.22021806      -1.44211734
Cr      -2.60783000       5.05854000       3.67999000      -2.14762700       2.09563970       0.14227304
Cr       2.88328000       1.61549000      13.52140000      -0.95332908       0.50064738       2.31824629
Cr      -0.47037000       3.39914000      22.95031000       2.22803943       0.35548954       1.10463652
Cr      -0.30038000       1.50463000      20.67943000       1.75562209      -0.34216012      -0.04644498
Cr       1.24611000       3.97694000      20.70490000      -0.50552443      -0.25682050       0.92377730
Cr      -1.77974000       4.14734000      20.63511000       3.95367358      -0.98350425      -0.62132740
Cr       3.02275000       3.48138000       1.44881000      -0.22978663       1.09602625      -0.13600312
Cr       1.69038000       0.96212000       1.38310000      -1.71681364       0.89552744       1.25878378
Cr       4.67352000       1.14217000       1.42859000      -1.96865510      -0.95854977       1.03900545
Cr       3.03170000       0.11606000      11.10886000       0.37268114      -1.09415562       0.45975831
Cr      -1.39461000       2.66188000      11.08561000       1.49307720       0.81980277       1.87800064
Cr       1.57597000       2.63275000      11.19522000      -1.27570205       0.15903494      -0.65933442
O        1.23830000       0.61936000      19.52735000      -4.15080597      -1.30162873       0.55126054
O        4.34457000       0.45696000      19.55578000      -0.04846870       0.16503354       0.41032436
O        2.83274000       3.18557000      19.63475000      -1.77612082       1.10370295      -0.48269282
O       -1.54797000       2.70173000       0.15095000       1.16096104       0.16869106       1.01965949
O        1.70399000       2.72355000       0.26345000      -0.52584859      -0.92583021      -0.05514807
O        3.08997000       0.45477000       0.21598000       1.11590969       1.52038248       0.36897625
O        1.54030000       4.25836000      10.04512000       0.39538846       0.42290737      -0.69192276
O       -1.13634000       4.25347000       9.85096000       0.52727205      -0.35284186      -0.05143209
O        0.17913000       1.90912000       9.94801000      -0.52885885      -0.14232984       0.32310318
O        1.53374000       0.97334000      12.16566000       0.65184361      -0.80685137       0.76444326
O        4.31876000       1.09821000      12.36204000       0.32365626      -0.91971352      -0.50417163
O        2.81940000       3.28551000      12.42067000       1.87016828       0.62226825       0.51272304
O        4.29085000       2.54361000      21.59182000      -1.31124800      -1.68417236       2.72256706
O        1.09950000       2.46381000      22.03266000      -1.52720447       0.41319764      -2.09325109
O       -0.29506000       4.81189000      21.70368000       0.80361114       1.35121524      -0.32282064
O        1.62202000       4.42794000       2.55126000       1.43414359       0.56543617       0.33865763
O       -1.32666000       4.31641000       2.44676000      -0.04385060       0.46468703      -0.11266958
O        0.13933000       1.77225000       2.67403000       0.54135074      -1.31914300      -0.61590573
O        1.57385000       0.90824000       4.83173000       1.65937472      -0.66769092       1.47313898
O        4.96380000       0.71099000       5.06065000      -0.99359266      -0.23705238      -0.15836003
O        3.43290000       3.51245000       4.87133000      -1.02829568       0.87269577       1.10931406
O        4.17908000       2.30305000      14.99237000      -0.18784517       0.21705936      -1.38302944
O        1.34703000       2.18496000      14.99861000       0.42064728       1.08212491      -1.46858399
O       -0.21875000       5.08029000      14.80977000       0.62178846       0.54518980      -0.14495397
O        1.06041000       4.29036000      24.07712000      -0.23720991       0.08938199      -0.09915677
O       -1.63976000       4.30409000      24.29089000      -0.90311279       0.10896197      -0.40372202
O       -0.23784000       2.00879000      24.24011000      -0.18062867       0.54294650       1.94636965
O        2.83511000       4.95361000      21.66641000      -2.48119937       0.11174922       1.49226601
O        3.02927000       1.79791000       2.55709000       0.83333141       0.35966254      -2.15749019
O       -0.02341000       3.46844000      12.19249000       0.96143736       0.50230601      -0.63510678
O       -2.46212000       5.10754000       7.10672000      -2.31153008       0.65852625       1.74399612
O        2.95468000       1.43608000      17.02475000      -1.37591795      -0.09637228       0.92717260
O       -0.05041000       3.54186000      26.47551000      -1.05575383       0.24523532      -1.44173083
O        0.06411000       0.15846000       0.40651000       1.21147483      -0.01421696      -0.19110265
O        3.24279000       1.81478000      10.08898000      -2.77982410      -0.95528975      -0.53779392
O       -0.19790000       3.03427000      19.60561000       0.24555853       2.02462853      -0.13049108
O       -0.21231000       1.19895000      17.04037000       0.54838857       0.91239379       2.42882307
O        1.40786000       4.04407000      17.12400000      -0.99604134       0.54788500       1.01155638
O       -1.79559000       4.12920000      17.13561000      -0.38955169      -1.13382558       0.73913166
O        2.72938000       3.53688000      26.42731000       0.75311037       0.82252589       0.25989534
O        1.72122000       1.25163000      26.38182000      -2.68832343      -1.45086181       0.81409241
O        4.19463000       0.99488000      26.32773000       0.96721752      -0.72839105       0.20139498
O        0.50609000       4.77431000       7.31984000      -1.10472750       1.43284875       0.16867429
O       -1.07846000       2.65425000       7.28473000       0.57002905      -0.32320016       0.39588164
O        1.67902000       2.48132000       7.35241000       0.80390165       0.57182981       0.52699938
Zn       0.00818000       0.34328000      27.11005000       0.08760900      -0.24047749      -0.44587941
Zn       3.27776000       1.56434000       8.24964000       0.48792588      -0.01519444      -2.37785580
Zn      -0.23059000       3.10931000      17.67479000      -0.17033587      -0.37322996      -0.24127681
Zn       5.54510000       0.33230000      23.58040000       0.32509178      -2.40683653      -0.24058968
Zn       3.39694000       1.72149000       4.40619000      -0.11816542      -1.82790983       0.23293426
Zn      -0.06541000       3.31427000      14.10841000      -0.50954944      -0.94614957       0.76916052
Zn       2.76887000       5.10812000      13.51245000       0.21111035      -0.23489316      -0.31989038
Zn       2.70395000       1.76608000      22.72329000       0.63318226      -0.73926101       0.77721978
Zn       0.16450000       3.47932000       3.80934000       0.63692101      -0.01705990      -1.20803380
Zn       0.28707000       0.14006000       9.21696000      -0.59643867      -0.83426081      -0.28523553
Zn       2.72631000       1.39275000      19.06070000       2.35042575       0.74846720      -1.58856764
Zn       0.01991000       3.86424000      28.36286000       0.55056280      -3.08338351       0.15313330
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.76479939 magmom=72.0021897 free_energy=-549.76479939 stress="-0.041696794200281474 -0.0016349524240916948 -0.004157526307351794 -0.0016349524240916948 -0.04112192454606064 0.0018881000451058387 -0.004157526307351794 0.0018881000451058387 -0.0529142755170579" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.28957000       0.63625000      16.10152000      -0.68561632      -0.75043443      -1.99261496
Cr       4.35219000       0.53886000      15.89963000      -0.47021266       2.99765792       0.29551462
Cr       2.71919000       3.17099000      15.99497000       0.17376738      -0.00097727      -0.83199184
Cr       4.19446000       2.74042000      25.58434000       2.81285756       0.58851647      -4.48241342
Cr       1.35801000       2.73596000      25.28315000      -0.28218471      -1.05259264      -0.03876701
Cr       2.75992000       0.11609000      25.22339000       0.09710074       0.69925323       0.66628893
Cr       1.75784000       4.14595000       6.09966000      -1.33273237       1.65440740       3.62291648
Cr      -1.15589000       4.34767000       6.17735000      -0.64891398      -0.89847400       1.63391658
Cr       0.24325000       1.77944000       6.10013000       0.86395495      -0.49183045       2.55126388
Cr       2.69986000       4.76090000      18.38475000      -0.70027076       0.95812152      -1.24816152
Cr       3.08719000       2.00000000      27.61412000      -2.98032703      -1.01066736       1.89210749
Cr       0.44340000       3.39387000       8.65156000      -1.75645893      -0.56877651      -1.15959091
Cr      -2.63768000       5.09741000       3.67081000      -0.02746231       0.73247504       3.26109996
Cr       2.85859000       1.56734000      13.46953000      -0.28199158       0.01868318       0.49651138
Cr      -0.44263000       3.41034000      23.01330000       1.49236360       0.07011284      -0.06161219
Cr      -0.29027000       1.55864000      20.65109000      -0.58903285      -0.63652111       0.33814175
Cr       1.19984000       4.02840000      20.68543000      -0.48066572       1.08494991      -0.69458179
Cr      -1.77590000       4.19920000      20.55052000       1.06830444      -3.77351737       2.83260825
Cr       2.98542000       3.42352000       1.50437000       1.55831110       2.04080520      -0.23713398
Cr       1.57822000       0.97067000       1.48957000       0.70552636      -0.13283636      -0.67281637
Cr       4.57293000       1.12937000       1.48464000       1.89955190      -3.46878385      -1.76473296
Cr       0.10298000       5.10238000      11.07346000       2.19214130       1.04757621       0.19594459
Cr      -1.32942000       2.67656000      11.19316000      -0.58953835      -0.98958562      -1.43261247
Cr       1.55433000       2.64224000      11.14260000       2.66458526      -2.00626050      -0.30395763
O        1.00994000       0.57703000      19.52197000       1.30679529       1.59316890      -0.98859271
O        4.32652000       0.49869000      19.50788000       0.49573656      -0.03278402       0.46408209
O        2.60037000       3.24843000      19.54610000       1.00060492      -0.43484302       0.36556943
O       -1.52365000       2.69716000       0.38884000       0.98279016      -0.11796377      -1.88126270
O        1.71207000       2.66578000       0.33994000      -1.63551752      -0.12859189      -0.66623836
O        3.02667000       0.54831000       0.22674000       0.87858708      -1.70544362       0.50306556
O        1.76485000       4.12203000       9.87642000      -0.47361170       0.92747786       0.64460383
O       -0.89842000       4.19283000       9.73843000      -2.48040158       0.11834311       1.12439103
O        0.27443000       1.87637000       9.92039000      -1.05244998      -0.22147869       0.15727149
O        1.69979000       0.85375000      12.10374000      -1.51143747      -0.09917789       1.07485831
O        4.34920000       1.07639000      12.22526000       0.64360627      -1.42740665       1.93044949
O        2.94242000       3.25096000      12.45056000       0.50875986       0.67803061      -0.30980496
O        4.27997000       2.42795000      21.82580000      -0.61365143       0.69976944      -0.89914648
O        0.94805000       2.55440000      21.77972000       0.73638987      -1.76811506       1.65416079
O       -0.29607000       4.85329000      21.61232000      -0.59320324       0.96224405       0.95214755
O        1.79128000       4.40897000       2.63870000      -1.17231312       0.27197831       0.19154135
O       -1.36787000       4.27780000       2.43708000       0.29636157       0.91484372       1.18692982
O        0.06248000       1.61774000       2.68588000       1.63956814       0.97078802       0.01562349
O        1.84218000       0.76417000       5.03522000      -1.86411588       0.74744975      -0.65723816
O        4.90361000       0.74428000       5.17266000      -1.30898640       0.33042893      -2.56401996
O        3.18750000       3.68094000       5.10490000       2.66054980      -1.73004702      -2.35274015
O        3.98995000       2.34225000      14.76838000       2.74292078       0.23113167       1.00078923
O        1.40387000       2.25564000      14.89039000      -0.52629426      -0.50247469      -0.71844854
O       -0.05915000       5.03288000      14.93394000      -1.85699463      -0.20423561      -1.87716118
O        1.03311000       4.24500000      24.13350000       0.66435089       0.38180793      -1.24376398
O       -1.63995000       4.31060000      24.24100000      -0.60110463       0.34767768       0.11786229
O       -0.33438000       2.01546000      24.41784000       0.94699888      -0.95900982      -1.31985900
O        2.60595000       4.94088000      21.70636000       1.02489074       0.09866864      -1.04648783
O        3.19729000       1.71110000       2.46062000      -2.81151810       1.28549264       2.50697373
O        0.18648000       3.48798000      12.14259000      -1.18496333      -0.25534658       1.29701079
O        0.14270000       0.03026000       7.30766000       0.99726831       0.22821282      -3.21808264
O        2.73984000       1.43561000      16.87961000       1.67576608       0.64238919       2.57715182
O        0.00454000       3.54583000      26.39543000      -1.51700475       0.46832270       0.70220022
O        0.24179000       0.02431000       0.46796000      -1.56107281       0.96150467      -0.38295281
O        3.14166000       1.64986000      10.19295000      -0.07326199       1.95701756      -0.95717428
O       -0.17952000       3.14800000      19.57237000      -1.28961022       1.11045509      -0.34486090
O       -0.22099000       1.20218000      17.29362000       0.46269188       1.57993351      -2.34374997
O        1.35960000       4.19232000      17.06314000      -0.09470106      -2.13222645       0.37927658
O       -1.83406000       4.05151000      17.12369000      -0.66552656       0.58326516      -0.44910945
O        2.76309000       3.63610000      26.33874000      -0.51534539      -0.59056832       1.57652358
O        1.58563000       1.08129000      26.41926000       0.99302971       1.66954638       0.10124766
O        4.19223000       0.96402000      26.32124000       0.46745289       0.52236386       1.28623558
O        0.34965000       4.82647000       7.30509000      -0.08156219       1.64396365       0.36734600
O       -1.16544000       2.73191000       7.29394000       0.85453138      -1.06759144       0.15506350
O        1.60863000       2.57491000       7.40600000       1.06881997      -0.79247127      -1.48346730
Zn       0.09729000       0.31750000      27.18620000      -1.54163623      -0.56937443      -0.10931474
Zn       3.21948000       1.59218000       8.33688000       0.32952089       0.35366024      -2.42324401
Zn      -0.28448000       3.19169000      17.60812000       1.38966460      -0.96294272       0.63769692
Zn       5.54978000       0.25705000      23.52189000       0.30384311      -0.29701193       1.54803509
Zn       3.32634000       1.84673000       4.45546000       0.57333968      -0.53317100       0.17707215
Zn      -0.05940000       3.28982000      14.10333000      -0.78242976      -0.51710231       0.10217621
Zn       2.73882000       5.02494000      13.61417000       0.25813738      -0.24483489      -1.15613117
Zn       2.65969000       1.72477000      22.59531000      -0.59272530      -0.51439641       0.89029757
Zn       0.49481000       3.58730000       3.87899000      -1.17905879      -0.54007561      -0.87443501
Zn       0.37456000       0.01802000       9.09013000       0.02338770       0.03347640       2.45293127
Zn       2.84207000       1.40884000      19.00412000      -1.70361610       0.58637905      -0.81920180
Zn       0.01221000       3.79303000      28.36502000       0.65469302      -0.66240788       0.08057679
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.55684651 magmom=72.1747295 free_energy=-552.56641277 stress="-0.03259391067878951 -0.0012975063504309498 -0.0014356304293414892 -0.0012975063504309498 -0.02690112120003293 -0.004975257950037865 -0.0014356304293414892 -0.004975257950037865 -0.036576578661308104" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.24248000       0.62394000      16.00238000       1.38331338       1.00182855      -1.29659371
Cr       4.31038000       0.64880000      15.88479000      -1.18259910       0.50400925       0.45267353
Cr       2.79444000       3.18440000      15.86575000      -1.77280363      -0.58156934      -0.24267581
Cr       4.23623000       2.74472000      25.52599000       0.47512646       0.09965552      -2.73631147
Cr       1.37560000       2.64556000      25.28425000      -0.78863206       1.76307215      -0.27131876
Cr       2.81951000       0.17042000      25.26623000      -0.03926208       0.26278674       0.34678931
Cr       1.65647000       4.29477000       6.25564000      -0.06945020      -0.25165482      -2.68346245
Cr      -1.14953000       4.34123000       6.33037000      -2.21984078      -0.39866125      -2.22900856
Cr       0.16156000       1.74526000       6.17943000       1.57636094       0.56149079      -2.11620974
Cr       2.68720000       4.82230000      18.29016000      -0.75254801       1.00270979       0.37624681
Cr       3.00106000       2.03939000      27.65679000      -1.13604569      -2.17414977       3.07855352
Cr       0.38878000       3.41919000       8.56433000      -0.98871996      -0.99330276       1.66049721
Cr       0.27884000       0.07799000       3.84018000       0.82701848       0.41190226       0.51607351
Cr       2.83696000       1.54063000      13.46739000       1.66446028      -0.01350198       0.19635399
Cr      -0.33745000       3.42010000      23.05966000      -0.77396274      -0.22444315      -1.51018913
Cr      -0.30420000       1.55969000      20.62432000      -0.53209556       0.51202776       0.53283683
Cr       1.13604000       4.12199000      20.61957000      -0.63492849      -0.80519907       1.14234811
Cr      -1.75744000       4.08754000      20.53810000      -2.54574902       1.49653686       2.71929876
Cr       3.03801000       3.47399000       1.50844000       1.03828096       0.15141387       0.09244266
Cr       1.52429000       0.96645000       1.54445000       2.54836802      -0.21646900      -1.23926438
Cr       4.54480000       0.96169000       1.47992000       0.34838180       0.87141470       1.16834903
Cr       0.22224000       5.06246000      11.07078000       0.42460209       1.05049071       0.47004825
Cr      -1.29047000       2.61958000      11.24400000       0.06775101      -1.30248906      -1.28134527
Cr       1.65052000       2.55044000      11.09292000      -0.67390725      -0.03724892       1.06214030
O        0.98206000       0.73862000      19.41707000       1.23639557      -1.36428850       0.22022527
O        4.38431000       0.55082000      19.53299000      -1.00686490       0.47728680      -1.35452416
O        2.53685000       3.26428000      19.53379000       1.24937105       0.61272062      -0.40649606
O       -1.39063000       2.61364000       0.37109000      -2.09116043      -0.17001121      -0.34894076
O        1.48564000       2.54972000       0.33766000       1.98833133       0.95841678      -0.10147555
O        3.09054000       0.46654000       0.33313000      -0.59061028      -1.17014684      -0.99033040
O        1.79169000       4.10924000       9.80340000      -1.25068884       0.50702795       0.53681434
O       -1.00107000       4.13395000       9.83841000      -0.11970345      -0.02143819       0.21613541
O        0.19883000       1.87476000       9.92339000       0.13884712      -0.27408361      -0.51910540
O        1.71261000       0.74341000      12.18309000      -0.49199565       0.50900684      -0.57547962
O        4.43205000       0.86056000      12.37178000      -0.11977229       0.37120403      -0.06223274
O        3.15528000       3.24552000      12.39896000      -1.12706970      -0.10556726       0.00031708
O        4.22490000       2.47963000      21.93879000       0.35298239       0.53744868      -1.73005436
O        0.89182000       2.46682000      21.76262000       1.34932158       0.88637873       0.74846083
O       -0.38157000       4.96431000      21.67439000       0.26161266      -0.78958718       0.09044759
O        1.85792000       4.46334000       2.68955000      -0.99614477      -0.09649815      -0.92232173
O       -1.43083000       4.44819000       2.62292000       0.71436876      -1.15466370      -0.35127306
O        0.20397000       1.57016000       2.65049000      -1.65060048       1.94283857       1.12393140
O        1.71585000       0.73487000       5.16254000      -0.69238287       1.45758515      -0.51566991
O        4.70432000       0.80570000       4.92832000       0.97762585      -0.33733160       2.12172436
O        3.27016000       3.67563000       5.07267000      -0.51693845       0.19075600       1.50311145
O        4.19785000       2.37074000      14.71715000      -0.34050985      -0.83954973       1.33882811
O        1.45521000       2.22985000      14.68592000      -0.11314612      -0.07346821       0.95674138
O       -0.17016000       5.07287000      14.79007000      -0.06992234       0.27364303       0.21574409
O        1.07405000       4.23886000      24.04973000       0.48051269       0.33139151       0.92302819
O       -1.65748000       4.33297000      24.23148000       0.59045566       0.14318182       0.35764428
O       -0.25369000       1.95052000      24.37862000       0.27791296      -0.55430497      -0.81090386
O        2.56171000       4.95256000      21.57362000       1.42984958       0.26812942       0.97789406
O        3.00614000       1.83491000       2.55104000       0.65769269      -0.23174454       0.02769738
O        0.22656000       3.44440000      12.16561000      -0.17032354      -0.47201983       0.03340246
O        0.04734000       0.11434000       7.06924000       2.55182922      -0.55642171       3.49837535
O        2.72743000       1.51775000      17.05053000       0.38473264      -0.21229191      -2.55723935
O       -0.18848000       3.61964000      26.31149000       1.14992453       0.14663575       1.22851729
O        0.15068000       0.06587000       0.51808000      -0.86277148      -0.10822126      -0.79589279
O        3.02175000       1.74251000      10.15742000       2.48686478      -0.89821997      -0.65876052
O       -0.36488000       3.46326000      19.53939000       1.12121354      -2.16784322      -1.21000442
O       -0.16749000       1.40322000      17.12860000      -0.64644397      -1.64487531      -1.20493941
O        1.31058000       4.10071000      17.02412000       1.31961452       0.53741723      -1.05409905
O       -1.95108000       4.08350000      17.02505000       1.52784904       0.45279103       0.31048639
O        2.75335000       3.58386000      26.47395000       0.15139749      -0.60450036      -0.31079237
O        1.60926000       1.19617000      26.45719000       0.24528935      -0.82775182       0.45385119
O        4.26688000       1.03450000      26.49419000      -0.40070327       0.38665824      -0.43791218
O        0.21445000       5.10626000       7.39007000       1.14803989      -1.29849089       0.64281937
O       -1.03904000       2.64205000       7.33286000      -1.09048575       0.41605946       1.34073994
O        1.64359000       2.61284000       7.23403000      -0.11873474       0.02792440       1.05842891
Zn       0.10453000       0.26699000      27.24717000      -0.77325606       0.15288270      -0.53655952
Zn       3.18544000       1.63984000       8.29089000       0.35278796       1.42276877      -1.13673808
Zn      -0.27931000       3.22697000      17.57351000      -0.02018985       0.28618468       0.82693604
Zn       5.57078000       0.15762000      23.52691000       0.56096621       0.01536730       0.12005102
Zn       3.28035000       1.92272000       4.51409000      -1.17772954      -0.97721880      -0.86497167
Zn      -0.09472000       3.23741000      14.11047000      -0.01393303       0.32169669      -0.35627303
Zn       2.72243000       4.93689000      13.66583000       0.39470003      -0.10939511      -1.44731958
Zn       2.58980000       1.65612000      22.52856000      -0.36909790      -0.01136003       0.85088156
Zn       0.74099000       3.65688000       3.91813000      -2.37754377      -1.19245333       0.00952846
Zn      -2.50381000       5.01764000       9.06193000      -1.04751180       0.95835110       0.65490474
Zn       2.87732000       1.45128000      18.90814000      -1.57891429       0.21757079       0.90713163
Zn       0.03963000       3.67470000      28.37017000       0.48154149       0.76377335      -0.24276255
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.52543905 magmom=71.9976558 free_energy=-552.52543905 stress="-0.03849823831482537 0.0075862292597497875 0.0030509074446232244 0.0075862292597497875 -0.03930988328774396 0.002977362157249624 0.0030509074446232244 0.002977362157249624 -0.04837815116868793" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.25237000       0.64790000      15.84992000       0.84494679       0.03264744      -1.39767168
Cr       4.22192000       0.75287000      15.91242000      -0.58951588      -3.92794279      -1.67778406
Cr       2.77949000       3.19852000      15.76067000       0.56140655       0.99150659       0.26987265
Cr       4.25985000       2.71946000      25.43733000       0.64544115       0.76117241      -0.75055364
Cr       1.36174000       2.64530000      25.29737000      -0.13927910       1.10755270       0.46339009
Cr       2.87270000       0.24139000      25.34069000       0.29399684      -0.90823564      -0.12211296
Cr       1.57707000       4.42473000       6.30464000       2.59722792      -1.11279656      -0.98688597
Cr      -1.24519000       4.30767000       6.37588000       1.38904002       0.57742684      -0.60976227
Cr       0.16575000       1.76151000       6.19354000       0.05709575       1.69072616       1.32780447
Cr       2.66896000       4.92407000      18.22041000       1.60232375      -0.07086134      -1.26033468
Cr       2.91872000       1.99563000      27.77093000       0.51617966      -2.74711727      -0.45821433
Cr       0.27883000       3.38120000       8.61020000       0.21208348      -0.08216059       2.60918037
Cr       0.29414000       0.17786000       3.99957000      -1.13947775      -0.85662429      -4.61533257
Cr       2.89726000       1.51422000      13.46788000       0.98318002       0.55340738      -0.21218464
Cr      -0.27563000       3.41779000      23.01877000      -0.52085229       0.15104290       0.23481051
Cr      -0.32896000       1.58099000      20.61470000       1.44551158       1.33123558      -0.56652642
Cr       1.06842000       4.17900000      20.58326000       0.98706106      -0.70432021       0.36423431
Cr      -1.86680000       4.07338000      20.60590000       1.86681594       2.13883070      -1.06358684
Cr       3.14203000       3.51569000       1.47834000      -0.85218261       0.26122832       1.95966401
Cr       1.58521000       0.96018000       1.54841000      -0.96517089       0.27516215       0.68609338
Cr       4.53095000       0.85813000       1.50559000      -1.55887401       3.75265822       0.77991515
Cr       0.34462000       5.08310000      11.11263000      -1.82656597      -1.46939386      -0.42505984
Cr      -1.25244000       2.49260000      11.22187000       0.93396495       0.14647758      -1.08606204
Cr       1.72317000       2.44263000      11.08875000      -1.27272003       0.91705975      -0.57335472
O        1.12867000       0.67443000      19.41468000      -1.29336078      -0.07220361       0.17891146
O        4.32448000       0.64522000      19.40264000       0.31204025      -0.47181038       0.58546338
O        2.66550000       3.37683000      19.48712000      -1.40375384       0.05710914      -0.64796792
O        4.31020000       2.50244000       0.31117000       1.70245304       1.02058288       0.74815930
O        1.61305000       2.56711000       0.37309000      -0.27385509       0.88733131       0.65680259
O        3.05099000       0.22087000       0.35312000      -0.45196281       1.58199676       0.37675802
O        1.56763000       4.15135000       9.84546000       1.43419931      -0.00064930       0.44592226
O       -1.09121000       4.07155000       9.99570000       0.66032859       0.40684127      -0.48772953
O        0.19081000       1.85828000       9.84506000       0.79478795      -1.09672008       0.41462883
O        1.72948000       0.79744000      12.15598000       0.26549057      -0.08859391      -0.34583496
O        4.44150000       0.75708000      12.47088000       0.56464798       0.74529497      -0.50912384
O        3.16140000       3.14780000      12.30668000      -0.60310169       0.27357629       0.84225598
O        4.28674000       2.62631000      21.73479000      -0.80147193      -2.45278586       1.15562998
O        0.99968000       2.54360000      21.84406000      -0.14919246       0.41757897      -1.87467195
O       -0.40778000       4.87096000      21.74531000       0.82410124       0.87196365      -0.74219604
O        1.80280000       4.50268000       2.58316000       0.39070217      -1.35071804       1.91407806
O       -1.44721000       4.49978000       2.72937000       0.45238059      -0.49623433      -0.64359372
O        0.16195000       1.76078000       2.72912000      -0.20851696      -0.72827282       0.08158600
O        1.47896000       0.94676000       5.17810000       3.13232941      -0.37070791       0.33670469
O        4.70071000       0.82404000       5.05231000      -0.68195511       0.89337252       1.33651243
O        3.30145000       3.71874000       5.23392000      -1.55530915      -0.60930198      -0.56504172
O        4.30422000       2.26609000      14.91890000      -0.87854452       1.97596961      -2.46126338
O        1.51407000       2.18365000      14.65930000      -1.18559024       1.46707522      -0.17116918
O        2.66427000       0.04446000      14.67887000       1.33284759      -2.03871915       0.53540987
O        1.12127000       4.25259000      24.14367000       0.03930810       0.12337076       0.11224703
O       -1.51231000       4.35173000      24.29610000      -0.48525117       0.10394626      -0.64610867
O       -0.09814000       1.87916000      24.19909000      -0.85608614       0.25051121       0.97248208
O        2.71795000       5.02506000      21.55784000      -2.00574781      -0.04125348       1.28466299
O        2.87334000       1.94677000       2.61900000       1.66818223      -0.86030369      -0.23987472
O        0.20969000       3.32394000      12.13909000       0.79090952       0.29915941       0.62953980
O        0.31473000       0.09866000       7.27233000      -1.52915092       0.30991237      -0.23569158
O        2.79289000       1.56202000      16.81122000      -1.16490236      -0.09714968       1.93178129
O       -0.21587000       3.69577000      26.39894000       0.85362464      -1.01476762      -0.11344713
O       -0.02121000       0.09909000       0.50302000       2.25169235      -0.27986223      -0.59875565
O        3.27081000       1.72918000      10.07865000      -0.71614274      -0.90288523       0.22693185
O       -0.39382000       3.40487000      19.45448000       0.85217424      -1.14766067       1.26271092
O       -0.21377000       1.38786000      16.77678000       0.86582581       0.88705052       3.60558062
O        1.46077000       4.09289000      16.81698000      -1.44134397       0.33806257       1.47791681
O       -1.84232000       4.18065000      16.94271000      -0.38634609      -0.28882680       0.52822365
O        2.74807000       3.46318000      26.52241000       0.60683129       0.78872759      -0.78111293
O        1.69592000       1.18817000      26.50473000      -2.29501001      -0.98248375       0.16968431
O        4.25771000       1.17180000      26.56511000       0.34717829      -0.97635159      -0.85319899
O        0.27011000       5.05108000       7.48755000      -1.21473815       0.01848455      -0.01521919
O       -1.05647000       2.61783000       7.48550000      -1.46082398       0.41683726      -1.38627256
O        1.60691000       2.69653000       7.18654000      -0.04919019      -0.24200206       1.48522923
Zn       0.05548000       0.21917000      27.26570000      -0.31220954       0.26360724      -1.61253190
Zn       3.17171000       1.75701000       8.18835000      -0.04856963       0.50816790      -0.62057121
Zn      -0.26065000       3.26178000      17.56974000       0.68299072      -0.26267345      -0.74235253
Zn       5.62213000       0.06410000      23.54320000       0.86842775      -0.16034359       0.15908717
Zn       3.18915000       1.94164000       4.53599000      -0.29529945      -0.56942563      -0.50830739
Zn      -0.12773000       3.20641000      14.10174000       0.48069649       0.56922061      -0.42175635
Zn       2.72773000       4.84878000      13.65665000       0.42043873      -0.06466490      -1.22971444
Zn       2.51167000       1.58944000      22.52504000       1.06256473       0.19546520       1.07063622
Zn       0.84533000       3.65690000       3.96582000      -2.31822148      -1.24867975      -0.74957224
Zn      -2.49116000       4.96323000       9.09060000      -1.31099025       0.74377638       2.51022122
Zn       2.81579000       1.51140000      18.83884000      -1.90409943       0.83953322      -0.65362276
Zn       0.08150000       3.58614000      28.35668000      -0.44805259      -1.14715633      -0.06859386
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.26064136 magmom=71.9963961 free_energy=-554.26064136 stress="-0.0353544932528827 -0.0007568972885114765 0.004773469142360363 -0.0007568972885114765 -0.04202679832912464 0.01361799503047648 0.004773469142360363 0.01361799503047648 -0.041316207970221806" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.28362000       0.67316000      15.65233000      -0.94996971       0.20658719       1.35396016
Cr       4.15394000       0.66527000      15.89637000       1.23632478       1.02731635      -0.97524433
Cr       2.77432000       3.28558000      15.70506000       0.06207829       0.21013710       1.44746109
Cr       4.29846000       2.72232000      25.35768000       0.55710787       0.24087128      -0.06139880
Cr       1.34264000       2.70813000      25.35410000       0.43430804      -1.28710389       0.51677072
Cr       2.92473000       0.25898000      25.42496000      -1.58397160      -1.71986584      -1.27601819
Cr       1.61797000       4.46478000       6.31113000       0.26087271      -1.32718170       2.32052353
Cr      -1.27910000       4.30629000       6.37706000       0.55740436       1.70445649      -1.38496414
Cr       0.20475000       1.89734000       6.26568000       0.66986343      -0.22447644       1.34376535
Cr       2.73195000       5.03713000      18.10675000      -0.22900821      -1.05768998       1.51265194
Cr       2.88738000       1.82334000      27.86631000       0.67308237       0.46303268      -2.58184367
Cr       0.17825000       3.32913000       8.80722000       1.17540854       0.76535912      -2.12980409
Cr       0.26899000       0.24087000       3.91798000      -0.72797622      -1.06774242       1.16672847
Cr       3.00428000       1.50859000      13.45240000      -0.93173783       0.38825465      -0.20128774
Cr      -0.24706000       3.41816000      22.97162000       0.13598477      -0.28321927      -0.24821803
Cr      -0.27519000       1.64612000      20.57275000      -0.55757088      -2.21785452       0.79649803
Cr       1.07706000       4.20314000      20.54113000       1.89246734       0.99136944      -1.16135796
Cr      -1.92262000       4.18209000      20.62737000       1.60734754      -1.78846510      -0.01880706
Cr       3.19286000       3.55197000       1.52660000      -0.78105110       0.69636032       1.06002592
Cr       1.60883000       0.98131000       1.58140000      -2.09719655       1.00297519       0.87142912
Cr       4.46022000       0.94077000       1.56903000       2.07445314       0.00204891       0.33356648
Cr       0.35593000       5.02072000      11.14576000      -1.28251963      -0.60740371       0.20137551
Cr      -1.16162000       2.38611000      11.14344000      -0.20606683       0.37201789       0.92813130
Cr       1.71818000       2.39387000      11.06188000       1.25868815       1.17113896      -0.57888573
O        1.06044000       0.58074000      19.44503000       0.55273133       1.39534761      -0.49208416
O        4.29460000       0.66780000      19.36038000      -0.40697077       0.57750641      -0.37863046
O        2.59435000       3.51559000      19.36015000       0.10863965      -0.84447229       0.25939608
O        4.37746000       2.54102000       0.37401000       0.31046826      -0.28717816      -0.48059877
O        1.72395000       2.72602000       0.51693000      -0.68555517      -0.69206759      -0.73518318
O        2.94775000       0.25581000       0.44519000       1.12571096      -0.43485106      -0.76755719
O        1.55833000       4.14866000       9.96273000       1.77256128      -1.06872312      -0.71034610
O       -1.02099000       4.03802000      10.09521000      -1.39093106       0.35629021      -0.35248193
O        0.34116000       1.70610000       9.86237000      -0.87070099       0.01808913       0.66512929
O        1.86666000       0.86333000      12.08353000      -0.96990261      -2.16008357       1.10365169
O        4.48934000       0.81772000      12.41774000       1.23498144      -0.46268144       0.04546643
O        3.07582000       3.05025000      12.31554000       1.21939631       1.54009498      -0.00310923
O        4.23870000       2.46146000      21.66227000      -0.44356483       1.04829206       1.24677185
O        1.04320000       2.69666000      21.63803000       0.53716783      -2.29626420       1.80557061
O       -0.30489000       4.85535000      21.68170000      -1.49364448       1.32436231       0.31298415
O        1.86561000       4.44139000       2.70133000      -0.31392536       0.72074723       0.34628715
O       -1.45757000       4.51103000       2.68489000       0.85553097      -0.08519422       0.46766998
O        0.08212000       1.75821000       2.81016000       0.43308104       0.30844790      -0.98274760
O        1.62062000       1.02698000       5.21484000      -1.39999171      -1.54611035       0.12788043
O        4.67171000       0.99884000       5.40023000      -0.20956419       0.41005423      -2.51373179
O        3.08687000       3.74752000       5.31026000       0.72728341      -0.23339784      -2.04330856
O        4.17239000       2.35825000      14.77432000       0.66638532      -0.56709622       0.11335979
O        1.45136000       2.34178000      14.63148000       0.82034376      -0.80616355      -0.51802850
O       -0.15620000       4.99763000      14.67595000       0.07725779       1.16359537       0.12095148
O        1.13686000       4.27044000      24.27679000       0.60122862       0.61799796      -1.35669438
O       -1.39669000       4.35756000      24.26551000      -1.05012786       0.22157478      -0.33929338
O       -0.09061000       1.93037000      24.22069000      -0.56540881      -0.52866061       0.22158692
O        2.58040000       5.08305000      21.67725000       0.19881178      -0.39337045      -0.81738443
O        3.05699000       1.87509000       2.55048000       0.36100708      -0.31755331       1.16628777
O        0.31269000       3.24731000      12.13713000      -0.53884560       0.27892182       0.44904030
O        0.36246000       0.09079000       7.39055000      -1.64730354       0.81422283      -0.67895371
O        2.66752000       1.57481000      16.74315000       0.15802476      -0.07487496       0.87369243
O       -0.07077000       3.59108000      26.41186000      -0.27437529      -0.08204072       0.19375003
O        0.13962000       0.12121000       0.51850000      -0.55086584       0.58667611      -0.03107717
O        3.40640000       1.53485000      10.05871000      -1.44961892       0.83626800      -0.97588945
O       -0.21486000       3.14231000      19.55447000      -1.20087144       2.94002662      -2.37365490
O       -0.17539000       1.43777000      16.93008000      -0.23027765      -0.10711186      -1.34193071
O        1.41478000       4.13990000      16.82823000      -0.17713707       0.04652827       0.80253203
O       -1.79728000       4.24547000      16.90434000      -0.15346217      -0.27937447      -0.48608650
O        2.83000000       3.43931000      26.41672000      -0.12662717      -0.44161609       1.13188590
O        1.47013000       1.00977000      26.54697000       2.21536932       1.98540566      -0.31087082
O        4.26917000       1.12806000      26.44817000      -0.17948080      -0.19139016       1.41283731
O        0.16227000       4.87804000       7.51063000      -0.06697389       1.95716485       0.54323688
O       -1.23532000       2.74986000       7.41093000       1.37729865      -0.80990994       0.57459842
O        1.50227000       2.77527000       7.42569000       0.71173513      -0.29889254      -0.01566653
Zn      -0.02018000       0.18040000      27.19899000      -1.27895119      -0.92180934       0.03058815
Zn       3.14740000       1.90359000       8.06204000      -0.99294660      -1.63930640       0.68405355
Zn      -0.21028000       3.28711000      17.54460000      -0.07046840      -0.08073977       0.57489515
Zn       2.76773000       5.07770000      23.57056000       0.28889678       0.47931305       0.71869543
Zn       3.08368000       1.92680000       4.53240000       1.56063341       0.28588179      -0.25647279
Zn      -0.13392000       3.20529000      14.06712000      -0.25623812      -0.37619753      -0.85800979
Zn       2.75550000       4.75763000      13.58918000       0.08104923       0.26332295      -1.54508927
Zn       2.48606000       1.54067000      22.58067000       0.89989282       0.76668607       0.23443464
Zn       0.81520000       3.58388000       4.00216000      -2.20926236      -0.92079286      -0.17134889
Zn      -2.55334000       4.94914000       9.25501000      -0.72951987      -0.08872568       1.28664705
Zn       2.65930000       1.60804000      18.75569000      -0.04973695       0.10752036       0.47054215
Zn       0.10068000       3.45760000      28.34077000      -0.16055903       0.32538905       0.31674924
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.51570303 magmom=71.9993947 free_energy=-552.51570304 stress="-0.03969559902718062 -0.004529086035706059 -0.006159239120012005 -0.004529086035706059 -0.027823446086575176 0.0016373895773676241 -0.006159239120012005 0.0016373895773676241 -0.03725864468687172" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.25760000       0.70259000      15.55536000       0.35814951       0.72412246       1.46302184
Cr       4.19391000       0.58860000      15.87698000       0.20728080       4.15419304      -0.49348052
Cr       2.77308000       3.39337000      15.74781000      -0.60443848      -2.74617729      -0.37549485
Cr      -1.55136000       2.73158000      25.31165000      -1.06326789      -1.03774253       1.31268902
Cr       1.37115000       2.70410000      25.43879000       1.06976198      -0.52215457      -2.45253295
Cr       2.89561000       0.18832000      25.46469000      -0.54334842      -0.93772096      -2.57346211
Cr       1.67175000       4.43820000       6.42762000      -1.54599026       1.46941328      -0.62107678
Cr      -1.26949000       4.40099000       6.32504000      -0.80823951      -0.15093883       0.05565463
Cr       0.25929000       2.02267000       6.40699000      -0.92683768      -3.12302731      -2.22959561
Cr       2.76624000       5.09784000      18.04598000      -0.58551719      -0.87618193       2.56363703
Cr       2.89044000       1.66242000      27.83989000       1.33884387       3.34005060       0.30915068
Cr       0.15280000       3.32976000       8.89314000       0.46390461       1.43700486      -1.98719444
Cr       0.21171000       0.23786000       3.87810000       0.18304445       0.01491626       3.01653864
Cr       3.06083000       1.52479000      13.39950000      -0.63621761      -0.06533840      -0.38760930
Cr      -0.21282000       3.40563000      22.91578000       0.33112625       0.00686987      -0.15376390
Cr      -0.26333000       1.62934000      20.54174000      -1.62323969       0.82037763       0.27287379
Cr       1.17257000       4.26060000      20.44761000      -1.76792189      -0.43849123       0.58217506
Cr      -1.88012000       4.21600000      20.61760000       0.61922975      -1.71546402      -0.69749292
Cr       3.19188000       3.61082000       1.61886000      -0.00035622      -0.52723126      -0.29037449
Cr       1.55768000       1.06751000       1.61889000       1.81087734       0.10614993       0.16978897
Cr       4.51444000       1.03127000       1.61025000       1.93330989      -2.11940471      -0.61440677
Cr       0.29424000       4.92058000      11.17581000       0.95955794       0.67461124      -0.84645952
Cr      -1.09575000       2.30751000      11.11277000      -2.28726973       0.72337855       1.09746980
Cr       1.78991000       2.38524000      11.03674000       1.72843446      -1.56876687       1.74577542
O        1.03654000       0.68516000      19.40455000       0.12051743      -0.11055979      -0.01324918
O        4.24842000       0.75858000      19.30404000       0.30060433       0.23858491      -0.27993546
O        2.54155000       3.53844000      19.29221000       1.38673490       0.12865594       0.39498007
O       -1.41175000       2.54646000       0.43347000      -2.05107603       0.04657899      -0.48096267
O        1.71224000       2.77925000       0.57686000       0.80334295      -1.22454274      -1.01501449
O        3.02517000       0.24908000       0.46678000       0.11203359      -0.51032799      -0.03436269
O        1.75477000       3.95545000       9.99296000      -2.05909546       0.71757532      -0.23188215
O       -1.11080000       4.02303000      10.13427000       0.09587480      -0.31148760      -0.32060728
O        0.33970000       1.65369000      10.01994000      -0.56646720       0.52950705      -1.28440256
O        1.89344000       0.65734000      12.16039000      -0.98637742       0.63353636       0.28238577
O        4.65397000       0.82113000      12.32394000      -0.79899221      -1.16564631       0.41539789
O        3.18554000       3.12336000      12.28614000       0.32747703      -0.32588875      -0.70128642
O        4.20400000       2.47057000      21.80363000       0.82413779       1.33553467      -0.49923292
O        1.09420000       2.54466000      21.65202000      -0.39434648       0.53728882       0.24658349
O       -0.40684000       4.97340000      21.61652000       0.62900375      -0.83158148       0.43952533
O        1.88999000       4.49602000       2.84261000      -1.91336269      -0.48401077      -1.46805194
O       -1.40553000       4.56642000       2.69625000       0.31301207      -0.34600353       0.65388875
O        0.10745000       1.73513000       2.72081000       0.45279301       1.69385514       0.46775234
O        1.55506000       0.82963000       5.26115000       0.27210662       2.29080793      -0.77256192
O        4.66799000       1.19569000       5.36374000       0.72451491      -1.58090349      -0.58738587
O        2.96132000       3.77309000       5.05857000       0.87514024      -0.07635068       1.61378127
O        4.12130000       2.43945000      14.63844000       1.29847516      -0.19433488       2.08974641
O        1.56663000       2.35752000      14.52666000      -0.48077079      -0.08914759      -0.08910030
O       -0.02372000       5.06068000      14.69302000      -1.43110413      -0.52392697      -1.11259814
O        1.18671000       4.33319000      24.21798000      -0.24405612      -0.58235996      -0.03842144
O       -1.40802000       4.34633000      24.18877000       0.56292250      -0.17772990       0.73841387
O       -0.17025000       1.95247000      24.29106000       1.25423699      -0.78839655      -1.03610599
O        2.48854000       5.06217000      21.60851000       1.67683855       0.11461444       0.25022888
O        3.22014000       1.80265000       2.65567000      -2.19341961       1.42828594      -0.15031291
O        0.35380000       3.22230000      12.13277000      -0.37222002      -0.11971402       0.07416136
O        0.14590000       0.20023000       7.28728000       1.20264243      -0.21643392       1.94217409
O        2.55450000       1.57941000      16.78224000       1.49895216       0.05199175      -0.98751966
O       -0.01301000       3.48258000      26.39993000      -1.37483354       1.16123534       0.94065114
O        0.21629000       0.21149000       0.57177000      -1.43471614      -0.55047515      -1.37267524
O        3.27198000       1.46832000       9.97079000       0.34559836       0.70900570       0.75859058
O       -0.23223000       3.31171000      19.43800000      -1.11222487       0.24046767       0.97266868
O       -0.14338000       1.49494000      16.87870000      -0.48543236      -0.49912827      -1.63664771
O        1.35946000       4.20629000      16.95815000       1.36752144      -0.30895310      -0.64617527
O       -1.80225000       4.26733000      16.77359000       0.35883300       0.17955777       0.86053552
O        2.90326000       3.33697000      26.46750000      -0.23914681       0.69785588       0.84217500
O        1.55508000       1.13630000      26.53038000      -0.87985565      -1.37435118       0.64786902
O        4.23878000       1.05120000      26.50014000      -0.02284486       0.47388132       0.16892822
O        0.04210000       5.02163000       7.60539000       1.08573128       0.21914631      -0.11773839
O       -1.15328000       2.79802000       7.40314000      -0.57294965      -0.08257577       1.74127995
O        1.47984000       2.82468000       7.65069000       0.99336201       0.19960716      -1.57612008
Zn       5.76125000       0.10357000      27.12104000       1.08993222      -0.38071620       0.92771364
Zn       3.08484000       1.96629000       7.96518000       1.15103126      -1.98593940       0.96407905
Zn      -0.16816000       3.30436000      17.53886000      -1.22130289      -0.17372742       0.20138702
Zn       2.87556000       5.00832000      23.62608000      -1.34137585       1.27869850      -0.73922464
Zn       3.04667000       1.91550000       4.52133000       0.59737157      -0.59167651       0.75933111
Zn      -0.14909000       3.19113000      13.99712000       0.33898326       0.04441459       0.04629467
Zn       2.79450000       4.68124000      13.45802000       0.36396549       0.65751433      -0.78005771
Zn       2.51171000       1.53313000      22.66350000       0.89593492       0.83205899       0.38591639
Zn       0.66533000       3.46333000       4.03884000      -1.20069409       0.14663529      -0.61631840
Zn      -2.65344000       4.93340000       9.49634000       0.23425352       0.55975894      -1.18674535
Zn       2.49324000       1.71368000      18.69409000       1.07296742      -0.40977343       0.64003707
Zn       0.11574000       3.34451000      28.33891000       0.13894162       1.22756047       0.44238947
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.23027918 magmom=71.9968039 free_energy=-551.23027918 stress="-0.04826107681024028 0.001566135267126225 0.001405044700300248 0.001566135267126225 -0.031783984430238915 -0.006804203287248466 0.001405044700300248 -0.006804203287248466 -0.03876291729871184" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.24811000       0.75888000      15.56565000       1.98408917      -0.79620029      -1.08565511
Cr       4.27145000       0.71360000      15.86427000      -2.46698724       0.12519334      -3.27018264
Cr       2.75450000       3.37139000      15.80805000       1.47876707      -1.62024643      -2.58255200
Cr       4.34864000       2.66774000      25.35259000       0.04382112      -1.19182172       0.65850282
Cr       1.46344000       2.65901000      25.41632000      -1.31929468      -0.01762208      -0.81061249
Cr       2.83180000       0.08212000      25.40782000       0.82178061       1.29621042      -0.19340858
Cr       1.63871000       4.50172000       6.53060000       0.19508711       1.88436721      -2.72572072
Cr      -1.29146000       4.50803000       6.28914000      -0.24747988      -1.39646506       1.84005742
Cr       0.24420000       1.97560000       6.43895000      -1.39808426      -0.91052600      -0.88474012
Cr       5.68287000       0.00397000      18.07098000       1.20094797       0.39597691       0.39282196
Cr       2.95534000       1.65740000      27.84872000       0.34904499       1.22785606       0.32735194
Cr       0.17470000       3.41683000       8.84953000       0.26193589       0.13876542      -0.43407922
Cr       0.15148000       0.22026000       3.98194000      -0.41528176       0.63834941      -1.95622836
Cr       3.08223000       1.53835000      13.33984000       0.73677266      -0.68708307       2.51037339
Cr      -0.15159000       3.39375000      22.85728000       0.67469412       0.77382435       2.61318640
Cr      -0.34723000       1.63516000      20.53050000       0.45821595       1.62888811       0.75993448
Cr       1.19311000       4.31373000      20.36755000      -1.41581162      -0.46690215       1.92811463
Cr      -1.79317000       4.15810000      20.56271000      -0.55274908       1.86925805       0.36254881
Cr       3.17939000       3.64641000       1.68861000      -0.77298879       0.15729165      -1.36805336
Cr       1.61141000       1.15747000       1.61772000       0.66300914      -3.05328888       0.12313644
Cr       4.66613000       1.02491000       1.59889000      -3.10612688       0.12171523      -0.03896556
Cr       0.25399000       4.85514000      11.17300000       0.08327832       0.22206424      -0.82001336
Cr      -1.15696000       2.26308000      11.15378000       0.85735169       0.70087768      -1.34658313
Cr       1.93964000       2.29783000      11.10698000      -5.22459053       0.62987055      -0.27515127
O        0.99965000       0.77838000      19.37460000      -0.03515252       0.10187461      -0.13736829
O        4.26567000       0.87043000      19.22665000      -0.37685116      -0.56195497       0.10976886
O        2.71249000       3.58842000      19.33088000      -1.02983940      -0.52152849      -0.72210864
O        4.24278000       2.54069000       0.43212000       2.44812948       0.72905021      -0.48224007
O        1.83837000       2.60514000       0.44264000      -1.63279502       1.44629085      -0.15639929
O        3.16206000       0.13452000       0.45577000      -0.55833346       0.55919948       0.27912007
O        1.59901000       3.85411000       9.99115000       1.30198160       1.96585206       0.80439142
O       -1.14811000       3.95116000      10.11155000      -0.28289964       0.72520462      -0.22280558
O        0.24418000       1.77307000       9.97287000       1.14803137      -1.44451298      -0.61601377
O        1.83178000       0.56179000      12.25308000      -0.15795497       1.04554427      -0.74857047
O        4.61432000       0.64830000      12.24324000      -0.61987957       0.01635298       0.45467659
O        3.35501000       3.08812000      12.12957000      -1.12431752       0.47610504       1.81557477
O       -1.56088000       2.74556000      21.83659000      -1.81760722      -2.70333964      -1.17234209
O        1.02534000       2.45481000      21.72711000       1.19980982       0.51954441      -1.66258683
O       -0.39849000       4.91418000      21.63743000       1.99518931       1.28251765       0.23707321
O        1.70251000       4.54453000       2.75086000       0.94689094      -0.23280931       1.00608698
O       -1.40323000       4.62027000       2.82104000      -0.40799629      -0.30480157      -0.25810873
O        0.20800000       1.91426000       2.68601000      -0.67384848      -0.51721761       1.04749508
O        1.45243000       0.97946000       5.21998000       1.34175423       0.78268222       0.46959130
O        4.81527000       1.08334000       5.21093000      -1.67566210       0.21232367       1.23671257
O        3.03633000       3.81253000       5.12207000       0.39790469      -0.99668224       2.07760278
O        4.23152000       2.43267000      14.85162000      -0.00629735      -0.28239339      -1.75447018
O        1.66436000       2.31619000      14.42162000      -1.49391571       1.27957002       0.43845329
O        2.84190000       0.05621000      14.58227000       0.48501892      -1.37224284       0.51868165
O        1.17231000       4.27587000      24.16016000       1.06552260      -0.17851471       0.30602138
O       -1.32195000       4.25654000      24.25461000      -1.61338109       0.09722294      -0.82406257
O       -0.06577000       1.89342000      24.21870000       0.08577086      -0.30206499       0.27614956
O        2.69013000       5.04161000      21.47309000      -1.41444529       0.40280500       1.44727499
O        3.01296000       1.98200000       2.64084000       1.24435863      -0.63046197       0.61515907
O        0.31686000       3.17900000      12.08012000       0.31497834      -0.53943760       1.04996505
O        0.11118000       0.26002000       7.47027000       1.25114373      -0.53302683       0.11212647
O        2.72396000       1.60344000      16.63553000      -0.66294824       0.06947528       2.35405014
O       -0.16451000       3.55319000      26.44165000       1.02201563      -0.78362936      -0.10481397
O        0.07727000       0.21837000       0.48131000       1.25241761      -0.23265221       0.22981131
O        3.19929000       1.54134000      10.04117000       1.73677388      -1.44156833      -0.91963789
O       -0.42797000       3.60350000      19.45485000       2.51958536      -2.39856868      -1.37951407
O       -0.15794000       1.51960000      16.55666000       1.15583233       1.15622424       3.82751670
O        1.48705000       4.20114000      16.93899000      -1.62104022      -0.10098124       0.14621777
O       -1.75036000       4.31402000      16.76824000      -0.48442325       0.14654930       1.35435490
O        2.91991000       3.30696000      26.61167000      -0.18869503      -0.24947971      -1.22931032
O        1.54927000       1.09490000      26.56680000      -0.61790464      -1.08257984      -0.42610946
O        4.19395000       1.06464000      26.53142000       0.64243189      -0.85910936      -1.49631856
O        3.06454000       0.05985000       7.60292000      -0.04335719      -1.14463999      -0.70564642
O       -1.07809000       2.80300000       7.63570000      -1.87991611       0.13027670      -2.43983185
O        1.55534000       2.93634000       7.52832000       0.00038498      -1.25748576       0.12974286
Zn       5.68153000       0.00023000      27.09023000       1.07384193       0.90383083       1.12226261
Zn       3.07632000       1.92359000       7.92484000       1.17997398      -0.23722830       1.44424363
Zn      -0.18553000       3.31258000      17.54026000      -0.60964445       0.11027702      -0.38482506
Zn       2.92452000       5.00341000      23.65304000      -0.90947221       0.94715290      -0.59748997
Zn       3.05657000       1.87968000       4.55347000       0.92306950       0.03214729      -0.01050647
Zn      -0.15072000       3.17674000      13.92486000       0.51327246       0.59637338       0.73861470
Zn       2.86082000       4.63855000      13.29350000       0.72044983       0.77467636       0.51999443
Zn       2.59002000       1.57234000      22.77430000       0.29609160       0.36326704      -0.03434637
Zn       0.43037000       3.34277000       4.05885000      -0.49630130       1.29565569      -1.01435401
Zn      -2.75652000       4.94318000       9.69380000       0.25415969       0.71283921      -0.97219973
Zn       2.38074000       1.80562000      18.65452000       1.62521181      -0.45968919      -0.40421217
Zn       0.13486000       3.29213000      28.36784000      -0.59651864       0.81736293       0.98337632
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.32470194 magmom=71.9962801 free_energy=-551.32470194 stress="-0.0437112381249397 -0.0010098243096270752 0.006037950444670476 -0.0010098243096270752 -0.033455449776339664 -0.004624577055868122 0.006037950444670476 -0.004624577055868122 -0.03134844076985798" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32850000       0.77678000      15.56704000      -0.42120645      -0.37526071       1.22310517
Cr       4.29685000       0.85673000      15.77190000       1.06590140      -3.58356512       1.54168105
Cr       2.81168000       3.28058000      15.77448000      -0.08494641       2.18564327      -0.04837142
Cr       4.34404000       2.53595000      25.44143000       1.56877412       1.44740956      -2.79822388
Cr       1.49548000       2.58726000      25.34505000      -1.90308594      -1.24913272       0.16993135
Cr       2.80147000       0.03940000      25.34496000      -0.09860139      -0.56146294      -0.50784336
Cr       1.62073000       4.64953000       6.48856000       2.63247577      -3.91505696      -0.50356230
Cr      -1.31670000       4.53351000       6.38117000       1.04399260      -0.05437025       0.80240106
Cr       0.13611000       1.86948000       6.41477000       0.39955523       2.14527477       1.09595824
Cr       5.65379000       0.04302000      18.08903000      -0.29836821       0.14682295      -0.19858216
Cr       3.04337000       1.69581000      27.88600000      -0.78532101       0.20504514      -2.90186474
Cr       0.20530000       3.50913000       8.75151000       0.17719217      -1.50660052      -0.81788783
Cr       0.07887000       0.22451000       4.01551000       0.95727894       0.38517014       0.29809326
Cr       3.12187000       1.50480000      13.43175000      -1.24065863      -0.47449641      -0.52779885
Cr      -0.05961000       3.40395000      22.90938000      -0.57904303      -0.62137611      -0.68503807
Cr      -0.41230000       1.71670000      20.54604000       1.82646559      -0.55132897      -1.02360077
Cr       1.15014000       4.35456000      20.36068000       2.17508349      -0.87337609       1.41685223
Cr      -1.72665000       4.20246000      20.51326000      -0.43344880       2.21235437       0.19757378
Cr       3.12636000       3.69628000       1.67671000      -0.72251456      -0.35842435      -1.54826538
Cr       1.74224000       1.08982000       1.57471000      -2.49394725      -1.26153666       0.97975345
Cr       4.65443000       1.01132000       1.56115000      -1.29096487       1.48032822       0.98473136
Cr       0.19981000       4.80126000      11.13732000      -1.07461080       1.11125507       0.92642358
Cr      -1.17816000       2.25563000      11.12471000       0.75076138      -0.12141012      -1.10619190
Cr       1.82916000       2.22907000      11.14794000      -1.49626290       2.02000061      -2.50825519
O        0.93210000       0.85659000      19.35205000       0.95253845      -0.38356577       0.24137349
O        4.22690000       0.88000000      19.21060000      -0.41824232      -0.32386286       0.38450748
O        2.75568000       3.60002000      19.28525000      -0.72469349       0.33708305       0.26487151
O        4.33441000       2.68049000       0.38283000       0.07757670      -0.73157813       0.55388122
O        1.73842000       2.63962000       0.31677000       1.53195148      -0.50348546       1.58543365
O        3.20781000       0.16196000       0.50552000      -0.67870483       0.65901857      -0.03824998
O        1.54710000       4.04098000      10.10922000       0.54188313      -1.86662195      -1.14530442
O       -1.15811000       3.96056000      10.04569000      -0.75113167      -0.02086065      -0.05327424
O        0.33682000       1.75721000       9.81982000      -0.02377669       0.57638151       1.10500607
O        1.81032000       0.69567000      12.19610000      -0.59013426      -1.22651000       0.53647637
O        4.41965000       0.51973000      12.24064000       1.88544925       1.44164377       1.12919615
O        3.30119000       3.01646000      12.22396000      -0.15495531      -0.07328379      -0.24187290
O        4.30172000       2.66926000      21.67209000      -0.59192082       0.11148137       1.66894150
O        1.06247000       2.54530000      21.54188000       0.85655202       0.68903247       0.80852639
O       -0.04558000       4.96974000      21.70633000      -2.02080716       0.60084787       0.49422063
O        1.72053000       4.59573000       2.77307000       0.05402988      -0.40842037       0.44286978
O       -1.56458000       4.63683000       2.86647000       1.66206633      -0.60238622      -0.86008564
O        0.20554000       1.88604000       2.76297000      -0.51363739      -1.32624925      -0.74306112
O        1.49103000       1.26376000       5.24029000      -0.70709244      -2.70769655      -0.17119580
O        4.70333000       0.96780000       5.28584000      -0.61907928       1.38014454      -0.52001057
O        3.18144000       3.76887000       5.53991000      -2.08279948      -0.21693293      -3.48729347
O        4.29538000       2.38832000      14.75312000      -0.43511618       1.14232472      -1.13223713
O        1.58355000       2.42890000      14.42403000       1.07157070      -0.75747129       0.84857567
O       -0.13220000       5.09232000      14.54987000       0.66784111      -0.11390573       1.01691486
O        1.28065000       4.14524000      24.19564000       0.05965980       0.79765002       0.12816370
O       -1.42000000       4.12492000      24.24377000      -0.01544048       0.08444998      -0.14391780
O        0.08014000       1.83302000      24.19224000      -1.13321865       0.15943862       0.30857736
O        2.72069000       5.10618000      21.52497000      -0.39821580      -0.21396842       0.49535433
O        3.00152000       2.05542000       2.61123000       1.63155743      -1.31668756       1.28714802
O        0.29984000       3.06416000      12.10147000      -0.21001061       0.25041471      -0.41266630
O        0.29906000       0.21650000       7.63578000      -1.03021998       0.23078311      -1.52138304
O        2.83146000       1.63484000      16.77609000      -0.53760253      -0.38356911      -0.90127084
O       -0.14709000       3.50058000      26.40067000       1.12472260      -0.74528068       0.63988784
O        0.10372000       0.18563000       0.49784000       0.96911378       0.20024677      -0.07264737
O        3.34674000       1.42788000      10.07151000      -1.37994484       0.13050855      -0.87290394
O       -0.24262000       3.49897000      19.38352000      -0.91918115      -0.76710188       0.84279222
O       -0.02557000       1.63436000      16.76241000      -0.98643400      -1.93658178      -0.57744399
O        1.39750000       4.13994000      16.84241000       0.94032896       1.51059153      -0.68436557
O       -1.80217000       4.40969000      16.94012000      -0.03004047      -0.78804983      -1.50846607
O        2.89431000       3.20186000      26.51848000       0.06296163       0.23777416       0.72847146
O        1.43404000       0.86960000      26.50378000       1.23587469       0.95678771       0.22551483
O        4.21782000       0.93901000      26.33979000      -0.19662364      -1.37191533       2.27366961
O        0.16299000       5.09750000       7.46456000      -1.03025606       1.23101167       2.07435872
O       -1.21125000       2.88043000       7.48690000       0.70715475      -0.22435112      -0.01852202
O        1.55209000       2.89067000       7.34944000      -0.52901557      -0.33848846       1.52162951
Zn       2.70943000       5.03732000      27.11485000       1.26311471       0.31836381       0.37986958
Zn       3.13238000       1.84913000       7.96184000      -0.45965566       0.50136617       1.16854229
Zn      -0.24131000       3.32862000      17.51928000      -0.37106803       1.04673077      -0.26069306
Zn       2.91955000       5.05554000      23.64006000      -0.49768713       0.47894277      -1.31352961
Zn       3.12534000       1.84641000       4.60599000       0.44591880       1.26647493      -0.58374845
Zn      -0.12403000       3.19376000      13.89460000       0.48513445       0.77820586       1.21325161
Zn       2.97413000       4.64356000      13.15157000       0.09592331       1.59537855       1.22342514
Zn       2.69884000       1.63932000      22.90049000       0.23692584       0.14521462      -1.22856489
Zn       0.13666000       3.28595000       4.05327000       0.03529315       1.61439556      -0.00991021
Zn      -2.84834000       4.99679000       9.84501000       1.72907459       0.41642315      -1.61217087
Zn       2.34802000       1.87773000      18.59952000       0.96257814      -0.84318431       1.12049307
Zn       0.12062000       3.28818000      28.44327000      -0.92459023       1.47099237      -1.05817345
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.21273422 magmom=72.0012097 free_energy=-550.21273422 stress="-0.0398550345455147 -0.0006526470592723308 -0.0015722053469624565 -0.0006526470592723308 -0.053594073946182506 0.006142054847290405 -0.0015722053469624565 0.006142054847290405 -0.0402970629091831" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39162000       0.75600000      15.64351000      -0.82296935      -0.04756090       1.08973052
Cr       4.39662000       0.80418000      15.78329000       0.00576282       0.80866943      -1.47919452
Cr       2.87696000       3.32270000      15.73819000      -0.12626778       1.12861023      -0.51535487
Cr       4.41091000       2.44665000      25.43272000       0.21697783      -0.18549708      -1.37129691
Cr       1.43483000       2.43797000      25.29800000       0.97643756       0.30291375       0.68866468
Cr      -0.17366000       5.08725000      25.28801000       1.27237266      -2.04737618      -0.54546451
Cr       1.70760000       4.59095000       6.41935000      -1.56018468      -3.21810936       1.60701279
Cr      -1.30822000       4.53919000       6.49483000      -0.46490975       0.26517040      -3.55039194
Cr       0.05338000       1.88598000       6.42592000       2.13601379       0.42532494      -1.51946058
Cr       5.57689000       0.07743000      18.08667000       0.32042138      -1.05428689       1.34924821
Cr       3.08564000       1.73067000      27.82798000      -1.19407247      -0.46559267      -1.13183962
Cr       0.23592000       3.51570000       8.61395000      -1.38145570      -0.88453341       3.10578218
Cr       0.07512000       0.23895000       4.03141000       1.21744768      -1.08223102       0.01795637
Cr       3.08505000       1.42964000      13.50019000      -1.72500243       0.60635685      -2.09164850
Cr       0.01017000       3.39504000      22.94389000      -1.24974457       0.33984565      -1.86153448
Cr      -0.37234000       1.76644000      20.52562000       0.68693802      -1.10004436       0.67637136
Cr       1.21778000       4.36077000      20.42296000       0.11044861      -0.36085370       1.52598463
Cr      -1.71558000       4.37593000      20.49790000       0.16246636      -1.15747299       1.51895471
Cr       3.04044000       3.71336000       1.59194000       0.72861284      -1.83280506       1.58085691
Cr       1.76775000       0.95936000       1.54985000      -2.57233141       1.17312999       3.15279451
Cr       4.55380000       1.06986000       1.55190000       2.34276305      -0.98481432       2.20620165
Cr       0.11067000       4.81136000      11.14761000       1.19728138       0.96711994       0.19149817
Cr      -1.16528000       2.23782000      11.00986000      -3.20918505      -0.02104398       1.15595292
Cr       1.61707000       2.27012000      11.06269000       5.13175858       0.59341290       1.51735827
O        0.98911000       0.84033000      19.36881000       0.19109147      -0.29896712      -0.26228131
O        4.12657000       0.83704000      19.30539000       0.65177354       0.65865130      -0.66929640
O        2.67960000       3.69171000      19.29714000       0.58041992      -0.64801535       0.09078102
O       -1.51169000       2.68806000       0.45848000      -0.89996078      -0.55981863      -0.86517814
O        1.82718000       2.65168000       0.46088000      -0.65589754      -0.23818231      -0.71411562
O        3.14851000       0.25466000       0.52766000       0.49626881      -1.23164004      -1.88436187
O        1.54328000       3.95486000      10.08922000       0.19834157       0.65456421      -1.00917728
O       -1.23042000       3.95325000       9.99055000       0.16258816       0.03464086      -0.22032008
O        0.38036000       1.82270000       9.83206000      -2.54380208      -1.21261118      -1.88398088
O        1.73317000       0.67588000      12.18203000      -0.75047685      -0.99532058       0.30897376
O        4.45989000       0.64589000      12.37789000       0.57663928      -0.63489849      -1.55991794
O        3.15366000       2.90641000      12.28368000       0.16117791       0.81094897      -1.80235513
O        4.21915000       2.60201000      21.68506000       0.82365238       1.53576932       0.66830527
O        1.17625000       2.75917000      21.46736000      -0.19956483      -1.68542097       2.14663936
O        0.00339000       5.06009000      21.81071000      -2.13598921      -0.43658409      -0.03132851
O        1.80979000       4.59413000       2.83415000      -1.84591974      -0.98212866      -1.15814829
O       -1.53521000       4.54935000       2.75065000       1.15967816      -0.63139731       0.96547491
O        0.11112000       1.58898000       2.71943000       0.85274209       2.99141811       0.09606005
O        1.39732000       1.04367000       5.28847000       1.18485505      -0.06108984      -0.22319130
O        4.55513000       1.03279000       5.39067000       1.99247089      -0.88783493      -0.35360204
O        3.06652000       3.76953000       5.41230000       0.62434843       0.02387530      -1.50351584
O        4.23920000       2.46290000      14.52184000       1.12067963      -0.25520125       2.50645771
O        1.67139000       2.39042000      14.61447000      -1.34798208      -0.47760144      -1.44039058
O       -0.03704000       5.04638000      14.73134000       0.16252626      -0.10024063      -0.55081647
O        1.35734000       4.09931000      24.25119000      -0.65153370       0.47403496      -0.50260145
O       -1.50022000       3.98319000      24.19225000       0.58240868       0.92927542       0.45569423
O       -0.00259000       1.83973000      24.21705000      -0.92231707      -0.73438633      -0.52581566
O        5.62439000       0.07033000      21.58307000       0.88371497      -0.17164194      -0.33722704
O        3.26283000       1.89324000       2.71609000      -1.59831389       0.47049194      -0.95180549
O        0.22141000       3.03347000      12.05089000      -0.74494280       1.19546068       1.13021898
O        0.27942000       0.20469000       7.48540000      -2.05816401       0.48622614       1.15529913
O        2.84196000       1.60827000      16.72940000       0.18781130       0.25228323       0.33263493
O        0.05433000       3.29840000      26.37091000      -1.10062284       0.43474120       0.92399814
O        0.26440000       0.20563000       0.54341000      -1.24105429       0.18310507      -1.71304055
O        3.30456000       1.32542000       9.98968000      -0.80144041       0.93868571       0.41325286
O       -0.08229000       3.25232000      19.43320000      -1.79081507       2.76284379      -1.44948036
O       -0.01028000       1.49580000      16.92564000      -0.64082021       2.06042305      -2.09291355
O        1.43097000       4.30197000      16.65076000      -0.05214326      -1.52499860       2.29823610
O       -1.86714000       4.38910000      16.86489000       0.99641609      -0.84842876       0.53852748
O        2.88663000       3.08465000      26.44823000       0.54899185       1.08901204       0.77748024
O        1.53924000       0.80919000      26.41454000      -0.68347125       0.46596886       1.48262546
O        4.18635000       0.66587000      26.42649000       0.03885490       2.04586380       0.73209436
O        3.08345000       0.00452000       7.59513000       1.09496676      -0.01325240      -0.74328977
O       -1.22817000       2.88882000       7.33352000      -0.68508906      -1.00994936       2.91790228
O        1.44212000       2.76137000       7.43735000       2.17423906       0.47415753      -0.51575905
Zn       2.76169000       4.98194000      27.17119000       1.62678451      -0.22556234       0.24373000
Zn       3.17536000       1.80440000       8.06594000      -0.52865947       1.41540219       0.55167116
Zn      -0.31576000       3.39411000      17.47536000       0.65241418       0.14454773       0.21737242
Zn       5.83757000       0.02496000      23.56705000      -0.06478385      -0.69657656      -0.70449051
Zn       3.19611000       1.88379000       4.62695000      -3.03175426       1.37661073      -0.70601364
Zn      -0.05916000       3.25068000      13.92379000       1.10786093       0.00241719       0.78303560
Zn       3.10560000       4.73052000      13.07137000      -0.14971869       0.44071549       1.01187195
Zn       2.82736000       1.71705000      22.98790000       0.45613844      -0.11798328      -1.49727927
Zn      -0.17217000       3.31079000       4.04578000       0.54936256       0.75088949      -0.96223098
Zn      -2.86014000       5.07750000       9.91514000       0.67539850      -0.91692192      -1.38861580
Zn       2.37487000       1.91000000      18.59365000       1.14447978      -0.54167479       0.92041347
Zn       0.08777000       3.36546000      28.47640000       1.26656183       0.86697257      -0.76439203
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.50574306 magmom=71.9980113 free_energy=-551.50574306 stress="-0.0295406295133476 -0.0017069644098504123 -0.000967335598260154 -0.0017069644098504123 -0.04333653465454437 0.0037376759479924625 -0.000967335598260154 0.0037376759479924625 -0.0390434292998017" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40621000       0.73070000      15.78795000       0.87404127       0.79586071      -0.86842102
Cr       4.50838000       0.75028000      15.80306000      -2.78280524       0.66373136      -2.36765586
Cr       2.90694000       3.42526000      15.68157000      -1.08585180      -2.26283742      -0.78395331
Cr       4.45653000       2.36166000      25.39806000      -1.93480645       0.72057257       0.63088793
Cr       1.42308000       2.30599000      25.30659000       0.79577161       2.01547447      -0.14980178
Cr      -0.13399000       4.94540000      25.25407000       1.21108526       0.80059417       2.45630997
Cr       1.71128000       4.33584000       6.43483000      -1.00887612       1.64305430      -1.56200935
Cr      -1.31900000       4.53573000       6.45796000      -0.63434580      -2.04389051       0.65872640
Cr       0.09700000       1.95301000       6.37493000       0.52200398      -1.43160892      -0.32388768
Cr       5.47823000       0.08211000      18.12085000       2.58231874      -0.22937772       1.15433223
Cr       3.07215000       1.73545000      27.75487000      -2.10917418      -1.05793678       1.23481695
Cr       0.19928000       3.46276000       8.64060000      -0.66745519      -0.57271102       1.31864525
Cr       0.12719000       0.20709000       3.99877000      -0.72925966       0.08143669      -2.35902472
Cr       2.97711000       1.40638000      13.44081000       1.16878466       1.23633554       0.39416537
Cr      -0.00979000       3.40684000      22.89034000      -2.91601880       0.29023532       1.65351935
Cr      -0.28810000       1.76959000      20.51139000      -0.08306989       2.08785898       0.12461002
Cr       1.30015000       4.34333000      20.54193000      -2.38757513      -0.31277696       0.36464189
Cr      -1.70042000       4.46750000      20.56878000       1.82339262      -3.02596281       0.05451889
Cr       2.99989000       3.63430000       1.58441000       1.05203181      -1.10984146       0.31432929
Cr       1.67315000       0.90103000       1.62841000       0.57844136       1.15438105      -0.70817435
Cr       4.56464000       1.07214000       1.61240000       0.86239443      -2.04768661      -1.16872933
Cr       0.08501000       4.87484000      11.16126000       1.28706874      -1.19393627      -1.52868236
Cr       4.57897000       2.22917000      10.95851000      -0.24650074       1.57218159       1.51178614
Cr       1.62780000       2.34602000      11.02012000      -1.88720215      -0.82067444      -0.50565560
O        1.05534000       0.79141000      19.33031000      -0.61126005       1.43763267      -0.74187446
O        4.15889000       0.89158000      19.34566000       0.70740285      -0.09159989       0.03531796
O        2.71924000       3.70341000      19.37292000      -0.24408274      -0.42967919      -0.36784350
O        4.26445000       2.59789000       0.41227000       1.90922775       0.76312108      -0.55678452
O        1.83421000       2.57059000       0.50786000      -1.86058940      -0.07561511      -1.00202010
O        3.11862000       0.16430000       0.34634000      -0.12229076       1.46809789       1.47624675
O        1.52007000       3.92386000       9.92050000       0.90039216       1.55120245       1.41584175
O       -1.23750000       3.94532000       9.95563000      -0.28563718       1.00889790       0.30252415
O        0.08730000       1.80534000       9.69682000       0.98096500      -0.13690979       1.29500723
O        1.64016000       0.52504000      12.20016000       1.12833096       1.99576624      -0.66476661
O        4.53761000       0.71323000      12.27467000      -0.85875450      -0.87369644      -0.42823962
O        3.05340000       2.86798000      12.05870000       0.85234837       1.42379751       2.01752097
O       -1.54395000       2.80838000      21.77450000      -0.20857520      -1.21853443      -0.64366687
O        1.20267000       2.73859000      21.69610000       1.19418559      -1.24964613      -1.75907941
O       -0.31664000       5.00988000      21.84960000       1.59400932       1.24071459      -0.93105502
O        1.69942000       4.48761000       2.70556000       0.50080093       0.97952513       0.66302711
O       -1.37503000       4.40089000       2.76173000      -1.68839050       0.87971776      -0.20539939
O        0.13686000       1.70365000       2.72062000       0.39422793       0.58726960       0.73037860
O        1.48841000       0.82670000       5.28603000       0.79793679       2.85991979      -0.77881150
O        4.73991000       0.94485000       5.37037000      -1.66480660       0.16265104      -1.39224791
O        2.97554000       3.78048000       5.03522000       0.74820673      -1.06634180       2.69434473
O        4.27114000       2.42166000      14.69402000       0.53259266      -0.32722189      -1.25295676
O        1.61365000       2.25568000      14.59728000      -0.19182657       0.78940552      -0.86691763
O        0.05558000       5.06829000      14.81690000      -0.58577063      -0.16504971      -1.32889970
O        1.27488000       4.10184000      24.19859000       1.01486553      -0.25670125      -0.34693576
O       -1.42137000       3.98893000      24.23275000      -1.08638729       0.60235706      -0.52979723
O       -0.18111000       1.78808000      24.14803000       2.03609163      -0.33371796      -0.43031111
O        5.71171000       0.11930000      21.50879000      -0.99868975       0.11607307       1.32983547
O        3.20212000       1.81468000       2.65402000      -1.66542001       0.76436654       0.72533150
O        0.06289000       3.18503000      12.07203000       0.71009058      -0.75137631      -0.04928709
O       -0.00866000       0.24445000       7.41215000       2.07734260      -0.51689372       0.88247045
O        2.90811000       1.63541000      16.66218000      -0.03033015       0.48181606       1.81639233
O        0.06859000       3.16650000      26.40348000      -0.79873579       0.71580415       0.04501663
O        0.22651000       0.22958000       0.43694000      -0.73435544      -0.50194341       1.63135200
O        3.07836000       1.39896000      10.05096000      -0.45801414      -0.03852558      -0.08757852
O       -0.23178000       3.44963000      19.42972000       0.20212651       0.46975150       0.46062477
O       -0.05092000       1.60094000      16.75751000       0.55503104       0.14428772       1.55056491
O        1.48577000       4.20960000      16.82830000      -0.48468121      -0.07170732       0.17406148
O       -1.80341000       4.28612000      16.83824000      -1.45600039       1.24360694       0.94153840
O        2.94472000       3.14707000      26.45001000      -0.18400364       0.01789008      -0.75150312
O        1.59413000       0.83192000      26.47398000      -0.24410680      -0.76335812       0.18146822
O        4.14435000       0.71680000      26.57239000       1.68847748       0.03908032      -1.78698018
O        0.24812000       5.06049000       7.57746000      -0.76592113       0.14170048      -0.76764643
O       -1.23646000       2.78015000       7.58883000       0.30975673       0.98885583      -1.96717468
O        1.59627000       2.73321000       7.46001000      -0.29134569      -0.54470380       0.01600758
Zn       2.88831000       4.92391000      27.23318000       0.12012533       0.59212808      -0.83302689
Zn       3.18492000       1.82393000       8.19367000      -0.60535685      -0.48484328      -0.50196805
Zn      -0.34538000       3.46404000      17.43874000       2.41076389      -1.10945554       1.35437457
Zn       5.80293000       0.06362000      23.46796000       0.28382206      -1.94777157       0.40921800
Zn       3.13747000       1.97388000       4.61508000      -0.35353849      -1.81900521      -0.37831175
Zn       0.05550000       3.30720000      13.99338000      -0.29265842      -0.59572929       0.45883595
Zn      -2.69247000       4.83753000      13.06182000      -2.22644327      -1.02575367       1.79412744
Zn       2.96851000       1.78456000      23.01201000      -0.24419807      -0.20477572      -0.93897582
Zn      -0.43342000       3.37372000       4.00347000       2.04941795      -0.23362229      -0.01551169
Zn      -2.82501000       5.10878000       9.90443000       0.22732984      -1.86423641      -1.56893623
Zn       2.46006000       1.90960000      18.63535000       1.03127327      -0.37495887       0.13529268
Zn       0.11050000       3.48484000      28.46651000       0.00063586      -1.34453908      -0.20750838
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.09700734 magmom=72.0052874 free_energy=-552.09704233 stress="-0.03445379958324255 -0.0010781994616407774 0.004328736894523533 -0.0010781994616407774 -0.030534960718358276 -0.003333080810612213 0.004328736894523533 -0.003333080810612213 -0.03389906438834487" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45149000       0.76188000      15.88832000       0.52041253       1.08866323      -1.25332443
Cr       4.49695000       0.74484000      15.80127000      -1.70320121       0.39077280      -0.40278129
Cr       2.88179000       3.40563000      15.60810000      -0.22151513      -1.52312859       1.48735600
Cr       4.38532000       2.32457000      25.41240000       0.82094999       1.78901669      -2.87405787
Cr       1.46852000       2.29135000      25.33173000      -0.65382556       1.67712784      -1.23874878
Cr      -0.02919000       4.86037000      25.35333000       0.20870163       1.19203770       0.33761360
Cr       1.66079000       4.20827000       6.38510000       0.01842756       3.39980952      -1.41391297
Cr      -1.35415000       4.45433000       6.42786000      -0.41909402       0.41124766      -1.32939855
Cr       0.16740000       1.92265000       6.29618000      -0.64237496      -2.25747934      -0.46737467
Cr       5.49092000       0.09699000      18.16866000       2.48487641      -0.69299244       1.26243591
Cr       2.98581000       1.69442000      27.73192000       0.05070979       0.28133134       0.41902965
Cr       0.13081000       3.39763000       8.76149000       0.98426056       0.96587451      -2.76059885
Cr       0.13078000       0.16821000       3.87007000      -0.79869812       1.13336199       2.00672067
Cr       2.94635000       1.46576000      13.39512000       2.49635731       0.73095437      -0.69831174
Cr      -0.14655000       3.43530000      22.90038000       1.67215010      -0.28738518       1.36730387
Cr      -0.21268000       1.84904000      20.48882000       0.21190989       0.23661427       0.47483289
Cr       1.27567000       4.31933000      20.63144000      -0.46239296       0.69591104      -0.49522315
Cr      -1.63147000       4.40242000      20.62630000      -2.72785183       1.07663499      -1.10015280
Cr       3.00388000       3.49960000       1.59464000      -0.38050706      -0.02914065      -1.54327351
Cr       1.60312000       0.93066000       1.65094000      -0.62246637       1.04676987      -1.83501906
Cr       4.61225000       0.97824000       1.61374000      -2.01457492       2.33676667      -0.81366171
Cr       0.12729000       4.87165000      11.09776000      -0.33861548       0.20798787      -0.13380245
Cr       4.41684000       2.30743000      11.00651000       1.76000309       1.24087286       0.79689296
Cr       1.56617000       2.39523000      10.99767000      -2.07598799       0.48075810       1.70610603
O        0.99550000       0.93055000      19.24602000       0.62835785      -0.15812871       0.58407440
O        4.30237000       0.95165000      19.39428000      -0.97232395      -0.10636180       0.13010277
O        2.72876000       3.66995000      19.42910000      -0.20051296       0.47842417       0.05976714
O        4.39178000       2.61436000       0.26019000      -1.16806207      -0.32890877       0.96979443
O        1.59533000       2.48713000       0.39319000       1.68262351       0.34743938       0.00182409
O        3.07599000       0.30036000       0.42538000       0.16205518      -1.03675265       0.58753054
O        1.54488000       4.09156000       9.97770000      -0.93043690      -1.11161501      -0.01261425
O       -1.23095000       4.06156000       9.98040000      -0.40120223      -0.75325025      -0.15221854
O       -0.05251000       1.80028000       9.78556000       1.06761954      -0.47278545       1.10545003
O        1.74000000       0.71260000      12.11532000      -1.86913862      -0.34816522       0.65575610
O        4.43559000       0.65473000      12.07718000       0.65286111       0.60828292       1.69103538
O        3.04563000       3.04200000      12.13788000      -0.52496955       0.45515056       0.88410996
O       -1.43585000       2.78673000      21.71933000      -1.97675017      -1.16748300      -0.30106786
O        1.26329000       2.59538000      21.70130000      -0.52903337       1.11115621      -0.58798503
O       -0.29589000       5.08686000      21.76743000       1.95984275       0.33522329       0.72160020
O        1.75108000       4.54897000       2.65454000      -0.48526860      -0.89228526       1.26376924
O       -1.55857000       4.44923000       2.70249000       0.97360515      -1.05275405       0.10047620
O        0.19510000       1.85354000       2.78612000      -1.11256390      -0.97828363      -0.24998221
O        1.63178000       0.99841000       5.23359000      -2.32401801      -1.36139821       0.50556035
O        4.72274000       0.87046000       5.13725000      -0.45922135       0.80421663       0.73221914
O        3.04682000       3.74964000       5.13474000       1.20064115       0.16572877       0.39522702
O        4.33493000       2.31371000      14.68620000      -0.22361333       0.92807305      -1.02215154
O        1.58009000       2.21186000      14.45869000       0.51615423       0.57057556       1.60710770
O        2.97955000       0.02140000      14.68179000      -0.25704019      -0.55533398       0.87529469
O        1.28430000       4.04553000      24.11577000       0.43973684      -0.05756054       0.67978296
O       -1.45095000       4.10269000      24.23039000      -0.39301450      -0.19371699      -0.02738252
O       -0.02895000       1.78199000      24.10302000      -0.28086786      -0.08169855       0.71564518
O        5.66247000       0.15945000      21.53904000       0.19752396      -0.16321065      -0.22012692
O        2.90707000       1.87101000       2.61210000       2.36444837      -0.23707682       0.79487281
O        0.03646000       3.20846000      12.04746000       0.19625193      -0.73569553       0.72860042
O        0.04451000       0.15390000       7.39693000       0.79204885      -0.15421783       0.09454961
O        2.95688000       1.71704000      16.82071000       0.07705861      -0.65741930      -1.51413872
O       -0.05519000       3.17626000      26.37496000       0.88103815       0.38929437       0.37511816
O        0.06327000       0.12817000       0.61955000       1.00827292      -0.70401482      -1.71313559
O        2.87621000       1.46320000      10.08802000       1.77515200      -0.28673155      -1.28573448
O       -0.31742000       3.73217000      19.50759000       1.91427782      -2.01999173      -1.15561821
O       -0.00971000       1.68950000      16.77775000      -0.71418782      -1.37968213       0.32365684
O        1.48848000       4.03595000      17.03710000      -0.01422499       1.58607600      -2.49330741
O       -1.96335000       4.36777000      16.94741000       1.18317814      -0.61464038      -0.28829461
O        2.93661000       3.17848000      26.33687000      -0.63737382      -0.56532368       1.13173404
O        1.61550000       0.75880000      26.52395000       0.46960406      -0.05897581       0.07353511
O        4.32102000       0.78410000      26.44699000      -0.39313669      -1.40149084       1.10766257
O        0.20212000       4.94839000       7.40246000       0.02051522       0.92197172       2.01701467
O       -1.17861000       2.83100000       7.48970000      -0.88519068      -1.23839308      -0.12614665
O        1.65140000       2.64789000       7.43554000      -1.48243261      -0.17733246       1.08405680
Zn       3.01381000       4.90220000      27.25567000      -0.34907427       0.66862124      -0.00136396
Zn       3.17129000       1.82779000       8.28559000       0.56860057      -0.72546998      -2.13147969
Zn      -0.27345000       3.48360000      17.46723000      -0.51586583       0.07720880       1.31871382
Zn       5.78597000       0.00181000      23.40044000       0.29417747      -0.76000405       1.37073096
Zn       3.06114000       1.96860000       4.58663000       0.98445648      -1.24943074      -0.64495204
Zn       0.14089000       3.33118000      14.07299000      -1.30359365      -0.37086329      -0.80023208
Zn      -2.69447000       4.89198000      13.13852000      -0.84127293       0.04844461       0.13562790
Zn       3.07927000       1.83301000      22.99132000      -0.92952110      -0.46216705      -0.79965694
Zn      -0.56083000       3.41756000       3.98000000       2.15600014      -0.50821301       0.14031828
Zn      -2.77950000       5.05714000       9.81738000      -0.00142236       0.27786415      -1.80406614
Zn       2.59087000       1.88842000      18.68360000       0.41705760      -0.22367854       1.27290347
Zn       0.13228000       3.53891000      28.44378000      -0.57547852      -0.01563323      -0.40221732
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.25569865 magmom=71.9988381 free_energy=-552.25569865 stress="-0.05069228428726302 0.0004174789478990256 -0.001098963764132839 0.0004174789478990256 -0.03435546692880566 -0.008037909362058768 -0.001098963764132839 -0.008037909362058768 -0.0464471677990422" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50177000       0.84283000      15.91833000      -1.78752244      -1.85774097      -1.44651397
Cr       4.40972000       0.74618000      15.83899000       0.10374687       0.29236923      -2.70418666
Cr       2.85515000       3.31463000      15.62601000       2.12152360       1.91419765       1.33205303
Cr       4.32323000       2.36684000      25.34115000       1.79914140       0.46845940      -1.01199362
Cr       1.49551000       2.36815000      25.32113000      -0.88652048      -0.35382980      -0.92438427
Cr       0.09032000       4.87251000      25.48932000      -0.54335323       1.00032340      -2.61430216
Cr       1.60299000       4.28842000       6.27796000      -0.35924143       0.73164041       1.08336999
Cr      -1.36203000       4.38671000       6.35667000       3.14251525       0.19560652       0.56962086
Cr       0.17746000       1.77031000       6.21696000      -3.01150332       1.44508354       2.44502515
Cr       5.61387000       0.10249000      18.22136000       0.50166511      -0.96270860       0.01088039
Cr       2.91556000       1.67723000      27.71190000       2.27266667      -0.89988741       0.98193236
Cr       0.09991000       3.36962000       8.73138000      -0.26878887      -0.66996271      -1.73687118
Cr       0.08099000       0.18723000       3.85908000       0.56322690      -0.93499416       1.20285410
Cr       3.04318000       1.56381000      13.33294000      -0.82607230      -0.81972259       0.94748930
Cr      -0.20045000       3.44159000      22.97529000       1.92513656      -0.62188875      -1.34897622
Cr      -0.14237000       1.92283000      20.47070000      -1.54808569      -1.42838564       0.97026977
Cr       1.24772000       4.34904000      20.64956000       1.54368310       1.81416856      -1.11302147
Cr      -1.68458000       4.37695000      20.59474000       0.18505964       1.10847531      -0.10783621
Cr       2.98787000       3.37397000       1.51935000      -0.27321510       3.15479240       0.42075713
Cr       1.51536000       1.02017000       1.57089000      -0.46336452      -1.74734073       0.74875624
Cr       4.55307000       0.97930000       1.56745000      -0.33769989      -0.23264222       0.72228791
Cr       0.13557000       4.89473000      11.05576000      -1.88733707       2.14952586       2.01612544
Cr       4.36404000       2.45520000      11.12126000       1.12718723      -0.69680141       0.09100171
Cr       1.40914000       2.44226000      11.07227000       3.36846930      -1.05770678       1.30289105
O        1.05064000       1.00072000      19.33003000       1.49993348      -1.09057450      -0.18054887
O        4.31350000       0.97761000      19.47523000       0.10216688      -0.53628911      -1.00321356
O        2.71405000       3.73298000      19.51459000       0.54707605      -1.02137226      -1.14824973
O        4.32526000       2.56695000       0.28407000       0.26385567      -0.06912597      -0.13851138
O        1.64528000       2.47297000       0.28006000      -0.54192563       0.90643405       0.37250024
O        3.04968000       0.31080000       0.59912000      -0.61806421      -1.61652049      -2.25377678
O        1.43303000       4.04784000      10.02022000       1.28186257       0.30514102      -1.61277806
O       -1.23351000       4.02285000       9.97115000      -0.56283917      -0.01283208      -0.10724404
O        0.00884000       1.78215000      10.05022000      -1.09344375      -0.77474912      -2.08836288
O        1.62131000       0.87804000      12.13146000      -0.00588441      -1.97281343       0.83925171
O        4.36632000       0.73920000      12.13215000       0.47237278       0.27121127       0.70123240
O        2.98185000       3.23268000      12.34017000      -0.19161163      -0.65068709      -1.65948047
O        4.30812000       2.63835000      21.61872000       0.64368900       1.92503275       0.85304034
O        1.17080000       2.70812000      21.59502000       0.31801104      -0.14981062       1.95132006
O        2.98439000       0.03572000      21.81954000      -2.90237356      -0.42236973       1.25493951
O        1.76907000       4.52485000       2.75316000      -1.52975603      -1.12446293      -1.04646704
O       -1.65147000       4.41764000       2.58970000       1.77424191      -0.30030459       1.17676581
O        0.05184000       1.74686000       2.75642000       0.11791305       0.78875689      -0.84031268
O        1.41080000       0.95104000       5.22211000       2.92095097      -1.06272262      -2.08538093
O        4.65075000       0.92479000       5.03978000      -0.22611688      -0.47355427       1.54769849
O        3.21909000       3.75161000       5.29046000      -2.69014636      -1.80252509      -3.01366228
O        4.33049000       2.33629000      14.53709000       0.63468357       0.58935602       1.37007070
O        1.69994000       2.26020000      14.60890000      -1.59445494       0.49081082      -0.77923688
O        2.90148000       0.05801000      14.68009000       0.33328506      -0.50784765       0.17803518
O        1.32194000       3.96693000      24.17788000      -0.01686519       0.82831560       0.11592352
O       -1.48362000       4.15362000      24.23857000       0.21509623      -0.41361169       0.87361751
O        0.06546000       1.81585000      24.19660000      -1.99017788      -1.21408216      -0.86124232
O        5.64734000       0.16800000      21.51496000       1.51289093       0.02402207       0.97386505
O        2.99576000       1.84755000       2.61620000       0.17564576      -1.03360155       0.14495945
O        0.03340000       3.15336000      12.10988000      -0.88396073       1.72746249       1.17539120
O        0.22883000       0.02701000       7.34301000      -2.21276569       0.90686670       1.25894600
O        2.98084000       1.68158000      16.74575000      -0.00664197       0.38983608       1.87861309
O       -0.04227000       3.23571000      26.34089000       0.25864898      -1.06456386       1.67519454
O       -2.91085000       5.06484000       0.57348000       0.28072941       1.39247751      -1.25226291
O        2.96097000       1.49648000      10.03497000      -0.08490077       0.73275472       1.16048091
O       -0.13846000       3.65421000      19.52499000      -1.34774149      -0.46700620      -0.91538509
O       -0.07799000       1.51552000      16.90061000       0.04169977       1.58015565       0.06602932
O        1.51998000       4.18348000      16.82167000      -0.89090534       0.12517979       0.67618888
O       -1.92824000       4.35158000      16.96589000       1.78140385      -0.56289392      -0.01885509
O        2.85704000       3.10462000      26.39503000       1.08593325       0.57392842       0.97996873
O        1.72013000       0.69054000      26.53073000      -0.59324348       0.79289124       0.08033037
O        4.45389000       0.65719000      26.41018000      -0.73202151       1.16646475       0.89175678
O        0.13621000       4.94794000       7.50642000       0.64390808       0.52248667      -0.11887007
O       -1.21118000       2.69980000       7.29647000      -0.52978383      -0.54445491       1.50651647
O        1.37899000       2.60172000       7.51223000       1.75402281       0.57182708      -0.84576903
Zn      -2.78520000       4.91637000      27.26954000      -0.64916352       0.10704751      -0.44532376
Zn       3.18167000       1.79400000       8.25427000      -0.15027579      -0.15807328      -2.36011885
Zn      -0.20739000       3.49688000      17.55123000      -0.12203052      -0.35127817      -0.06983539
Zn       2.83387000       5.00557000      23.40152000       0.12048207       0.63147261       0.77031505
Zn       3.02243000       1.88423000       4.54014000      -0.29016350      -0.17518014       0.50597496
Zn       0.15815000       3.33268000      14.11471000      -0.80603754      -0.34875995      -0.47762857
Zn      -2.75240000       4.94554000      13.25019000      -0.37785339       0.84762151       0.36685379
Zn       3.13695000       1.85227000      22.93720000      -1.13891831      -1.11048367      -0.39938049
Zn      -0.55812000       3.42982000       3.98507000       1.71816956      -0.01177617      -0.69770380
Zn      -2.74503000       5.01387000       9.63988000      -1.27746223       0.73826361      -1.14084213
Zn       2.74813000       1.85520000      18.77450000      -0.04631251       0.25220645       0.32071546
Zn       0.12119000       3.57610000      28.40263000      -0.85614830      -0.13472655       0.05671888
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.82589174 magmom=72.0034422 free_energy=-552.82589174 stress="-0.027154819933819872 0.003020025518524905 0.002404580699771 0.003020025518524905 -0.03996765180484651 0.008398460222994161 0.002404580699771 0.008398460222994161 -0.035371264318975644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44804000       0.82808000      15.88103000      -0.58783682      -0.33957134      -0.42430627
Cr       4.34720000       0.78095000      15.78974000       1.30642641       1.31769620      -0.80003943
Cr       2.94333000       3.33196000      15.74422000       0.31562427       1.21704541       0.37707524
Cr       4.34075000       2.42821000      25.25634000       0.32042620      -0.53205525       2.51711928
Cr       1.48734000       2.42138000      25.29684000      -0.15336232      -1.41278387       1.11087841
Cr       0.17670000       4.95641000      25.52943000      -2.12636349      -1.21572455      -1.38674127
Cr       1.52048000       4.41605000       6.23511000       0.80956135      -3.37731422       1.77679705
Cr      -1.25226000       4.31421000       6.29583000      -2.36439253      -0.49392699      -0.13332922
Cr       0.06097000       1.67389000       6.25490000       1.89886054       1.00040911       0.59500316
Cr       5.77208000       0.08274000      18.26040000       0.37428546      -0.66562962      -2.97477038
Cr       2.97220000       1.61670000      27.71858000       1.11379129       0.21519121       1.05499605
Cr       0.05740000       3.31366000       8.60109000       0.26907767      -0.51638017       3.33000539
Cr       0.01952000       0.14844000       3.89241000      -0.38927097      -2.58416959      -2.43055541
Cr       3.09670000       1.63696000      13.34876000      -3.80791886      -0.10542972       3.80867991
Cr      -0.14364000       3.41581000      23.00099000      -0.79421894       0.20084218       0.79412534
Cr      -0.13698000       1.89497000      20.49823000       0.32654550      -0.40348549       1.72164605
Cr       1.29448000       4.48175000      20.60130000      -0.88931560      -1.87240558       1.44926918
Cr      -1.74471000       4.41500000      20.53583000       3.88293000      -1.02366198       1.04255662
Cr       2.96492000       3.42398000       1.45204000       0.34341127       1.18881020       2.03503735
Cr       1.41443000       1.01357000       1.48797000       1.65812804      -1.62783626       0.66942384
Cr       4.43741000       0.95558000       1.53262000       0.56633797      -3.01816623      -1.04355459
Cr       0.04682000       5.03913000      11.12069000       0.41527405      -0.78701496      -0.30976494
Cr       4.39664000       2.57247000      11.24378000       1.13321736      -1.30091308      -1.79017640
Cr       1.39398000       2.42704000      11.22956000       0.32087487       0.52143965      -1.70127788
O        1.31831000       0.88152000      19.44005000      -1.46675741       0.46147816      -0.38468269
O        4.39518000       0.87367000      19.41793000       1.19712067       0.19759469      -0.05396147
O        2.78447000       3.64740000      19.44798000      -0.66070759       0.45514484       0.03594901
O        4.25592000       2.49065000       0.32937000       0.98543457       0.36293039      -0.55117253
O        1.66790000       2.57029000       0.25029000      -0.61179512      -0.73567637       0.65808620
O        2.93411000       0.11554000       0.44992000      -0.22722904       2.65373406       0.35263793
O        1.41143000       4.00034000       9.84825000      -0.31001024       0.46080544       1.27090042
O       -1.27251000       3.95736000       9.94536000       0.09299847       1.78948971      -0.37084989
O       -0.03681000       1.71619000      10.03523000       0.24147808       0.54961169      -0.49944209
O        1.51970000       0.75539000      12.28284000       1.25049245       0.45306721      -0.14372957
O        4.36809000       0.89664000      12.30113000       1.13209186      -1.51927216      -1.02274257
O        2.88101000       3.23479000      12.25535000       0.04915935       0.58356618       0.73888148
O       -1.59327000       2.85630000      21.63911000       0.39326037      -1.35398803       0.65932898
O        1.05827000       2.87218000      21.72283000       2.25144658      -1.50014069      -1.22685884
O       -0.05241000       5.04767000      22.01664000      -0.45935256       1.66101514      -1.74041284
O        1.60879000       4.35373000       2.71440000       0.66755393       0.59677919      -0.19891259
O       -1.49849000       4.33953000       2.64647000      -1.63783685       1.11391838      -0.16096236
O       -0.07177000       1.64936000       2.60327000       1.11124320       0.87033821       1.39754290
O        1.48253000       0.72445000       5.02866000      -0.20579925       0.70828320       1.72627759
O        4.59857000       0.86491000       5.23245000      -0.56925865       0.45217867      -1.65292132
O        3.03051000       3.57315000       5.05595000       0.17011254       1.73609425       1.35602202
O        4.34028000       2.44423000      14.62714000      -0.21169311      -0.15522213       0.46574419
O        1.61876000       2.38526000      14.71141000       0.69478741      -0.50314894      -0.53161103
O        2.88294000       0.07281000      14.74000000       0.07979488       0.32109796      -0.79950596
O        1.30018000       4.01203000      24.27274000       0.57165192       0.45609986      -1.01557787
O       -1.41612000       4.09770000      24.38109000      -0.16473603       1.14332944      -0.85243363
O       -0.15584000       1.70580000      24.17595000       1.19307715       0.05678140      -0.67045196
O       -0.06281000       0.17620000      21.56722000      -1.68036932       0.44847659       0.55562647
O        3.12563000       1.68948000       2.57102000      -2.74807123       1.45919613       0.30826491
O       -0.06141000       3.38377000      12.25416000       0.89942386       0.14170088      -1.06952111
O        0.11543000       0.01542000       7.37703000       0.16857246      -0.15101203      -1.07803534
O        2.97046000       1.67477000      16.85884000      -0.60873973       0.13476167       0.52514080
O        0.04111000       3.17841000      26.46759000      -0.20443193       0.37347945      -1.21491786
O        0.08857000       0.01463000       0.42895000      -0.70201532       0.60009960       1.70435185
O        3.04064000       1.65454000      10.21522000      -1.31078467      -0.18274074      -1.76137970
O       -0.10536000       3.46879000      19.47940000      -0.37763755       1.80907108       1.01386772
O       -0.13248000       1.55094000      16.99817000       0.76762671      -0.01793301      -0.49407512
O        1.48268000       4.29580000      16.69903000       0.73123016      -1.26749329       2.70800056
O       -1.63750000       4.26466000      16.92308000      -2.10527430       1.33822898       0.16496906
O        2.94152000       3.13578000      26.54910000      -0.00849500      -0.17448349      -1.85394530
O        1.74273000       0.76544000      26.49586000      -0.55309945       0.58594499      -0.51902003
O        4.42934000       0.72791000      26.50793000       0.08500875       1.20583010       0.37072636
O        0.16027000       4.98470000       7.57710000      -0.77418037      -0.11073431      -1.56581170
O       -1.27465000       2.52599000       7.32968000       0.80511307       1.92987678      -0.39428180
O        1.34886000       2.66764000       7.37270000       1.62461280      -0.47439469      -0.99586940
Zn      -2.71155000       4.93934000      27.23686000      -0.75535287       0.13261833      -1.55476527
Zn       3.17623000       1.74591000       8.10571000      -2.11432657      -0.17729656       1.55867270
Zn      -0.13929000       3.48963000      17.63273000       1.41839343      -0.86075499      -1.17892016
Zn       2.84479000       4.92008000      23.46093000       0.60691807       0.37428867       0.97003854
Zn       2.97563000       1.77992000       4.50702000       0.12836219      -0.18296932      -0.67856209
Zn       0.12729000       3.32041000      14.13759000      -0.81321387       0.63684407       0.30941159
Zn      -2.83886000       5.03830000      13.39533000      -0.45062886      -0.13675501       0.03538743
Zn       3.13603000       1.81384000      22.87120000      -0.89388125      -0.70340233       0.06521990
Zn      -0.45200000       3.43891000       3.96664000       1.63505054      -0.15879598      -1.01359043
Zn      -2.77532000       5.00415000       9.38437000      -1.02136268       0.11071854       0.22112022
Zn       2.90553000       1.83595000      18.88507000      -0.82756905       0.18729324      -1.06507644
Zn       0.06281000       3.59878000      28.35600000      -0.41949830      -2.57051816      -0.14626490
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.25123428 magmom=71.9965433 free_energy=-553.25123428 stress="-0.02884010116620471 0.0016454590559957323 0.005117973164472729 0.0016454590559957323 -0.04161913524034866 0.013123800233398089 0.005117973164472729 0.013123800233398089 -0.0360533358433088" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34908000       0.78880000      15.83973000       1.83694154       2.48987925      -0.88335965
Cr       4.37495000       0.85814000      15.74695000       0.42990260      -1.18737866       3.17519795
Cr       3.03565000       3.43436000      15.90666000      -3.28175028      -1.74917683      -0.63012448
Cr       4.38054000       2.44952000      25.31756000       1.13519078      -0.22055853      -0.57367087
Cr       1.48390000       2.40741000      25.33625000       0.31597426       0.98877694      -2.11228129
Cr       0.15195000       5.01438000      25.52264000      -0.88110059      -0.13216509      -1.66185652
Cr       1.48201000       4.35676000       6.28159000       0.76804624      -1.50682096      -1.83696968
Cr      -1.26623000       4.22123000       6.22313000      -3.16871911      -0.12196170      -1.28157707
Cr       0.02952000       1.65850000       6.32105000       1.84101908       0.31644744      -2.71105498
Cr       0.05927000       0.03735000      18.20052000      -1.65241810       0.42848712      -0.34800410
Cr       3.08446000       1.57746000      27.76224000      -2.01476431       4.56209028      -1.15601729
Cr       0.05039000       3.25377000       8.65173000       1.04624723       1.76757192       1.42029905
Cr       2.89521000       5.09419000       3.80339000       0.01780338       2.04258408       1.42169658
Cr       2.96528000       1.69320000      13.54176000       0.46273650      -0.09922696      -2.07791826
Cr      -0.09623000       3.41354000      23.02765000       0.10334290       0.64141308      -0.69213650
Cr      -0.10793000       1.83583000      20.59393000       1.27185078       1.32456338       0.77592655
Cr       1.31446000       4.50960000      20.61040000      -0.19807663      -2.15253014       1.43598829
Cr      -1.64889000       4.40893000      20.51152000       0.69157726      -0.35189508       3.51073828
Cr       2.95739000       3.53557000       1.48495000       0.11173365      -2.66186689      -0.19471819
Cr       1.41458000       0.93481000       1.45146000      -0.23585476       1.70647799       2.25107068
Cr       4.33812000       0.81026000       1.46991000       0.54983551       1.87158031       1.72549032
Cr       2.93973000       0.04271000      11.15979000       1.78215742      -0.52415079      -1.87846730
Cr      -1.42618000       2.60815000      11.24583000      -1.38177957      -0.75942839      -1.74293109
Cr       1.41788000       2.44179000      11.28193000      -0.22218261       1.26284879      -2.50722746
O        1.35345000       0.87539000      19.46005000      -0.50077389       0.91691005      -0.69865060
O        4.64317000       0.82360000      19.34205000      -1.55420474       1.29935534       0.34222059
O        2.77735000       3.64018000      19.42130000       0.40336245       0.44899951       0.49937902
O        4.34585000       2.48796000       0.31213000      -0.54114184       0.28117237       0.44363683
O        1.60631000       2.56806000       0.36136000       0.28120247       0.15880322      -1.06345905
O        2.79177000       0.22827000       0.32953000       1.09025236      -2.69385679       0.40701339
O        1.31026000       4.03412000       9.90029000       0.82974469       0.67058411       0.68661396
O       -1.26704000       4.15105000       9.92276000      -0.36494583      -0.06216590       0.01949448
O       -0.06342000       1.77738000       9.92098000       0.35682937      -0.39908506       0.69446547
O        1.66141000       0.75183000      12.40722000      -1.30215617       1.24691090       0.12359226
O        4.41790000       0.88713000      12.33601000      -0.38574997       0.65773517       0.38158725
O        2.85725000       3.22408000      12.28000000       1.05619920       0.71518895       1.33341989
O       -1.45928000       2.89127000      21.74589000      -0.90652229      -1.97984391      -0.23268577
O        1.23489000       2.80691000      21.71776000       0.22127393       0.02266218      -0.11186013
O        2.70389000       0.01042000      21.92556000       1.18308237      -0.02492981      -1.21585944
O        1.60059000       4.33373000       2.59579000      -1.33971752       0.03952725       0.43961530
O       -1.64834000       4.45082000       2.67762000       1.34321088      -1.22611885      -0.54751694
O       -0.04138000       1.60701000       2.62939000      -0.77934017       0.41889910       0.50425983
O        1.49621000       0.59088000       5.11183000      -1.29134181       1.81442341      -0.51226855
O        4.53636000       0.84489000       5.19245000       0.07923579       0.42529435      -0.54242457
O        2.84091000       3.65256000       5.03391000       1.12188361      -1.74748308       0.61519035
O        4.28405000       2.50851000      14.79908000       1.03413682       0.37483894      -1.01032897
O        1.64471000       2.40190000      14.71313000      -0.89673886       1.04084390       0.87402164
O        2.89451000       0.17706000      14.70570000       0.02009512      -1.65328500       0.78048006
O        1.29573000       4.09338000      24.24012000       0.40268765      -0.43793645       0.33633785
O       -1.33818000       4.15768000      24.39686000      -0.30152471       0.47492772      -0.68807500
O       -0.20605000       1.68475000      24.07628000       1.36942554       0.60216332       0.65761351
O       -0.10691000       0.20190000      21.62781000      -0.47827100      -0.90676207      -0.20602642
O        2.87183000       1.74558000       2.44559000       0.90912925       0.26700397       1.00369963
O       -0.00866000       3.58057000      12.19501000       0.27801318      -2.42108669       1.12049385
O       -2.93177000       5.10084000       7.23033000       0.98509696      -0.35790061       1.07594556
O        2.87649000       1.69824000      16.96295000       0.48851029      -0.19300709      -1.23894752
O        0.08195000       3.20316000      26.35129000      -0.74169535       0.91314752       0.85041067
O       -0.01810000       0.13558000       0.55037000      -0.39560235      -1.39552532      -3.10497166
O        2.92354000       1.77439000      10.15458000       0.41019155      -0.60684265      -0.63003667
O       -0.16402000       3.57112000      19.62816000       0.63249901      -0.14227666      -1.62762213
O       -0.05998000       1.59426000      16.94468000      -0.16544164      -0.33323630      -0.36407483
O        1.60138000       4.23924000      16.98478000       0.42190942       1.47095750      -0.68992259
O       -1.65166000       4.37981000      16.92438000       1.71010962      -0.80208995       1.43830848
O        3.01691000       3.15445000      26.38850000      -1.17912778       0.63882833       1.27880213
O        1.67445000       0.91906000      26.39839000       0.53812277      -1.74238953       1.82103531
O        4.42102000       0.96361000      26.59170000       0.74275283      -2.18218862      -0.82855212
O        0.04262000       4.91833000       7.37886000       0.23364263       0.69833377       1.76734569
O       -1.20892000       2.67421000       7.33337000      -1.46528009      -1.46596537       0.90469647
O        1.56697000       2.63485000       7.11581000      -1.08078438      -0.92256970       2.22447373
Zn      -2.68460000       4.96876000      27.13317000      -1.28784197       0.17070865       0.44038729
Zn       3.07847000       1.69559000       8.02083000      -0.46508812       0.16459133       0.68075992
Zn      -0.01888000       3.44402000      17.66169000       0.14885693      -0.14679483       0.19612416
Zn       2.88914000       4.86181000      23.56280000       0.90500513       0.78947743      -0.14746014
Zn       2.93321000       1.68477000       4.45322000      -0.16169120       0.89736081      -0.44077098
Zn       0.05714000       3.33795000      14.16677000      -0.09935497       0.69058952      -0.45223170
Zn       0.00789000       0.01613000      13.53970000      -0.15714273      -0.29752242      -1.34784270
Zn       3.08594000       1.74144000      22.82070000      -0.67017074       0.14707021       0.11807759
Zn      -0.26764000       3.43931000       3.90780000       0.69433579      -0.43458262      -1.26333815
Zn      -2.86175000       5.00396000       9.14489000      -0.73276613      -0.12656277       1.52014582
Zn       3.01712000       1.82055000      18.94703000      -0.44883516      -0.49575318      -0.41295706
Zn      -0.01523000       3.51211000      28.31326000       0.47474063      -1.19510818       0.37014272
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.70524482 magmom=72.0026028 free_energy=-554.70524482 stress="-0.032562949735185656 -0.0030933893340206703 -0.0043832837646160215 -0.0030933893340206703 -0.017752560236335212 -0.003790278494369602 -0.0043832837646160215 -0.003790278494369602 -0.02770651807279199" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34536000       0.85416000      15.81112000       2.79633677      -0.50556349      -0.39741491
Cr       4.43123000       0.86864000      15.88121000      -1.49151903      -0.13742701      -0.46222673
Cr       2.97046000       3.46097000      16.05008000       0.80370242      -1.54366057      -2.47896275
Cr       4.44981000       2.44972000      25.38207000       0.25467103       0.73423309      -1.75415866
Cr       1.50418000       2.42660000      25.29874000      -0.15735419       0.15225148      -0.22316269
Cr       0.07166000       5.07981000      25.46767000       0.91051504       0.17013444      -1.40000479
Cr       1.48010000       4.19290000       6.26201000      -0.69947079       1.22925345      -0.84635759
Cr      -1.43413000       4.13743000       6.11352000       0.30804819       0.31496338       1.43180037
Cr       0.08961000       1.67889000       6.25517000      -2.00753644       0.10508962      -0.38496734
Cr       0.16775000       0.02364000      18.14833000      -1.43641884       2.34285923       3.48092018
Cr       3.10129000       1.71725000      27.76591000      -2.29373640      -0.42317459      -0.74578206
Cr       0.08844000       3.30487000       8.79337000      -1.07083603       1.79187574      -2.02247204
Cr       2.82679000       5.03730000       3.79341000       0.51651733       1.78059343       1.43635805
Cr       2.86777000       1.73742000      13.63022000       2.50584699       0.25452845      -0.92803006
Cr      -0.05463000       3.44658000      23.00459000       0.60815508      -0.06879091      -1.12492836
Cr      -0.01140000       1.83687000      20.70131000      -0.37344507      -0.64440217      -2.16517547
Cr       1.32876000       4.40623000      20.67693000       1.33126858       0.58106504      -2.40735555
Cr      -1.55687000       4.39219000      20.60392000      -2.03609504       0.05879473      -0.05487780
Cr       2.94094000       3.49887000       1.49329000      -0.75533720      -0.33245659      -1.37945716
Cr       1.40650000       0.94662000       1.50248000      -1.69043533      -0.45317847      -0.72823849
Cr       4.27491000       0.78504000       1.43905000       1.19572980       1.46400309       0.85504456
Cr       2.97516000       0.09751000      11.12558000       0.05451952      -0.65778035       1.10956970
Cr      -1.43196000       2.59305000      11.15896000      -1.22213599       0.17833383       0.65078201
Cr       1.45256000       2.53330000      11.19783000       1.34867523       0.13112186       0.33169043
O        1.28481000       1.03621000      19.40542000       1.05390314      -0.87377598       0.76958431
O        4.66281000       0.96898000      19.36758000       0.29256725      -0.90286743       0.74743007
O        2.82950000       3.74121000      19.51483000       0.78262370      -1.13828288      -0.51901287
O        4.30564000       2.52299000       0.38171000      -0.19738384      -0.26099765       0.38465621
O        1.62602000       2.54157000       0.32925000       0.06821471      -0.37813350      -0.70643785
O        2.81924000       0.06031000       0.31334000       0.32914455       1.66920931       0.22837611
O        1.33248000       4.16165000      10.05479000       1.03864045       0.43370700      -1.26650357
O       -1.26856000       4.29271000       9.91684000      -0.41568868      -1.08719488      -0.08326702
O       -0.01470000       1.81493000       9.94536000       0.10483495      -0.82538562       0.40706675
O        1.65549000       0.98471000      12.41879000      -1.36245226      -1.00092356      -1.12683912
O        4.33581000       1.00052000      12.36072000      -0.18470652      -0.34726470      -0.05522661
O        2.99539000       3.27192000      12.47205000      -0.40190106       0.83930601      -1.23270516
O       -1.40456000       2.62275000      21.81721000      -0.31374100       1.32202888      -0.00924539
O        1.39349000       2.74883000      21.68759000      -0.58802587      -0.00562256       1.72834861
O        2.76268000       0.04105000      21.64802000       0.97090347      -0.09186584       2.40923594
O        1.48485000       4.36126000       2.55345000      -0.48379806      -1.00954021       0.75380920
O       -1.66510000       4.40934000       2.60113000       0.82288024      -0.37741355       0.53652452
O       -0.11495000       1.56903000       2.71621000      -0.00460053       0.27632404      -0.99438745
O        1.26293000       0.72472000       5.13682000       1.38710287      -0.40441085      -1.84730023
O        4.54408000       0.87760000       5.04114000      -0.20833259      -1.04759510       1.00212199
O        2.87794000       3.53119000       5.10182000       0.38221525      -0.88083104      -0.98142816
O        4.30007000       2.55130000      14.83652000      -0.58796159      -0.44973159       0.14865510
O        1.59912000       2.54088000      14.86874000      -0.58607053       0.60083613      -0.18421656
O        2.91825000       0.10207000      14.79834000       0.05680665       0.45050294       0.04135960
O        1.31842000       4.08517000      24.26603000       0.55944483       0.66772128      -0.33645492
O       -1.27676000       4.25499000      24.29588000      -0.56435558      -0.71986706       0.26029946
O        0.00675000       1.82806000      24.13368000      -0.13231790      -0.81927012       0.49517805
O        5.68613000       0.10014000      21.63324000       1.97862500       0.25248929       1.60738884
O        2.77614000       1.85043000       2.48049000       1.26619078      -1.19506867       0.49997462
O        0.07003000       3.38796000      12.18809000      -0.99553397       0.81340266       0.19681644
O       -2.88108000       5.02822000       7.15753000      -0.38608659       0.10713596       0.34316909
O        2.86921000       1.69885000      16.81983000       0.46022234      -0.16616276       1.79244742
O        0.01899000       3.35720000      26.29866000       0.17834190      -0.73288109       1.52576862
O        5.73250000       0.02097000       0.30060000       0.81876117       0.22174598       1.91963160
O        2.87407000       1.75760000      10.01277000       0.97318382       0.02865380       0.44122613
O       -0.10791000       3.64381000      19.58674000       0.24857379      -1.24027162       0.06375453
O       -0.01882000       1.58812000      16.84574000       0.25898366       0.81009505       1.79839687
O        1.72924000       4.41513000      17.11087000      -1.80535658      -0.63075370      -0.75240788
O       -1.42136000       4.34396000      17.04021000      -1.34868158       0.19392883      -0.90379026
O        2.92023000       3.20798000      26.37250000       1.02580937      -0.40123764       0.78333695
O        1.72710000       0.88185000      26.53416000       0.24578589       0.61970287      -0.19149656
O        4.50138000       0.87956000      26.51438000      -1.39914609       0.17817450      -0.16573436
O       -0.03919000       4.86719000       7.35530000       0.81729468      -0.11917572       0.05841432
O       -1.27713000       2.62637000       7.42548000       0.28177386      -0.62639854      -0.34508440
O        1.50450000       2.52164000       7.22947000      -1.29210568       0.95722693       1.17792371
Zn      -2.72893000       5.00249000      27.05691000      -0.81865986      -0.08893837       0.22578262
Zn       2.96637000       1.65365000       7.99432000       1.08519118      -0.69125344       0.86120031
Zn       0.10624000       3.39224000      17.68479000       0.47109444      -0.20296715      -0.04734993
Zn       2.96652000       4.85293000      23.64402000      -0.48315471       1.35801458      -1.06489265
Zn       2.88894000       1.64049000       4.38726000      -0.20320380       0.09510350       0.66809980
Zn      -0.01588000       3.38972000      14.17428000       0.03987732       0.13347771      -0.64575406
Zn       5.80646000       0.07928000      13.61854000       0.12456547      -0.37773049      -1.50205496
Zn       3.00517000       1.68241000      22.78710000      -0.41183015       0.26299190      -0.01012978
Zn      -0.06482000       3.41696000       3.80857000       0.00436038      -0.34041574      -0.79148218
Zn       2.92657000       4.99973000       9.01616000       0.21577797       0.13774909       2.64084221
Zn       3.08355000       1.78766000      18.97164000      -1.62036061       0.73252513      -0.58954128
Zn      -0.05748000       3.36910000      28.28696000       1.05209491      -0.25049102       0.04333038
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.98973119 magmom=72.0011403 free_energy=-553.98973119 stress="-0.03811383621333142 -0.004349315842919084 0.0019955248369581003 -0.004349315842919084 -0.020838896571421 -0.008406877821793765 0.0019955248369581003 -0.008406877821793765 -0.031725447488192435" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46163000       0.89321000      15.83983000      -0.13698596      -0.12665908       0.55090067
Cr       4.42965000       0.87486000      16.01258000      -0.24364756       1.30186702      -2.22366273
Cr       2.93846000       3.44550000      16.12047000       0.78919873      -0.02014607      -2.18824552
Cr      -1.38413000       2.47507000      25.38915000      -0.26593155       0.83222563      -1.27585075
Cr       1.54792000       2.47176000      25.26815000       0.79753436       0.95545854       1.69363252
Cr       2.98978000       0.04652000      25.36985000       0.21738572      -1.62222971      -0.77285913
Cr       1.44115000       4.09108000       6.19386000      -0.05554393       0.75601577       0.46277604
Cr      -1.56468000       4.07092000       6.09507000       2.91288988       0.34777373       1.65766876
Cr       0.04472000       1.70900000       6.16419000      -1.39223903      -0.80101800       1.09240029
Cr       0.19344000       0.09480000      18.20802000      -1.18215259       0.33947125       1.54012532
Cr       3.02050000       1.81135000      27.74958000       0.36478365      -3.20665343      -0.12127246
Cr       0.05624000       3.44929000       8.82051000      -0.92460839      -1.42902670      -1.19005325
Cr       2.78901000       5.09207000       3.84645000       1.04221501      -1.51399548      -2.56960184
Cr       2.90262000       1.79805000      13.60629000      -1.04049613       0.34530420      -0.91600356
Cr       0.01499000       3.47066000      22.94158000      -0.32270447      -0.19501750       2.15583246
Cr       0.05937000       1.80931000      20.69986000      -0.74463902      -0.09338155       0.48219699
Cr       1.44008000       4.32953000      20.63155000       1.45795935       0.90881676       0.10610583
Cr      -1.56742000       4.39301000      20.67681000       2.20510928      -1.09843467       0.25168686
Cr       2.88235000       3.42067000       1.42979000      -0.49890058       1.19299323       2.22822185
Cr       1.32073000       0.93747000       1.51796000       1.19008551      -2.03458916      -0.92771809
Cr       4.26034000       0.85511000       1.42000000       1.52718231      -1.49242847       1.92688427
Cr       3.00959000       0.10369000      11.13904000      -1.88622335      -1.08836280       0.71134633
Cr       4.40183000       2.58521000      11.11369000       1.29077023       0.76172747       0.58933605
Cr       1.54801000       2.63567000      11.13148000      -0.69524402      -0.33892445       0.70900163
O        1.35725000       1.01071000      19.49278000       1.00547741      -1.19472085       0.24430642
O        4.72051000       0.92698000      19.53560000      -1.00911042      -0.98662298      -0.84544174
O        2.98270000       3.67642000      19.51140000      -0.33648517      -0.23441978      -0.55298478
O        4.24869000       2.53328000       0.48390000       1.16283413       0.02877728      -1.89584256
O        1.63362000       2.45772000       0.19996000      -1.30527135       0.53924939       1.34508131
O        2.90578000       0.13706000       0.34186000      -1.16351331       0.05157765      -0.88881045
O        1.45888000       4.31670000      10.02316000      -1.47239284      -0.88017052      -0.02605899
O       -1.28696000       4.20592000       9.93201000      -0.64214877       0.63316634       0.26864226
O        0.05426000       1.81377000      10.05165000      -0.18778010       0.58811033      -1.05186263
O        1.51193000       1.09422000      12.25505000       1.10767780      -1.20088060       1.10909998
O        4.17377000       1.07500000      12.35618000       1.27563268      -1.22233281       0.64458940
O        3.04294000       3.38278000      12.44227000      -0.93403937       0.21984569      -0.41682245
O       -1.34727000       2.62149000      21.82742000      -0.69165650       0.80434221      -0.40116295
O        1.36475000       2.74536000      21.87594000       1.24470011      -0.75604146      -1.34209960
O        0.02013000       5.05450000      21.73930000      -0.78458872       0.23944030       0.36351765
O        1.38569000       4.29099000       2.62203000       1.37373913       0.27974144      -0.49609328
O       -1.60872000       4.32060000       2.56870000      -1.14167343       0.54966871       0.59964743
O       -0.17700000       1.51456000       2.62787000       0.28929438       0.82365455       0.46893550
O        1.22290000       0.79944000       4.88793000       0.59000241      -1.00961634       1.64011989
O        4.54016000       0.69956000       5.11633000      -1.31467576       0.28216205       0.42297747
O        2.96899000       3.33486000       5.04628000      -1.23884215       1.47331304       0.01454468
O        4.19577000       2.49089000      14.88528000       0.92036274       0.69360960       0.00066993
O        1.50979000       2.70904000      15.00809000       0.46684742      -1.12589799      -1.03149305
O        2.96001000       0.14931000      14.89708000       0.05607571       0.29239155      -1.34962455
O        1.37773000       4.15181000      24.25329000      -0.13131688       0.26889621      -0.22796458
O       -1.25260000       4.18272000      24.25278000      -0.61311639      -0.24011178       0.40070452
O        0.13158000       1.87305000      24.25245000      -1.58405213      -1.36022246      -1.31515605
O       -0.00838000       0.03438000      21.77693000      -0.21709153       0.57991524      -1.12319825
O        2.90291000       1.74113000       2.48483000      -1.06769986      -0.06156627      -0.40231621
O       -0.01155000       3.31306000      12.16247000       0.40140781       1.81455671       0.47048945
O        3.00198000       4.98103000       7.12020000      -0.56461303       0.38875593       0.43504578
O        2.94520000       1.69125000      16.93392000      -0.45848679       0.25020335       1.74053278
O       -0.02495000       3.40933000      26.41255000       0.71225170      -0.22587466      -0.91575392
O        2.80089000       5.05313000       0.40026000       0.62858500       1.20129200      -0.45242827
O        3.00170000       1.72090000      10.02937000      -0.43000068       0.32640974      -0.28265083
O        0.00147000       3.49072000      19.61794000      -0.39121585       0.17117242       0.29213833
O        0.04344000       1.65177000      16.99003000       0.08116435      -1.54657922       0.05768252
O        1.57965000       4.48895000      17.09594000       1.84582026      -0.90307202       1.29431136
O       -1.39004000       4.32885000      16.97686000      -1.62165591       0.62613706       0.57684180
O        2.96731000       3.19234000      26.46100000       0.79872528       0.80925238      -1.06122130
O        1.78793000       0.91754000      26.57789000      -1.78907988       0.10415447      -1.23743521
O        4.37612000       0.81555000      26.36182000       0.91247716       1.14049473       1.53231403
O        0.03026000       4.79277000       7.34749000      -0.82207374       1.13935093      -0.47953761
O       -1.28334000       2.47287000       7.43911000      -0.69694040       0.92280493      -0.67809048
O        1.18991000       2.58477000       7.52103000       2.60010750      -0.81032729      -1.47094359
Zn      -2.81581000       5.03529000      27.00490000      -0.23075173       0.43728062       0.83629283
Zn       2.90634000       1.58573000       8.00739000       0.14760134       0.06090302       0.22309028
Zn       0.24005000       3.34039000      17.70670000      -1.17197620       0.85063688       0.36357080
Zn       3.02004000       4.91609000      23.67375000      -0.34355852       1.11876194       0.05457582
Zn       2.84237000       1.59956000       4.35891000       1.09108421      -0.85410092       0.12245223
Zn      -0.08755000       3.44576000      14.14653000      -0.29558448      -0.19487140      -0.50362102
Zn       5.71894000       0.11972000      13.62298000       0.54975613      -0.24014723      -1.41219310
Zn       2.91009000       1.64490000      22.77064000       0.38300899       0.58781236       0.40007084
Zn       0.11853000       3.37670000       3.68645000      -1.50060972      -0.43642072      -0.05867492
Zn       2.83599000       5.00789000       9.02569000       1.88273617       1.19998395       1.01323598
Zn       3.07410000       1.78702000      18.96536000       0.09198794      -0.10158867      -0.14723692
Zn      -0.04578000       3.22955000      28.27745000       0.12684639       1.40697443       1.15838947
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.31652913 magmom=72.0008666 free_energy=-553.31652913 stress="-0.04150539808575891 -0.00036849688251299194 0.004990138138458099 -0.00036849688251299194 -0.05676738523658278 0.014905623337628971 0.004990138138458099 0.014905623337628971 -0.046662104951119755" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.56618000       0.90347000      15.96449000      -0.95004720       0.84808299      -1.18733439
Cr       4.42557000       0.93215000      16.05976000       0.41835762      -0.13191796      -1.10007328
Cr       2.94907000       3.46582000      16.11645000      -0.66813041      -0.47217042      -1.99534715
Cr      -1.33752000       2.52881000      25.35763000      -0.40398003      -1.07887396      -0.38868583
Cr       1.62948000       2.57259000      25.33381000      -1.42568551       0.65551744      -1.59052654
Cr       2.98297000       0.05989000      25.24681000      -0.21604399      -0.04213284       1.16185319
Cr       1.38169000       4.02962000       6.15943000       0.54650009       0.21160711       1.11500124
Cr      -1.54309000       4.02408000       6.18642000      -0.32718317       2.56219336      -1.33587212
Cr      -0.10795000       1.69017000       6.14421000       1.15477200      -2.28699341       0.49642293
Cr       0.15778000       0.14469000      18.33566000       0.53008803      -2.13803204       1.49216162
Cr       2.94911000       1.73531000      27.73967000      -0.11306487      -0.04375557      -1.88954962
Cr      -0.04253000       3.52438000       8.74512000       0.01950277      -2.19377566      -1.02332933
Cr       2.81230000       5.08817000       3.77424000       0.17863447      -0.50522415       2.28885309
Cr       2.90167000       1.89058000      13.51440000      -0.85674824      -0.26620016       0.87912631
Cr       0.07847000       3.45848000      22.99426000      -0.26485353      -2.00992357       0.32614671
Cr       0.08363000       1.75200000      20.70354000       0.13742168      -0.21838280       1.27829522
Cr       1.64729000       4.28657000      20.58107000      -1.55669496      -1.59976218       3.36767070
Cr      -1.46190000       4.32316000      20.72023000       3.32377533      -0.73475966      -0.57972959
Cr       2.81274000       3.38497000       1.43099000       1.38225796       0.07423382       0.49724731
Cr       1.30341000       0.80633000       1.47718000       2.28278549       0.45560607       0.27834660
Cr       4.31212000       0.86712000       1.44026000       0.13246712      -0.66503321      -0.27273884
Cr       2.93262000       0.05975000      11.20306000      -0.67155096       1.25625745      -1.04220587
Cr      -1.48596000       2.62127000      11.12120000       1.28661557      -0.24691808       0.90751400
Cr       1.59812000       2.70256000      11.11477000      -2.30974515      -0.93989880      -0.38226590
O        1.56484000       0.76358000      19.63872000      -1.10236075       1.50716328      -1.19227762
O        4.67735000       0.72150000      19.58687000      -0.31195226       2.35352269      -1.04473832
O        3.09638000       3.59433000      19.44089000      -0.14196184       0.81037105       0.60241663
O        4.32013000       2.53944000       0.35530000      -2.33134678      -0.81454295       0.36127414
O        1.49494000       2.39830000       0.30300000       1.46534261       0.37218513       0.16466325
O        2.81114000       0.26044000       0.26866000       0.54983939      -2.31351045       0.27786943
O        1.26362000       4.29277000       9.96037000       0.99815385       0.40786895      -0.37445401
O       -1.38541000       4.17752000       9.99186000      -0.65453488       1.46767787      -0.77965573
O        0.07934000       1.99001000       9.99480000      -0.64543924      -1.01470057      -0.35098607
O        1.61178000       1.04644000      12.22548000      -0.52753136       0.53989862       1.11741423
O        4.18579000       0.96510000      12.41518000       1.43211420       0.65027886      -0.41041089
O        2.91272000       3.46324000      12.28463000       0.83741247      -0.02877835       0.71604005
O       -1.32764000       2.81109000      21.76394000      -0.13224295      -2.87599835       1.25131011
O        1.45628000       2.65142000      21.84361000       0.09642821       0.28096625      -0.70934633
O        0.13707000       4.96330000      21.90741000      -0.04029773       1.46870681      -1.63011964
O        1.57739000       4.29739000       2.57899000      -2.38089308      -0.19859345      -0.52973535
O       -1.81858000       4.34471000       2.62577000       1.77000515      -1.14725449      -0.63822469
O       -0.15198000       1.53762000       2.59873000       0.15427193       1.11383637       0.60081945
O        1.25746000       0.61968000       4.92937000      -0.12432400       0.55921915       1.56589925
O        4.36496000       0.54858000       5.22815000       0.36787154       2.12178357      -2.27103519
O        2.87076000       3.43959000       5.01298000       0.04574035      -0.92235909      -0.30530880
O        4.18851000       2.52725000      14.92740000       1.34767325       0.80211713      -0.57187111
O        1.56832000       2.63181000      14.94587000      -0.57865105       0.03163349      -0.64032307
O        3.00545000       0.34681000      14.77163000      -0.22470346      -1.53253740       0.42367824
O        1.38117000       4.23776000      24.21947000       0.86132865      -0.37382777       0.25297524
O       -1.28834000       4.05488000      24.27889000      -0.19488974       1.88715239      -1.12820654
O        0.01654000       1.75739000      24.20206000       1.10637497       1.28956655       0.18548038
O        0.20339000       0.09102000      21.71282000      -2.08431747      -0.17743085       0.84310146
O        2.83167000       1.60462000       2.36803000      -0.12369685       1.20009498       1.92918429
O       -0.04471000       3.56956000      12.15829000       0.43547658      -1.84003255       1.07778675
O        2.88862000       4.99707000       7.12541000       0.15594457       0.00073525       1.02048200
O        2.97273000       1.73389000      17.18707000      -0.12131475       0.06648224      -3.37460990
O        0.07644000       3.41229000      26.32699000       0.67194772       0.32176278       0.74112873
O        5.85039000       0.03679000       0.52800000      -1.88603812      -1.22979364      -3.19583587
O        3.05836000       1.73243000      10.08948000      -0.95672845       0.09365534      -0.94683773
O        0.08362000       3.36956000      19.74606000       0.33307805       1.30580804      -2.30873875
O        0.10667000       1.53595000      17.12503000      -0.63195391       2.03159938      -1.09289894
O        1.71331000       4.45193000      17.21616000      -0.75757440       0.33980289      -0.50088238
O       -1.63723000       4.44525000      16.97422000       2.59226203      -0.90886762       1.59741321
O        3.13998000       3.27097000      26.39499000      -1.27590305       0.19004449       1.01001355
O        1.58355000       0.99618000      26.34949000       0.86987203      -0.85329202       1.16568344
O        4.30708000       0.95410000      26.43087000      -0.01025897      -0.67978617       0.83183504
O       -0.02711000       4.84741000       7.25471000      -0.82183132       0.02622526       0.56020386
O       -1.37496000       2.51851000       7.29201000      -0.65827344      -0.25887147       1.62053812
O        1.25282000       2.56060000       7.53481000       0.10498858      -0.36610953      -1.32346442
Zn      -2.92657000       5.09429000      26.98713000      -0.07248922       0.34295669       0.74415790
Zn       2.85655000       1.51193000       8.03450000       0.22169652       0.78217059       0.27834104
Zn       0.32774000       3.31645000      17.75512000      -1.41254982       0.54694255       0.76656649
Zn      -2.84419000       5.05070000      23.69739000      -0.08147455      -0.18968481      -0.67255542
Zn       2.85054000       1.51773000       4.34573000       0.39936020       0.36661119       0.19834855
Zn      -0.17784000       3.49770000      14.09287000       0.64419993       0.15818868       0.57322274
Zn       5.65493000       0.15087000      13.55970000       0.57841754      -0.29436221      -0.65625787
Zn       2.82476000       1.63528000      22.78490000       0.93814148       0.20300991       0.43445573
Zn       0.23766000       3.30692000       3.55958000      -1.45547522      -0.33259114       0.58400367
Zn       2.83386000       5.08084000       9.10637000       0.73019689       0.69646168       0.72981196
Zn       3.05698000       1.78325000      18.97174000       0.52622773      -0.92771088       2.48171893
Zn      -0.02081000       3.15900000      28.30894000      -0.12280783       2.45439189      -1.36004368
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.46653204 magmom=72.0428387 free_energy=-551.46957921 stress="-0.0342094388773645 0.002371164633586445 0.0010836602952882135 0.002371164633586445 -0.047561850048685975 0.009642602569176123 0.0010836602952882135 0.009642602569176123 -0.04404016652968502" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59550000       0.93129000      16.06700000      -1.61844938      -1.12779197      -2.42471906
Cr       4.46799000       0.98616000      16.04370000       0.71099000      -0.60116323      -1.92969576
Cr       2.94656000       3.50934000      16.01064000       0.95407756       1.39373431      -0.88993665
Cr      -1.33143000       2.54794000      25.32760000      -1.19042921       0.67905693       1.00261916
Cr       1.67295000       2.70138000      25.37205000      -0.26295080      -1.66860056      -2.00384007
Cr       2.96413000       0.07523000      25.19613000       0.44637254       0.65458807       1.38792149
Cr       1.33974000       4.00606000       6.17571000       0.03704843       2.10815145      -0.89902712
Cr      -1.53492000       4.10384000       6.22930000      -3.08443715      -1.34707773      -1.05417263
Cr      -0.23679000       1.53871000       6.18422000       1.22891927       0.78005138       1.13286356
Cr       0.13618000       0.09669000      18.56208000       0.96600535      -0.04429562      -6.03944481
Cr       2.86333000       1.62895000      27.66828000      -1.82045260       0.48206997       0.53665801
Cr      -0.15913000       3.47298000       8.60512000      -0.04626845      -0.86781202       0.80349505
Cr       2.85625000       5.04013000       3.79827000      -0.49750383       0.11874834       0.85359821
Cr       2.86426000       1.97224000      13.46902000       2.61168351      -1.13879212       2.15257820
Cr       0.13096000       3.35614000      23.06183000       0.32988337       1.84330955      -3.48711095
Cr       0.11243000       1.67707000      20.72700000      -0.12015890       1.00086597      -0.85762620
Cr       1.79598000       4.19614000      20.66920000      -3.18412585       1.17940681       0.52397344
Cr      -1.16400000       4.20670000      20.72046000      -1.58985504       1.10524049      -0.04656953
Cr       2.81735000       3.33654000       1.44037000       0.26961596       0.68857281      -0.12108082
Cr       1.40217000       0.65384000       1.41716000      -1.13206506       1.20491277       0.34031538
Cr       4.36768000       0.85121000       1.42061000      -1.04709789       0.25110713      -0.40642553
Cr       2.80142000       0.08296000      11.22186000       1.75602610       1.26037945      -1.63201870
Cr      -1.39626000       2.66068000      11.16855000      -2.02487350      -0.45660624      -0.50623638
Cr       1.51096000       2.71592000      11.07894000      -0.92574107      -0.19045454      -0.32840489
O        1.60034000       0.72625000      19.63344000      -0.98279434       0.73255528       0.62644430
O        4.55889000       0.81527000      19.53839000       2.18807753      -0.59102229       1.82540018
O        3.20990000       3.60643000      19.53443000       0.27305789      -1.17329381       0.78551699
O        4.08004000       2.41451000       0.25092000       1.97091450       0.50332570       0.48076098
O        1.53042000       2.37414000       0.45114000      -1.01026045      -0.58905144      -2.37205391
O       -0.19427000       5.09476000       0.20357000       0.96539428       0.73473923       0.13723581
O        1.09630000       4.27305000       9.86977000       1.31694013       0.73869332      -0.04816965
O       -1.53576000       4.34730000       9.97623000       1.68314074      -0.97563674       0.09414322
O       -0.03432000       2.04390000       9.87469000       0.12343003      -1.45756812       0.65226636
O        1.68812000       1.10383000      12.36428000      -2.45974617      -0.19122936      -1.01857702
O        4.36881000       1.00588000      12.33430000      -1.19976798       1.08261555      -1.05605023
O        2.89559000       3.45529000      12.20157000       0.90081882       0.43281525       0.41177340
O       -1.25290000       2.59443000      21.86784000       0.44173981      -0.06621319      -0.04464082
O        1.55477000       2.59168000      21.65187000      -0.15224773      -0.56298197       2.28996385
O        0.22942000       4.98480000      21.81820000       0.09401587      -0.47820523       0.75202230
O        1.50008000       4.35346000       2.42568000      -0.28217843      -0.35645383       1.40029267
O       -1.80149000       4.23357000       2.55921000       1.41788042      -0.15207411       0.22123643
O       -0.09650000       1.60572000       2.63209000      -0.11878950      -2.14869468      -1.31189340
O        1.19178000       0.52261000       5.25229000       0.30942468       2.57570552      -3.21268822
O        4.33637000       0.66625000       5.02986000       1.86062194      -1.28929173       0.69237891
O        2.75102000       3.47915000       4.96746000       0.75423774      -1.30248333       0.01032788
O        4.35225000       2.67475000      14.91057000      -1.66730674      -1.30484367       0.18085009
O        1.58242000       2.51429000      14.75449000      -0.78787323       1.38790553       1.30009326
O        3.00930000       0.36024000      14.71191000       0.09550018      -0.63879027       0.97191361
O        1.46415000       4.25226000      24.23466000       0.44740571       0.63987503      -0.34935834
O       -1.28504000       4.16909000      24.16036000       0.52618918      -0.37085069       0.25295086
O        0.06456000       1.90678000      24.20330000       0.92358210      -1.19790143       0.99696748
O        0.13120000       0.05704000      21.68784000       1.29461461      -1.01522670       1.32153873
O        2.71917000       1.66227000       2.49648000       1.06550162      -0.63577011      -0.95250275
O        0.01997000       3.57290000      12.23710000      -0.04338033      -0.93958010      -1.41110341
O        2.77882000       5.01569000       7.27757000      -0.13390690      -0.57753810      -0.24998189
O        2.98442000       1.82450000      16.92370000       0.40212104       0.22779783       2.84659236
O        0.25390000       3.46989000      26.27472000      -2.16098565       0.40421398       1.55102509
O        2.77027000       5.10572000       0.22836000       0.57048155      -0.32072158       2.80601477
O        2.93396000       1.79398000      10.06102000       0.15944327      -0.20370649       0.03624859
O        0.24485000       3.43200000      19.63058000       0.02464947      -0.74403473       2.24984087
O        0.06432000       1.63782000      17.08595000       0.42181465      -0.54119467       0.97279469
O        1.79714000       4.48293000      17.22842000      -1.26073952      -0.07454267      -0.25938206
O       -1.49711000       4.41699000      17.21476000       0.08324378      -0.05866792      -0.36920393
O        3.12532000       3.37417000      26.39673000      -0.11724248      -1.03292278       0.57028857
O        1.50287000       0.95620000      26.21684000       1.10571943      -0.01195644       1.05571587
O        4.24831000       1.02892000      26.59437000       0.20806613      -0.48276511      -2.86906397
O       -0.21401000       4.86331000       7.24110000       2.03693037       0.16555564       0.92754687
O        4.36150000       2.54257000       7.34080000       0.87306153      -0.72199432       0.50137695
O        1.33265000       2.46955000       7.21357000      -1.87197080      -0.56047290       1.33939390
Zn       5.79877000       0.06936000      27.01024000       1.10935445      -0.24802374      -0.65728097
Zn       2.81419000       1.46997000       8.08451000       0.20925420       1.17200118       0.45897989
Zn       0.34276000       3.32965000      17.83620000      -1.01941559       1.24655079      -2.23946541
Zn       0.14058000       0.09136000      23.69081000      -0.55844520      -0.45815212      -1.00455033
Zn       2.87587000       1.44524000       4.34243000      -1.90892934       1.26869121       0.88376911
Zn      -0.24062000       3.56982000      14.06645000       2.00825781       0.98601439       0.94819264
Zn       5.62393000       0.16533000      13.46614000       1.03782561      -0.56729456       0.54017867
Zn       2.78106000       1.63774000      22.83541000       1.46994261      -0.17075011      -0.11929249
Zn       0.28742000       3.21440000       3.46669000      -0.97095426       1.09222032       1.50286751
Zn       5.83041000       0.10332000       9.23343000      -1.28360013       0.29543347       0.28106461
Zn       3.06386000       1.73841000      19.07030000      -0.47949113       0.76748196      -1.37133498
Zn      -0.00653000       3.20567000      28.29671000      -0.66884118       0.45010849      -0.06708791
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.23475897 magmom=66.0026681 free_energy=-550.23476003 stress="-0.0448251970024003 -0.004842747902616257 -0.000779010468506769 -0.004842747902616257 -0.041344010778864564 -0.015232186641079717 -0.000779010468506769 -0.015232186641079717 -0.040185504384561296" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54224000       0.91348000      16.06293000       0.97078760       0.68583463      -0.34675648
Cr       4.55006000       1.00657000      15.94473000      -1.13545884      -0.36668089       0.73932143
Cr       2.98515000       3.62396000      15.87734000      -0.58493081      -0.59915360       1.86760817
Cr      -1.39498000       2.60189000      25.35680000       1.09560901       2.22604037      -1.22172781
Cr       1.69414000       2.73337000      25.35773000      -1.72141693      -0.36099598      -0.82577905
Cr       2.96731000       0.13337000      25.24734000       0.82188326      -2.09412978      -2.10533416
Cr       1.30257000       4.07274000       6.14833000      -0.68453361      -0.67561113      -0.69695832
Cr      -1.67437000       4.16592000       6.20475000       0.31032156      -1.21860408       0.04990501
Cr      -0.29025000       1.42700000       6.29675000       0.41535018       2.16267063      -0.85570580
Cr       0.15091000       0.03330000      18.61089000       0.56673452      -1.48198339      -5.57548547
Cr       2.70574000       1.55681000      27.60001000       3.38166416       1.07878926       2.04920466
Cr      -0.25963000       3.35628000       8.53345000       2.18937953       0.62061304       2.33924327
Cr       2.88816000       4.98466000       3.86004000       0.93610413      -1.25437357      -4.11580962
Cr       2.92349000       1.97251000      13.53081000      -0.70417064      -1.51449472      -0.84073121
Cr       0.20548000       3.33510000      22.95910000       0.67653372       0.96234081       2.11208599
Cr       0.15696000       1.59817000      20.67923000       1.77867165       2.04103408       4.97057709
Cr       1.81581000       4.18877000      20.76316000       0.28946277      -0.41905218       1.80552557
Cr      -0.97599000       4.16991000      20.70310000      -4.80897725       0.71735324       1.80808615
Cr       2.84424000       3.30610000       1.42304000      -0.68095319      -0.00744764       0.02330604
Cr       1.46821000       0.57469000       1.36001000      -1.70103812       1.04845709       1.22111155
Cr       4.35033000       0.83411000       1.35491000      -0.93279029      -1.11018594       1.13762193
Cr       2.76542000       0.19660000      11.13980000       1.72694516      -0.71626810      -0.32026774
Cr      -1.42192000       2.68924000      11.16633000      -2.48809692       1.63073260      -2.64117084
Cr       1.37809000       2.71687000      11.01468000       1.62393851       0.25768846       0.08819865
O        1.50149000       0.82982000      19.66893000       1.99754848      -1.61412458      -0.74210151
O        4.71644000       0.84072000      19.73205000      -1.91557639      -1.71329849      -1.71359663
O        3.36315000       3.47339000      19.74227000      -0.76135771       0.93879718      -1.15158488
O        4.10086000       2.36169000       0.23406000       0.72641525       0.57183647      -0.79857431
O        1.47549000       2.26373000       0.24756000      -0.28354238       0.11271888       0.43914787
O       -0.08810000       5.03334000       0.23799000       0.36982651       1.87410285      -0.62235053
O        1.15942000       4.34056000       9.79372000       0.03467624      -0.36159754       0.47998874
O       -1.37126000       4.34987000       9.96103000      -1.20626615      -0.39145444      -0.83361656
O       -0.14519000       1.94181000       9.89868000       0.85359607       1.57015023       0.43471508
O        1.47308000       1.18930000      12.35890000       0.67854166      -0.75653910      -0.17470592
O        4.30006000       1.18443000      12.12083000      -0.69150315      -3.29979278       3.15672422
O        3.01168000       3.43772000      12.22047000      -1.15527391       0.83579549       0.81740961
O       -1.04407000       2.33478000      21.97714000      -1.69141925       1.14951715      -1.04044565
O        1.55226000       2.52243000      21.80161000       0.78682087      -0.36943738      -0.03030257
O        0.32360000       4.88620000      21.81790000       0.32040220       1.68430753       0.50440493
O        1.39254000       4.35979000       2.50982000       1.80063298      -1.00007786       0.55776405
O       -1.55609000       4.10455000       2.47997000      -0.99936012       0.00238429       0.91327256
O       -0.04461000       1.30542000       2.47713000       0.83230927       1.52256587       1.23606375
O        1.16207000       0.74952000       5.11171000       0.44132630      -1.35286979       0.19662680
O        4.56336000       0.61820000       4.94703000      -3.47109749       0.10597997       1.08958130
O        2.75649000       3.33874000       4.98540000       0.68336534       0.52569844       0.88420968
O        4.26062000       2.60434000      14.87598000       1.16526110       0.73546567      -1.55083399
O        1.54590000       2.61624000      14.77078000       0.14723899       0.42967859       0.84281641
O        3.00774000       0.29525000      14.84928000      -0.06815534       0.49202897      -0.46415178
O        1.56966000       4.31540000      24.23009000      -0.59707756       0.13691381       0.09391854
O       -1.13045000       4.23254000      24.08366000      -1.33940791      -0.39960191       0.45578753
O        0.24403000       1.98943000      24.37859000      -1.23587440      -1.06314297      -1.07174966
O       -2.70505000       4.97320000      21.79190000       1.36756029       0.74747353      -1.09045954
O        2.80649000       1.63168000       2.42846000       0.22388861      -0.64039649       0.23451387
O        0.03955000       3.40543000      12.10056000      -0.98099940       2.66568921       2.03995910
O        2.66613000       4.93514000       7.34281000       0.84454187      -0.51553749      -0.04379799
O        3.03104000       1.92268000      16.95053000      -0.24342228      -0.56192523       0.87788621
O        0.13131000       3.56157000      26.38191000      -0.22391188      -0.42887258      -0.97807021
O        2.71764000       4.97623000       0.37615000       1.62447251       0.02812711      -1.48881188
O        2.80343000       1.82889000      10.07349000       0.60731413       0.00234827      -0.72888974
O        0.41328000       3.36700000      19.79036000      -0.32317434      -0.98202603      -2.61920907
O        0.07671000       1.61344000      17.14017000       0.30563643      -0.30305256       0.73175876
O        1.70669000       4.52552000      17.11112000       0.72038634      -0.22135102       0.34569022
O       -1.36663000       4.39094000      17.33046000      -1.36526469       0.79617037      -1.34071255
O        3.06812000       3.29579000      26.49431000       0.16477690       0.52348911       0.59192007
O        1.58317000       0.90030000      26.26876000      -1.99010571       0.32012465       0.20314996
O        4.18973000       1.03523000      26.31348000       1.15335473      -0.46947334       1.95592712
O       -0.14224000       4.80506000       7.30924000      -0.65425085       1.01339707      -0.87843131
O        4.36950000       2.44624000       7.46256000      -1.22629635       0.25313478      -1.24640725
O        1.04318000       2.40181000       7.10511000       1.62884744       1.01323408       3.08393460
Zn       5.72445000       0.14314000      27.01446000       0.86213568      -0.93254850       0.46473772
Zn       2.78149000       1.48718000       8.15694000      -0.38210801       0.44507309      -0.37945304
Zn       0.30039000       3.40653000      17.83656000      -0.67946143       0.40918910      -0.64059173
Zn       0.15339000       0.21525000      23.64011000       0.22368061      -0.52520228       0.40921315
Zn       2.82662000       1.42720000       4.38197000       0.39836156       0.37528163      -0.28096578
Zn      -0.20973000       3.68034000      14.08660000       1.05881081      -0.86744891      -0.23391783
Zn       5.64510000       0.15499000      13.39667000       0.82986163       0.14851270      -0.77356041
Zn       2.81753000       1.63091000      22.90173000       1.71804081      -0.20799924       0.40130516
Zn       0.27504000       3.15866000       3.44394000      -1.78858250      -0.33617082       0.23890135
Zn      -0.07841000       0.23296000       9.37471000      -0.41373075      -3.03899838      -0.58486682
Zn       3.06074000       1.71521000      19.12200000       0.66220122       0.07573275      -1.30813257
Zn      -0.02961000       3.26767000      28.26573000      -0.88563202      -0.76455232       0.46289434
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.1521572 magmom=71.9938614 free_energy=-551.15215723 stress="-0.039494130221676 -0.0008868213413890306 -0.0007567233189276107 -0.0008868213413890306 -0.039197292692139125 -0.00437409427838282 -0.0007567233189276107 -0.00437409427838282 -0.04157470833442835" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53153000       0.93634000      16.05126000       0.95595645       2.84076913       0.22707672
Cr       4.57275000       1.01032000      15.89298000      -0.66191424       1.00423304       1.63969344
Cr       3.00236000       3.69914000      15.85677000       0.80096466      -2.03443877       0.80072547
Cr      -1.42619000       2.75888000      25.35319000      -0.41339371      -1.90549299      -0.62898543
Cr       1.64375000       2.70263000      25.36908000      -1.25802918      -0.33159727       0.06427981
Cr       2.99701000       0.11848000      25.25016000      -0.45033683      -0.04119511      -0.74655913
Cr       1.21887000       4.09202000       6.08866000      -0.22240352      -2.13237449       1.27359744
Cr      -1.79247000       4.14369000       6.19672000       3.53894878      -0.10812638       1.07690636
Cr      -0.29850000       1.45725000       6.37237000       0.74098436       0.48474190      -2.12623130
Cr      -2.76393000       5.03449000      18.47724000      -0.61581865       0.61850475      -0.80238222
Cr       2.71022000       1.55491000      27.59011000       3.13333134       2.10917843      -0.39606123
Cr      -0.24614000       3.29425000       8.59011000       0.03726618       3.40716256      -0.70547683
Cr       2.94878000       4.87850000       3.72750000       0.42433276       0.15633522       2.23112254
Cr       2.93284000       1.88514000      13.55631000      -2.58099731       0.24954228      -0.48442061
Cr       0.29945000       3.38287000      22.97383000      -1.48667667      -0.66784952       2.54433751
Cr       0.28313000       1.53539000      20.75706000       0.23143513       0.79556516       0.32396519
Cr       1.87492000       4.19311000      20.85105000      -0.34321948      -2.08879105      -0.06947225
Cr      -1.05722000       4.20898000      20.71825000       2.16721194      -2.66351031       0.42050474
Cr       2.85227000       3.25823000       1.39809000       0.57615144      -1.36547106      -0.32136424
Cr       1.45514000       0.57053000       1.34402000       0.15080216       0.52156259       0.54415882
Cr       4.32338000       0.75782000       1.33621000       3.81033753      -0.31400475       1.23226701
Cr       2.82737000       0.25895000      11.03615000      -0.52022454      -2.84947680       1.10661771
Cr       4.29859000       2.77539000      11.07722000      -0.12264907      -0.06616195       1.78761445
Cr       1.32915000       2.74871000      10.99608000       1.04694626       1.11154181       3.35390402
O        1.67452000       0.63873000      19.65419000      -0.99182484       0.17400467      -1.07574911
O        4.66264000       0.61283000      19.74815000       1.52602441       0.70972428      -1.08975628
O        3.36828000       3.46793000      19.75415000      -0.88171657       0.16192195      -1.41370562
O        4.25695000       2.39447000       0.19229000      -1.36690836      -0.76776437       0.67119707
O        1.35744000       2.18208000       0.12235000       0.69894379       0.80870652       1.70328050
O        3.00733000       0.17268000       0.17962000      -1.37133152      -3.67360694      -0.57842447
O        1.22053000       4.32772000       9.83088000      -0.39426914       0.38417374       0.07989434
O       -1.35780000       4.27496000       9.83951000      -1.89537080       1.34366071       0.45926690
O       -0.11056000       2.07026000      10.01334000      -0.95337497      -2.34621814      -0.35623825
O        1.41410000       1.15832000      12.23676000       0.40672697      -0.19372973       0.24886980
O        4.07702000       0.98133000      12.32379000       1.62590652       0.85601044      -0.65465134
O        2.93666000       3.46745000      12.33564000      -0.79339214      -0.16326739      -0.78404293
O       -1.00498000       2.35325000      21.92623000      -0.60312477       1.16540578      -0.19756180
O        1.61715000       2.44726000      21.96398000       0.68044263       0.41651640      -1.26271827
O        0.41829000       4.91882000      21.89093000      -0.74443170       0.83226557      -0.49875142
O        1.64526000       4.18109000       2.65471000      -2.28627887      -1.12326588      -2.12778728
O       -1.55862000       4.04548000       2.52538000      -0.12184206      -0.07412426       0.00977791
O        0.08997000       1.20552000       2.50396000      -1.20459495       2.34296183       0.28488631
O        1.12675000       0.71341000       4.97992000      -0.09283995      -0.59075126       1.73218372
O        4.36501000       0.51981000       5.03501000       0.94079024       0.93344193      -0.68513412
O        2.86217000       3.32508000       5.15441000      -1.91025534      -0.69067796      -2.12342139
O        4.29600000       2.61320000      14.66139000       0.89668226       0.60158355       1.26033868
O        1.59704000       2.78350000      14.95395000      -0.66748903      -1.04308177      -1.21584541
O        2.99718000       0.36780000      14.92768000       0.03431147      -0.21002049      -1.21108136
O        1.52311000       4.33823000      24.26517000       0.76054941      -0.05320506      -0.20208036
O       -1.13860000       4.19343000      24.11790000      -1.16882946       1.05523074      -0.60336121
O        0.18399000       1.93630000      24.38694000      -0.73117570       1.22826203      -0.77924328
O       -2.39253000       4.94142000      21.72553000      -2.74635703       1.20637504       1.97245036
O        2.91339000       1.49741000       2.31887000      -0.97121098       0.72619853       1.90028917
O       -0.12681000       3.65283000      12.12321000       0.07751988      -0.28657818      -0.39728124
O        2.70366000       4.80646000       7.29243000      -0.38622310       1.27704224       0.80969108
O        3.04421000       1.91246000      17.10462000       0.14559920      -0.19867213      -1.34317229
O       -0.03626000       3.57963000      26.29311000       1.70859894       0.06520982       1.34147369
O        2.91556000       4.89113000       0.42059000      -0.93089127       0.61114465      -1.72858897
O        2.77520000       1.86803000      10.02691000       0.77512241       0.94302710       0.20850038
O        0.47496000       3.17532000      19.70032000      -0.60046295       1.35511094       0.06247735
O        0.12810000       1.49151000      17.28123000      -0.53270061       1.72731402      -0.87741301
O        1.76030000       4.54463000      17.02897000      -0.78574640      -0.55939718       0.99813953
O       -1.49739000       4.49828000      17.13230000       1.17174090      -1.90523519      -0.41833995
O        3.03876000       3.27250000      26.61648000      -0.74630998       0.71136697      -1.03888899
O        1.40581000       0.89588000      26.33334000       2.07077326       0.59002225      -0.60411337
O        4.31675000       1.03136000      26.27314000      -1.66953901       0.86262677       0.97847573
O       -0.17229000       4.84546000       7.22757000      -1.00121675       0.17626211       0.73149594
O        4.28038000       2.45300000       7.35550000      -0.06662769       0.42344966       0.75059486
O        0.97642000       2.47457000       7.49943000       1.97340285      -1.31142815      -1.65639262
Zn       5.70667000       0.16370000      27.03061000       1.01848446      -1.78994380       1.28344166
Zn       2.72832000       1.53116000       8.20239000      -0.35722964      -0.17046355      -2.19685139
Zn       0.21776000       3.50983000      17.78551000      -0.19312433      -0.41893685      -0.27902876
Zn       0.17213000       0.30021000      23.59780000       0.08034783      -2.06506388      -0.16584359
Zn       2.79215000       1.43809000       4.41724000       0.31578556       0.59418239      -0.52314964
Zn      -0.11416000       3.75533000      14.10380000       0.74454461      -0.94519246      -0.30678246
Zn       5.71105000       0.14895000      13.30847000       0.62700551       0.17295144      -0.27709782
Zn       2.95433000       1.60951000      22.99845000       1.59564717      -0.11441950       0.11150933
Zn       0.17090000       3.09513000       3.45284000      -0.90918136      -0.03738644       0.51043290
Zn      -0.11519000       0.22474000       9.48966000       0.23515969      -1.40213276      -0.84769766
Zn       3.09216000       1.70526000      19.09348000       1.03590615       0.05555482      -0.70101900
Zn      -0.09620000       3.29545000      28.24895000      -0.00915066       0.89220800      -0.23327052
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.70839334 magmom=72.0020485 free_energy=-551.70855188 stress="-0.022157351086719842 0.0015853827455874958 0.0006919800761082233 0.0015853827455874958 -0.045340883718380125 0.007842084628426504 0.0006919800761082233 0.007842084628426504 -0.03795952982364228" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57678000       1.10070000      16.07321000      -0.77414384      -0.47841141      -1.09788011
Cr       4.54826000       1.05831000      15.94473000       0.46924885       0.21652764      -0.38593712
Cr       3.03776000       3.65502000      15.89990000      -0.25653148      -1.44705437      -2.03558856
Cr      -1.47951000       2.82686000      25.32969000      -0.57925373      -1.43196317       0.10008717
Cr       1.54785000       2.62747000      25.44560000      -1.40494881       1.49679414      -2.70953752
Cr       2.99788000       0.12030000      25.25274000       0.26508266       0.58023618      -0.04213448
Cr       1.11828000       4.00901000       6.09638000       1.57304974       0.35914295       1.01726986
Cr      -1.75059000       4.09224000       6.24742000      -1.11623695      -0.52813435      -0.62230147
Cr      -0.27423000       1.52386000       6.33234000       0.09318999      -1.04360739      -0.72527203
Cr      -2.74939000       4.97505000      18.33241000       0.17902760       1.64420697      -0.42457042
Cr       2.87559000       1.66888000      27.54432000      -1.29574851      -0.23763018       3.85506264
Cr      -0.20625000       3.41092000       8.63904000      -0.53605404      -0.15599590       0.52439767
Cr       3.00070000       4.78067000       3.68123000      -2.91892123       0.89550159       2.79597615
Cr       2.81061000       1.81838000      13.54199000       0.40092072       1.69920287      -0.37493462
Cr       0.30807000       3.42093000      23.10347000      -0.93148486       1.68637932      -3.49023149
Cr       0.42031000       1.52493000      20.81715000      -1.22451958       1.89234022      -2.91077867
Cr       1.93037000       4.11570000      20.87663000      -1.96880407       0.51729685      -1.97055586
Cr      -1.08328000       4.13148000      20.74697000       0.91619233      -0.06522927      -1.23631398
Cr       2.89490000       3.12354000       1.33759000      -0.35288724       0.44884432       0.91547470
Cr       1.44005000       0.61895000       1.34516000       1.00488948      -0.29798812       0.75735988
Cr       4.45643000       0.65164000       1.38017000      -0.79915828      -0.91642952       0.45775049
Cr       2.87064000       0.19123000      11.00100000      -1.63424065       2.12088420       0.76694874
Cr       4.11174000       2.87599000      11.07954000       3.63969463      -0.56984075       1.65537967
Cr       1.32802000       2.81950000      11.15113000      -2.11767736      -1.47733371      -0.32912247
O        1.74029000       0.44220000      19.45419000      -0.48351356       1.69841210       0.58224020
O        4.79347000       0.47892000      19.59676000       0.45028454       1.81614889       0.95085592
O        3.24662000       3.49221000      19.56161000       0.83271239      -0.92678557       0.98262273
O        4.19803000       2.26944000       0.27486000       1.43176432      -0.13670878      -1.15677480
O        1.39904000       2.24504000       0.29833000       0.87314324       0.32365982      -1.25535770
O        0.06037000       5.06647000       0.04781000      -0.23885935       2.98715475       1.58903133
O        1.14897000       4.33124000       9.90708000      -0.01942620      -0.18382710      -0.93571169
O       -1.59553000       4.33750000       9.79678000       2.72369136      -0.59435171       0.55725704
O       -0.19258000       1.98791000      10.07573000      -0.42538590       0.90084696      -0.31903067
O        1.48832000       1.10963000      12.14050000      -0.78917638       0.08751173       1.15210609
O        4.06672000       0.90750000      12.41939000       1.07244171       0.99343654      -1.49322834
O        2.71153000       3.42091000      12.30808000       0.53042225       0.97143199       0.46524252
O       -1.00687000       2.59802000      21.83948000       0.27439142      -1.60575551       1.17175024
O        1.73493000       2.49047000      21.92529000       0.01452648      -0.22746960       1.41219538
O        0.39074000       4.98785000      21.88101000       0.09424651      -0.37641106       0.26705491
O        1.64037000       3.90369000       2.47329000      -1.22449185       2.33279929       0.52925099
O       -1.65688000       4.01705000       2.52996000       1.58233722      -0.06650939      -1.07358008
O        0.04630000       1.39063000       2.58627000      -0.50643455      -2.18220986      -1.21500386
O        1.04537000       0.52086000       5.15072000       1.18620142       1.64435510      -1.29223604
O        4.30552000       0.51497000       5.08092000       0.72439789       0.40473790      -0.64055935
O        2.70462000       3.31530000       5.03701000       0.03058025       0.00604256      -0.09199865
O       -1.49984000       2.68546000      14.65506000      -1.05628325      -0.51290823       0.69682488
O        1.60266000       2.76298000      14.94572000      -0.69377348      -0.34984722      -1.07569368
O        2.99756000       0.47035000      14.83601000      -0.02359392      -1.36874488       0.56230486
O        1.53181000       4.30671000      24.31706000       0.63801781       0.41769855       0.35245233
O       -1.30166000       4.29648000      24.10750000       1.33729997       0.12448182       0.61343085
O       -0.04948000       2.06884000      24.26071000       0.79449398      -2.56304554       1.69432731
O       -2.49650000       5.06836000      21.82593000      -0.23706249      -1.58119564      -1.52130395
O        2.90126000       1.44111000       2.44038000       0.38654377      -0.37027051      -0.69900514
O       -0.30688000       3.84302000      12.09489000       0.68415342      -2.89997454       0.97310126
O        2.71249000       4.90688000       7.27179000      -0.87507837       0.27998093       0.39952925
O        3.07870000       1.85306000      16.99111000       0.41645259       0.79895232       0.79199999
O        0.05618000       3.57517000      26.30214000      -0.32843282      -0.32713216       0.52504006
O        3.00265000       4.89979000       0.25549000      -0.70919572      -0.30031422       2.18288617
O        2.85113000       2.02456000      10.05977000      -1.59036080      -1.54549963      -0.95661390
O        0.39971000       3.19481000      19.67035000      -0.02565376       0.48861091       1.00791881
O        0.08933000       1.60590000      17.24224000       0.02862954       0.16799371      -0.41331645
O        1.73574000       4.50031000      17.06990000      -0.50008094      -0.01681119      -0.19170521
O       -1.45039000       4.38264000      16.84889000       1.14578574       1.02311424       1.83996984
O        2.92063000       3.36586000      26.51275000       0.53364010      -0.05147307       0.02811207
O        1.50585000       0.96896000      26.27472000       0.18707756      -1.17996718       0.90331376
O        4.24068000       1.17622000      26.43531000       1.65033806      -1.21136423      -1.68750727
O       -0.33688000       4.85771000       7.22883000       1.62775138       0.02783937       1.13343393
O        4.26084000       2.53775000       7.32750000       0.92917923      -1.12262885       1.41551943
O        1.15288000       2.44153000       7.64597000      -2.51568626       1.04320294      -2.60087772
Zn       5.74042000       0.10474000      27.09434000       0.13497848       0.61095675      -1.41701229
Zn       2.66459000       1.56618000       8.15257000       1.59137714      -0.45108024      -0.18240162
Zn       0.12060000       3.59327000      17.71492000       0.21146954      -0.74239076       0.35445944
Zn       0.19179000       0.29275000      23.56470000      -1.14409751      -0.13775948       2.04144723
Zn       2.77244000       1.47717000       4.42627000      -0.41416455      -0.30934751       0.23210280
Zn       0.02445000       3.77953000      14.10413000       0.00370426      -0.61026549      -0.15388420
Zn       5.81227000       0.15365000      13.21448000       0.05719385       0.37859620       0.33940450
Zn       3.17754000       1.58310000      23.10746000       0.10909239       0.48269046      -1.48952188
Zn       0.01269000       3.03565000       3.50000000      -0.14835900       1.37020292       0.97247474
Zn       5.74832000       0.13746000       9.55815000      -1.60505217       1.15100030      -1.41890596
Zn       3.17953000       1.68978000      19.01729000       0.51828045      -1.11608571      -0.32476928
Zn      -0.17169000       3.35017000      28.23175000       0.11687725      -2.37146326       0.39579071
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.24737562 magmom=71.9942938 free_energy=-551.24737562 stress="-0.03820184600461747 -0.005201405364309259 -0.002180528335418836 -0.005201405364309259 -0.03956904063944259 -0.002008174397397873 -0.002180528335418836 -0.002008174397397873 -0.041909506491533" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57152000       1.21670000      16.06497000      -0.13439290      -2.78161140      -1.88074652
Cr       4.55120000       1.10200000      15.98324000      -0.23619954      -1.61444267      -2.52769219
Cr       3.07399000       3.57108000      15.89451000      -0.88320147       1.36606682      -1.50662155
Cr      -1.57230000       2.78601000      25.32623000       1.99452388      -0.13674337      -0.81759630
Cr       1.43643000       2.59181000      25.46271000       0.32262727       0.43865184      -2.02965150
Cr       3.01950000       0.18215000      25.29996000       1.71848426      -1.13787521       0.00779217
Cr       1.11162000       3.97009000       6.15253000       1.16748415       3.28305743      -1.27366575
Cr      -1.73867000       4.03315000       6.29313000      -1.00693522       0.64645167      -0.09195860
Cr      -0.25343000       1.52908000       6.24614000      -0.73204593      -0.63361650      -0.78879275
Cr      -2.72385000       5.01045000      18.17218000       0.21004052       1.08392892       2.70013265
Cr       2.94326000       1.78960000      27.61645000      -0.22225559      -2.50047650      -0.10840162
Cr      -0.20253000       3.51099000       8.70617000      -0.51059037      -3.36986097      -0.64701426
Cr       2.91758000       4.74492000       3.77550000      -1.19449476       1.76322032      -1.72247129
Cr       2.73106000       1.84013000      13.51014000       3.35416277       0.10853891       0.15637852
Cr       0.26159000       3.50974000      23.08262000       0.70115886      -1.30226928       1.22463577
Cr       0.48142000       1.59837000      20.72286000      -0.89541815      -1.00648066       0.27529604
Cr       1.87850000       4.07145000      20.77818000      -0.79182260       1.39845866      -0.84003873
Cr      -1.05443000       4.04816000      20.70856000      -2.94547979       2.76023455       0.14117112
Cr       2.92951000       3.01545000       1.30864000       1.18049848       3.06418419       3.39420998
Cr       1.48824000       0.65702000       1.36698000      -0.41357040      -1.22641923       0.67341682
Cr       4.52772000       0.51178000       1.43571000      -4.21126139       1.08529961      -1.21479528
Cr       2.82016000       0.21090000      11.04334000      -0.39499991       0.92911889       0.93773296
Cr       4.11176000       2.91985000      11.15862000       0.71800033      -3.36950353      -0.45619816
Cr       1.20766000       2.79735000      11.27463000      -0.80691423      -1.57743930      -3.06997753
O        1.68483000       0.56364000      19.35032000       0.51945027       0.26138294       0.85090883
O        5.02029000       0.66562000      19.57972000      -1.45209856       0.28152922      -0.45702303
O        3.26591000       3.43352000      19.51195000       0.61021837       0.16361883      -0.25657445
O        4.36078000       2.10978000       0.23859000       0.42239315       1.68174815       0.28486797
O        1.55619000       2.32751000       0.28506000      -1.52597212      -0.45033758      -1.58726232
O        2.94881000       0.13549000       0.19245000      -0.07778676      -1.37037207      -0.99260343
O        1.04721000       4.29856000       9.88758000       1.69095012       0.48675364       0.95695991
O       -1.43911000       4.34542000       9.90724000      -1.94200602       1.68313619       0.07730194
O       -0.34370000       2.04311000      10.07474000       1.03850951      -0.41603750      -0.08205019
O        1.47002000       1.10695000      12.23967000      -0.54685394      -0.32099352       0.14670347
O        4.18120000       1.05404000      12.22453000      -0.74803404       0.73677686       0.24387364
O        2.64094000       3.48428000      12.32815000       0.57663208       0.50847364       0.46461617
O       -0.91588000       2.57979000      21.92473000      -0.95947584      -1.43161714      -0.53818459
O        1.75684000       2.55438000      22.04195000      -0.26134906      -0.43471270      -0.35207552
O        0.36234000       4.92596000      21.85641000       0.19560406       1.01221466      -0.66108452
O        1.46711000       4.00223000       2.35209000       0.90461547      -1.36478860       2.21422114
O       -1.60479000       4.03068000       2.42536000       0.06950680      -0.32304674       1.38561267
O       -0.06315000       1.21031000       2.50614000       1.85650093       1.24491261       2.33497059
O        1.14421000       0.54432000       5.14895000       0.11378098      -0.23805837      -0.38143049
O        4.41487000       0.54898000       5.05338000      -0.79869387      -0.04747416      -0.64465597
O        2.50962000       3.32227000       4.92433000       1.24164476      -1.00837513       2.05626132
O        4.28220000       2.63963000      14.79151000       0.88376217       0.20130320      -1.61458559
O        1.53917000       2.64890000      14.76432000       0.14457133       0.97911433       0.87183167
O        2.99460000       0.42019000      14.81029000      -0.15282602      -0.09771994       0.16424406
O        1.56670000       4.30371000      24.39264000      -0.53693985      -0.00798399      -0.80955711
O       -1.18784000       4.38779000      24.19741000      -0.73296793      -0.52093222      -0.73464377
O       -0.09658000       1.95593000      24.36112000       1.13752103       0.61003632      -0.49504678
O       -2.70149000       5.00117000      21.67663000       2.39317697       0.48142966       1.35267110
O        2.93993000       1.37128000       2.42462000       0.28276303       0.61145273       0.75617596
O       -0.30061000       3.59952000      12.15244000       0.70287818       1.27448927       1.29592892
O        2.60810000       5.04458000       7.28391000       0.60075874      -1.71645460       0.71920400
O        3.14310000       1.92929000      16.93022000      -0.70713930       0.27718830       1.78646694
O        0.11025000       3.53493000      26.36990000      -1.66638346       0.60826317       0.27643463
O        2.95935000       4.85333000       0.44085000       0.90961437      -0.69362881      -2.45685240
O        2.70194000       1.96437000      10.05944000      -0.27575003      -0.11439679       0.00076614
O        0.34609000       3.31261000      19.79759000       1.36335888      -0.73254782      -2.78088951
O        0.05247000       1.75367000      17.07706000       0.57008099      -0.50895260       1.28049651
O        1.65707000       4.48142000      17.03902000       0.91984928       0.20271941      -0.31892677
O       -1.32194000       4.42822000      16.79041000      -2.15356307       1.31079993       0.43925237
O        2.89614000       3.44019000      26.37634000       0.16663593      -1.12466396       1.51890674
O        1.63620000       0.87728000      26.35156000      -1.23364345       1.03761705       1.39101664
O        4.34943000       1.15171000      26.33507000      -0.35182621      -0.26958767       1.19249261
O       -0.26372000       4.81654000       7.35993000      -0.24443922       1.41777205      -0.91321982
O        4.42680000       2.48343000       7.50028000      -1.65821959       0.04581004      -0.37069484
O        0.96191000       2.53508000       7.30277000       1.94769013      -1.16698221       2.22632854
Zn       5.78907000       0.06584000      27.11077000       0.26140223       0.90487159       0.25043108
Zn       2.66143000       1.58753000       8.07817000       0.22510217       0.57963784      -0.13195405
Zn       0.05186000       3.62710000      17.68198000       1.24218842      -0.93756226       1.62263504
Zn       0.16170000       0.25691000      23.61323000      -0.14732066      -1.21864411      -0.36485670
Zn       2.73732000       1.49601000       4.43551000       0.57329639      -1.02075707      -0.65639010
Zn       0.15111000       3.76814000      14.09687000      -1.40594483      -0.39871626       0.10135691
Zn       0.00663000       0.17745000      13.15287000      -1.02461801       0.29792128       1.02554205
Zn       3.39628000       1.58123000      23.15144000      -0.72593624       0.63218689      -1.69825227
Zn      -0.14477000       3.03635000       3.58643000      -0.00583833       0.40731389      -0.71920643
Zn       5.65745000       0.09810000       9.55037000       0.25664758       0.80333805      -1.15297086
Zn       3.29152000       1.61925000      18.93437000       0.40251300      -0.76018496       0.34988856
Zn      -0.22893000       3.32248000      28.23726000       1.12461085       0.68124383       0.99747938
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.55091301 magmom=72.0009794 free_energy=-551.55091301 stress="-0.03422685468510864 -0.005162415486920579 -0.0013599831826980558 -0.005162415486920579 -0.031028655439483993 0.0010903635013271567 -0.0013599831826980558 0.0010903635013271567 -0.03619981016889396" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52798000       1.15838000      15.97853000       1.08031837       0.82095059      -1.77540067
Cr       4.55772000       1.05925000      15.90526000      -1.12766976       0.44093838      -1.00860615
Cr       3.07107000       3.59987000      15.86832000      -0.84849947      -0.12077356      -1.79903434
Cr       4.33144000       2.71092000      25.32106000       2.22212496       0.52353762      -0.47393123
Cr       1.39058000       2.58773000      25.44729000       1.77612146       0.85600225       1.44014569
Cr       3.10330000       0.20925000      25.38810000      -1.94466688      -1.99615135      -0.70604614
Cr       1.17350000       4.10475000       6.15552000      -0.66632992      -0.19711166       0.93448863
Cr      -1.78130000       4.01541000       6.33879000       0.26571589       0.69203404      -0.32631639
Cr      -0.26611000       1.49115000       6.14346000       0.63300449       0.69897810       1.26810752
Cr       0.25838000       0.00711000      18.09096000      -1.54440574       1.45938641       5.58184609
Cr       2.95968000       1.81472000      27.70323000       0.58237923      -2.45535490      -1.45748863
Cr      -0.23083000       3.44703000       8.74325000       0.12057834       0.73566472      -1.03051646
Cr       2.76390000       4.78945000       3.80813000       1.79522628      -1.24574396       0.48184426
Cr       2.84117000       1.88326000      13.49101000       1.00657002       0.73270898       1.18920693
Cr       0.24457000       3.52399000      23.07350000      -0.05364404      -1.91881156      -1.56767446
Cr       0.47628000       1.62310000      20.63418000      -0.55480897       0.11696887       1.98346008
Cr       1.80808000       4.13174000      20.62870000       1.75979497       1.12683352       1.03286504
Cr      -1.15209000       4.11844000      20.64382000       1.20088196       0.10205943      -0.05950633
Cr       3.00867000       3.04476000       1.37258000      -0.50583348       1.65487488       1.49270520
Cr       1.50824000       0.62403000       1.42510000      -1.70432253      -0.19164252       0.14548051
Cr       4.40875000       0.43304000       1.43778000       1.26083832       1.20246447      -0.14308905
Cr       2.74053000       0.29835000      11.14147000       0.35753133      -1.94607530      -0.20105676
Cr       4.17712000       2.81028000      11.21318000      -1.29831317       3.44366506      -1.96818238
Cr       1.05101000       2.67523000      11.21307000       3.74963048       0.89493070       0.05155176
O        1.68594000       0.71211000      19.43838000       0.75975222      -0.98241378      -0.72029797
O        5.00646000       0.86836000      19.51175000       0.07283317      -2.29889772      -0.20117160
O        3.38652000       3.46160000      19.46337000      -1.06340950       0.32582685      -0.83452153
O        4.50956000       2.10962000       0.29166000      -1.99745625       0.15798167       1.19239048
O        1.47000000       2.34503000       0.10309000       0.62568510       0.01440324       2.61391341
O        2.92221000       0.17917000       0.21497000       0.25210016      -2.06984246      -0.42450986
O        1.11092000       4.28394000      10.02236000      -1.18829898       0.08339930      -0.11463275
O       -1.50126000       4.51666000      10.03564000      -0.85820736      -1.42461908      -0.85651021
O       -0.31740000       2.07050000      10.05799000      -0.49228143      -1.66407371      -0.52112813
O        1.43157000       1.13056000      12.35983000       0.28370441       0.18469786      -0.57376504
O        4.11566000       1.29179000      12.09478000       0.43629038      -3.70163232       2.71107935
O        2.72015000       3.55252000      12.40276000      -0.42218234      -0.83214633      -1.08373363
O       -0.91642000       2.35034000      21.93043000      -0.49168039       1.48649040      -0.87489887
O        1.67263000       2.59644000      22.05148000       0.47150388       0.07410269      -1.39848543
O        0.36455000       4.92306000      21.72780000      -0.19247227       0.39011112       0.37285900
O        1.51898000       3.97672000       2.59411000      -0.23821866      -0.92056155      -0.61538149
O       -1.59406000       4.03003000       2.53903000      -0.28271033      -0.19313414       0.33662517
O        0.04549000       1.12352000       2.67735000      -0.75100428       1.99880897      -1.19051012
O        1.17963000       0.51274000       5.07429000      -0.89546680      -0.43576797       0.66285726
O        4.40979000       0.56020000       4.94326000      -1.01435050       0.11561994       0.48535968
O        2.58291000       3.26672000       5.17659000       1.53691671      -0.03883343      -0.43675976
O        4.26035000       2.60434000      14.70006000       1.15620874       0.65959813      -0.16512711
O        1.59430000       2.64605000      14.76192000       0.36795322       0.86489569       0.74536854
O        2.96914000       0.39221000      14.82724000       0.27824102      -0.12991888      -0.38852157
O        1.46674000       4.28032000      24.34151000       1.08581349       0.49371728       0.32492514
O       -1.12552000       4.34315000      24.22121000      -1.76302134       0.49235942      -0.12846903
O        0.06059000       1.95184000      24.38348000      -1.34735768      -0.54543006      -1.47575173
O       -2.54121000       4.96542000      21.62110000      -0.97065658       0.69874508       1.13042394
O        3.01356000       1.41949000       2.43573000      -0.49419400      -0.11961731       0.69416111
O       -0.20788000       3.52545000      12.33739000      -1.15965562       1.15630419      -2.03452333
O        2.61973000       4.92706000       7.33377000       0.36782285       0.20616446      -0.34297507
O        3.08947000       2.03925000      17.04890000      -0.16447075      -1.09077747      -1.35960189
O       -0.08349000       3.56299000      26.37151000       0.54419028      -0.13086857       0.16036127
O        3.00833000       4.72795000       0.37752000      -0.17618685       0.72517664       0.55118442
O        2.49281000       1.84616000      10.07194000       1.16501170       1.17808583      -0.61374965
O        0.42740000       3.33668000      19.55465000      -0.81193080      -0.09012773       0.61919250
O        0.08297000       1.78273000      17.06819000      -0.39409467      -0.56777087      -0.11092575
O        1.70987000       4.51528000      16.94326000      -0.23984019       0.02485102       0.54347132
O       -1.48874000       4.63553000      16.81372000       2.13321715      -3.03367364       0.36706926
O        2.92059000       3.32697000      26.46546000      -0.22556712       0.17457791       0.15137317
O        1.60505000       0.90900000      26.59349000       0.80107688       1.11038444      -1.67457104
O        4.44876000       1.06450000      26.35074000      -0.78064210       0.87662945       1.54633854
O       -0.21674000       4.89374000       7.34292000      -0.75052928      -0.50823525      -0.17468967
O        4.36815000       2.44996000       7.55934000      -0.02652121       0.41240599      -1.05376687
O        0.99585000       2.50224000       7.25549000       0.37089587      -0.00213136       1.27791960
Zn       5.85170000       0.07101000      27.12660000       0.41725997      -0.24363220       0.01360239
Zn       2.67704000       1.63325000       8.00681000      -0.70140093       0.12642688       0.64180567
Zn       0.04425000       3.61701000      17.72348000       0.33163165       0.18542698      -0.58637617
Zn       0.11855000       0.16645000      23.65828000       0.66825094      -0.84123461      -0.91983026
Zn       2.73132000       1.46511000       4.41773000      -0.00690065      -0.00730786      -0.32513682
Zn       0.20360000       3.73580000      14.10158000      -0.96654459      -0.15078992       1.46906016
Zn       0.04107000       0.21326000      13.15708000      -1.45928705      -0.53400435       1.65426778
Zn       3.56759000       1.61194000      23.11130000      -1.44434624       0.19916483      -1.70045171
Zn      -0.29536000       3.06496000       3.65911000       0.73987456      -0.14689108      -0.06411344
Zn       5.57835000       0.10915000       9.47480000       1.02683009       0.32554614      -0.69414875
Zn       3.41591000       1.51167000      18.87462000      -1.35010643       1.07177493       0.56445442
Zn      -0.21187000       3.32355000      28.28230000       1.66570659       1.46032308      -0.25588008
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.93506424 magmom=72.0001013 free_energy=-550.93513522 stress="-0.04041496399296354 0.0021862109798175882 -0.00669634168962154 0.0021862109798175882 -0.04154249558127119 0.002016098473829384 -0.00669634168962154 0.002016098473829384 -0.04029919375415718" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50794000       1.07123000      15.85227000       0.96726767      -0.24779583       0.49643036
Cr       4.52108000       1.02076000      15.78088000       0.10502106       1.24096757       0.65878040
Cr       3.03525000       3.68284000      15.82632000       2.23576231      -0.54104063       0.80812566
Cr      -1.45251000       2.63901000      25.31953000      -0.99460128       0.28709156      -0.51776207
Cr       1.45474000       2.62235000      25.52643000      -0.23403276       1.94651312      -2.53843619
Cr       3.09089000       0.15095000      25.47799000      -1.22237608      -0.34735356      -2.51788922
Cr       1.20713000       4.23996000       6.20410000      -0.46207610      -3.80966828       1.19279120
Cr      -1.78813000       4.04506000       6.37626000       2.08485203       0.73695002      -0.84626522
Cr      -0.24623000       1.49936000       6.11331000       0.16766706       1.72838451       2.06893376
Cr       0.23859000       0.17907000      18.19158000       2.79693099      -2.90942918      -2.26550430
Cr       2.98300000       1.72411000      27.77547000      -0.59240527      -0.56234788       1.04394406
Cr      -0.26426000       3.38730000       8.71480000      -0.10817237       0.86202040       0.27094192
Cr       2.70085000       4.80194000       3.84586000       2.01550428      -0.40886290       0.53818206
Cr       3.02255000       1.97262000      13.54115000      -2.43256042      -0.13137296      -0.29013481
Cr       0.23595000       3.43045000      22.96820000       0.02365863       1.11404912      -1.55554372
Cr       0.43191000       1.64075000      20.64259000       0.57550806       0.58037535       0.16859730
Cr       1.82420000       4.26235000      20.51852000       0.14750478      -2.43621759       2.25033417
Cr      -1.21089000       4.21971000      20.56846000       2.12565120      -1.35820461       0.25956736
Cr       3.05579000       3.13337000       1.46029000      -3.26190345      -0.26173597       2.64457006
Cr       1.43282000       0.57639000       1.50252000       0.15201474       1.48365510       0.45252273
Cr       4.32335000       0.43197000       1.42775000       2.21700220       0.13456735       2.23911474
Cr       2.66941000       0.28249000      11.21606000       0.41964404      -1.98070508      -1.16034400
Cr       4.17360000       2.80368000      11.18019000      -1.15921799      -0.72388387      -0.95060599
Cr       1.09868000       2.59668000      11.12053000       1.12410364       2.57391345       1.29466318
O        1.76909000       0.68750000      19.46499000      -0.31585445       0.83021020      -0.51478397
O        5.01057000       0.67351000      19.47883000      -1.71960817       2.57488745       1.35680663
O        3.34258000       3.59802000      19.30189000      -0.47456214      -0.79772242       0.54918179
O        4.30604000       2.15238000       0.52962000       2.25087341       0.47220870      -2.34476389
O        1.51094000       2.32279000       0.35321000       0.38755853      -0.63124637      -0.03262934
O        0.00867000       5.04143000       0.18118000      -0.74033564       3.43423622       1.25203083
O        0.96092000       4.28965000      10.15456000       0.59858464       0.27915277      -2.72827875
O       -1.69667000       4.44099000      10.05630000       0.96311028      -0.86131072      -0.82434915
O       -0.34120000       1.90256000       9.98978000      -0.33635255       0.98028596       0.04271374
O        1.47451000       1.21735000      12.39280000      -0.95607292      -0.73151103       1.10464688
O        4.09951000       1.06158000      12.33254000       1.62358593       0.02979466      -1.21027829
O        2.74404000       3.42836000      12.27838000      -0.52146969       1.15948530       0.34190207
O       -0.97608000       2.43817000      21.70657000      -0.80948739       1.19392426       0.47194948
O        1.60539000       2.70038000      21.75571000       1.06987493      -0.34984025       0.88389945
O        0.34397000       4.92580000      21.64851000      -0.10676203       0.70518329       1.14985871
O        1.59592000       3.78784000       2.75077000      -1.44196875       1.09089478      -2.03636979
O       -1.70090000       4.05051000       2.70261000       0.68750610       0.66642071      -0.28706070
O        0.04578000       1.30145000       2.70804000      -1.31034414      -0.85912349      -0.76482996
O        1.01238000       0.41540000       5.13249000       1.62853597       1.77045748      -0.72638554
O        4.30248000       0.54963000       4.94347000       0.44910634       0.39512512       0.61173342
O        2.85211000       3.20973000       5.37561000      -3.13510094      -0.74932081      -2.93399329
O       -1.46237000       2.66964000      14.59293000       0.27574281       0.43362445       1.48441134
O        1.74970000       2.76343000      14.89279000      -2.18289759      -0.42721635      -1.88772803
O        2.99677000       0.41238000      14.77247000      -0.04241407      -0.63836654      -0.68707637
O        1.43994000       4.28975000      24.33416000       0.06390756      -0.17018987       0.47613040
O       -1.30615000       4.29262000      24.21662000       1.89910713      -0.62641807       0.73414713
O        0.07588000       1.96483000      24.20531000       0.06636804      -1.03485814       1.33669082
O       -2.49067000       5.07971000      21.72644000      -1.42502759       0.03900751      -0.63250377
O        2.98317000       1.45033000       2.48813000      -0.48475246      -1.16643658      -0.29212766
O       -0.30937000       3.67693000      12.16570000       0.60836917      -0.84834235       1.19212775
O        2.68947000       4.84918000       7.30842000      -1.08096495       1.80973788       0.94901871
O        2.99414000       1.93710000      16.87123000       0.84588396      -0.55595784       0.50777219
O       -0.16936000       3.56470000      26.34355000       1.82298612      -0.63442631       1.63444190
O        3.03473000       4.75235000       0.41835000      -0.78770015       1.15110888       0.02676620
O        2.52992000       1.88657000      10.05669000       1.55619781      -0.11702458      -0.58272949
O        0.42454000       3.31703000      19.53079000      -0.79146930       0.25179604       0.56258486
O        0.05025000       1.70707000      17.00803000       0.17708552       0.53005740      -0.32411381
O        1.72959000       4.57564000      16.93578000      -0.14765704      -0.10590861       0.91315125
O       -1.34635000       4.41736000      16.88975000      -2.05661081       1.96889329      -0.80143928
O        2.95344000       3.25417000      26.57240000       0.49651602       1.24310652      -0.29348337
O        1.67609000       1.10037000      26.51701000      -0.99279104      -2.58355756       0.42828091
O        4.37949000       1.11933000      26.59735000       0.86970667      -0.96741405      -0.73767454
O       -0.29017000       4.86189000       7.26856000       0.80831861       0.82138997       1.24078810
O        4.33479000       2.51928000       7.40000000       0.84431878      -1.67243587       0.96687623
O        1.05089000       2.47360000       7.46500000      -1.45237055       0.98469032      -1.27702571
Zn       0.04447000       0.07035000      27.14826000       0.30495251      -0.17016709      -0.23255686
Zn       2.66914000       1.68463000       7.96574000       0.33674560      -0.57445324       1.13898635
Zn       0.05556000       3.61275000      17.72418000       1.31093021      -0.77982742      -0.63194134
Zn       0.10192000       0.02118000      23.65541000      -0.37017018       0.58035573      -0.86777009
Zn       2.71846000       1.43020000       4.38598000      -1.44231313       0.66107458       0.78948671
Zn       0.19759000       3.68781000      14.16373000      -0.71817954      -0.27025560      -0.75990118
Zn      -0.00285000       0.22611000      13.24942000      -0.54479095      -0.43674725       0.18519508
Zn       3.66949000       1.65591000      22.98760000      -1.60590489      -0.50412048      -1.05151057
Zn      -0.41251000       3.08667000       3.74592000       1.52747912      -0.43544401       0.52625825
Zn       5.53915000       0.13224000       9.34618000      -0.34425199      -1.28425666      -0.00292182
Zn       3.47076000       1.45760000      18.82888000      -1.91524680       2.08103899      -0.83589747
Zn      -0.10468000       3.37640000      28.32526000       0.08933304      -4.12411814      -0.30072656
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.47450937 magmom=72.0015011 free_energy=-551.47450937 stress="-0.03958125882422064 -0.0021918181081974257 0.0008994992320387254 -0.0021918181081974257 -0.038257207067092416 0.009487906909045819 0.0008994992320387254 0.009487906909045819 -0.039723559521309924" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53111000       0.96141000      15.79059000       0.39905219       2.08645870      -1.75648943
Cr       4.49963000       1.03701000      15.71465000       1.21434259      -0.68276452       1.02730460
Cr       3.08232000       3.73922000      15.85188000      -1.87428999      -2.80431168      -1.17326503
Cr      -1.37513000       2.57427000      25.32285000      -0.62293382      -0.91054373       1.66671880
Cr       1.55223000       2.73186000      25.52831000       0.36176917      -1.85105615      -1.03185055
Cr       2.99858000       0.07493000      25.47194000       1.18298660      -0.14912508      -0.94650288
Cr       1.19600000       4.16948000       6.32454000       0.38010680      -0.68448238      -0.85167225
Cr      -1.70791000       4.09874000       6.34934000      -0.85686404      -0.12211098      -1.16582892
Cr      -0.21082000       1.61275000       6.19821000      -0.58458478      -0.69078751      -0.22504202
Cr       0.34112000       0.21763000      18.21016000      -2.18016886      -0.99688423      -0.79143565
Cr       2.96340000       1.61113000      27.91102000       0.82483658       1.76691812      -1.85137495
Cr      -0.31275000       3.37714000       8.68877000      -1.28704470       0.71700162       1.05506049
Cr       2.74005000       4.78900000       3.90196000      -1.28592823       0.91021337       0.37215336
Cr       3.08945000       2.05622000      13.56243000      -1.88957673      -1.67721055      -2.25047497
Cr       0.23775000       3.37675000      22.78831000       0.38242403       1.15049994       3.79926968
Cr       0.40358000       1.69552000      20.65312000      -0.62050440       0.60648921      -1.36647397
Cr       1.84371000       4.26224000      20.53578000      -0.77218848       0.78849915       0.16474803
Cr      -1.15406000       4.27208000      20.49957000      -0.95664383       1.49152058       0.17510420
Cr       2.93776000       3.16725000       1.61102000       0.97956661      -0.80378306      -0.17368985
Cr       1.35815000       0.61963000       1.59700000       0.11991688       0.08862372       0.24521337
Cr       4.35440000       0.47145000       1.51683000      -0.44619349       1.76516721       0.75335498
Cr       2.62830000       0.15420000      11.21609000       1.09559600       0.79156740      -0.97572645
Cr       4.10647000       2.78526000      11.08743000       1.61206761      -2.33623924       0.73635633
Cr       1.24197000       2.66307000      11.09208000      -1.44824833       0.79088023       0.46385090
O        1.78346000       0.76100000      19.39076000      -0.75304908       0.72483169       0.27384569
O        4.88612000       0.84331000      19.57235000       1.30126025      -0.09160467      -0.81270092
O        3.21291000       3.62919000      19.23694000       0.99050442      -0.26400502       0.69987749
O        4.42051000       2.31346000       0.47057000      -1.39967689      -0.46302579       0.34459606
O        1.62824000       2.21987000       0.62452000      -1.51559525       1.48195120      -3.08394943
O        2.85796000       0.08794000       0.37021000      -0.30093424      -2.74530824      -0.56172448
O        0.86081000       4.31386000       9.86831000       1.63144290      -0.07863728       0.75375281
O       -1.69835000       4.20446000       9.92920000      -0.13258194       2.57493910      -1.14067428
O       -0.39904000       1.93095000       9.95539000       1.51015654      -0.61244041       0.35289729
O        1.44295000       1.21594000      12.50807000       0.51466089      -0.29183896      -1.02407870
O        4.23464000       0.81728000      12.42173000      -1.24682371       1.93850223      -1.28292808
O        2.70642000       3.42138000      12.19282000       0.04838860       1.19778675       0.92547623
O       -1.09863000       2.75303000      21.52732000      -0.10740283      -2.63946327       2.14753290
O        1.66947000       2.73878000      21.59729000       0.84601030      -1.34128355       2.32302275
O        0.31064000       4.98641000      21.73185000       0.25484807       0.62195930      -0.17623514
O        1.48191000       3.89153000       2.59139000      -0.61192560       1.12347664       1.29677314
O       -1.75026000       4.17580000       2.79859000       1.17618842      -1.32285077      -0.07150116
O       -0.19102000       1.30137000       2.62199000       0.29810424       0.06076459       2.00811111
O        1.06595000       0.58978000       5.14306000       0.45753720      -0.50148801       0.09613440
O        4.33303000       0.55464000       5.12705000      -0.12833873       0.44001307      -0.55718394
O        2.70421000       3.17797000       5.17124000       0.02214513       1.85085120       0.93029861
O       -1.37736000       2.74463000      14.74677000      -1.81195288      -0.17189062      -0.04202099
O        1.68877000       2.80160000      14.76667000       1.12919997      -0.78898628       0.64645163
O        3.02562000       0.40225000      14.61154000      -0.40909027      -0.36827052       0.79486893
O        1.40584000       4.25688000      24.39029000       0.57387249       0.16465953      -1.44080185
O       -1.18115000       4.14735000      24.30919000      -0.46891764       1.24608079      -1.84986479
O        0.08212000       1.86979000      24.19293000       0.69671646      -0.14854941      -0.28094089
O        0.24904000       0.08751000      21.64749000       0.79632082      -1.33398079       0.42433697
O        2.87205000       1.30298000       2.49185000       0.90165188       1.39029662       1.76768124
O       -0.33794000       3.63290000      12.08865000       0.93984821      -1.53322820       1.61058049
O        2.64254000       5.04791000       7.34269000       0.77189779      -0.60509775      -1.14051897
O        3.04343000       1.74909000      16.68544000      -0.05428189       1.49936362       2.38846292
O        0.05659000       3.46118000      26.49296000      -0.08701702       0.15640298      -0.55723121
O        2.90378000       4.94189000       0.56920000       0.30502089      -1.56597982      -1.82201630
O        2.79654000       1.91239000      10.01892000      -2.05827111      -1.21498789      -0.31967042
O        0.30135000       3.37857000      19.66489000       0.52209410       0.42009977      -2.93770817
O        0.03111000       1.71203000      16.85407000       1.05229997       0.61832375       1.21592845
O        1.72265000       4.62264000      17.02209000       0.07904988      -0.46329135      -0.13052242
O       -1.45614000       4.47120000      16.83292000       1.59002041       0.62044261       1.85718469
O        3.07749000       3.33595000      26.58651000      -0.27387015      -1.22241933      -0.22262347
O        1.61355000       0.93702000      26.42445000       0.78069212       1.54310825       0.97872572
O        4.41667000       1.04667000      26.67414000      -0.90092342      -0.63474618      -1.34225175
O       -0.25435000       4.89990000       7.39203000      -0.52288113       0.72031018      -0.10516731
O        4.44354000       2.42523000       7.35505000      -2.43613069       0.85651153       0.66714666
O        0.89718000       2.60986000       7.45393000       3.08313404      -1.18766381      -0.38517828
Zn       0.15479000       0.05939000      27.16105000      -1.23364044      -0.36325283       0.97787683
Zn       2.66470000       1.71414000       7.97496000       0.03771167      -0.03865103       0.63540272
Zn       0.12479000       3.57663000      17.67723000       0.59363287      -0.41446214      -0.38656211
Zn      -2.86956000       5.00037000      23.61971000       0.75094582       0.47565210       0.20633066
Zn       2.63770000       1.42073000       4.38293000       0.55911029      -0.22979881       0.29940342
Zn       0.15816000       3.63307000      14.19773000      -0.29951990       0.80844496      -1.91609002
Zn      -0.08154000       0.21269000      13.37550000       0.28421163      -0.22696288      -0.29352877
Zn       3.68556000       1.67854000      22.82030000      -1.45776286      -0.38352208       0.00539456
Zn      -0.45353000       3.08391000       3.86249000       0.86969051      -0.14625406      -0.54105161
Zn       5.48888000       0.09812000       9.20923000       0.03480860      -0.10832292       1.71729112
Zn       3.41577000       1.51799000      18.74289000      -1.17167994       1.91741388      -1.15920228
Zn       0.01905000       3.27461000      28.37127000       0.25159483      -0.19446181       1.33923444
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.89537155 magmom=72.0219943 free_energy=-552.89729592 stress="-0.03168701227499525 0.0014676764156163126 0.00812063329416422 0.0014676764156163126 -0.015146374697368199 0.0026997477455639077 0.00812063329416422 0.0026997477455639077 -0.036215780649094344" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57093000       0.97073000      15.71545000      -0.00133771       1.64632245       0.65149016
Cr       4.54815000       1.02937000      15.74750000      -0.08146686       0.09323101       1.16943782
Cr       3.05324000       3.67431000      15.88643000      -0.61115520      -0.94696169       0.65796983
Cr      -1.34143000       2.47591000      25.39099000       1.17723414       0.18427312      -1.21320714
Cr       1.67386000       2.73592000      25.47106000      -0.27549737      -2.85340732      -1.69120458
Cr       2.97270000       0.01336000      25.42883000       1.11845357      -0.36650835      -1.19503191
Cr       1.19719000       4.08317000       6.38291000       0.48523766       3.13896145      -1.57411484
Cr      -1.66634000       4.14658000       6.26092000      -1.26039160       0.12632804       0.52712343
Cr      -0.22083000       1.69849000       6.27759000      -0.67273764      -1.48577507      -0.68646934
Cr       0.34584000       0.18488000      18.18790000      -2.64069580       0.80836782       0.80675501
Cr       2.99058000       1.58312000      27.96467000      -0.16720702      -0.39938798      -3.64710753
Cr      -0.39721000       3.40258000       8.70114000       1.63942685      -0.19296254      -1.03278878
Cr       2.71759000       4.83452000       3.96526000      -0.84208704       1.75822842      -0.08255287
Cr       3.02986000       2.03384000      13.44525000      -1.10610786      -1.61423925      -0.32212347
Cr       0.26811000       3.39602000      22.82948000      -0.15476887       0.02160357       3.17617716
Cr       0.35475000       1.77117000      20.57350000      -0.06151073       1.12514916       1.14974184
Cr       1.81924000       4.24602000      20.58444000      -0.88943996       0.62592339      -0.65440714
Cr      -1.14838000       4.36753000      20.44639000      -0.70069888      -0.00683198       1.84403380
Cr       2.83825000       3.13445000       1.70420000       0.68404479       1.97661683      -1.18070905
Cr       1.30403000       0.68348000       1.68015000       0.12180634      -1.30922358      -0.87167324
Cr       4.34418000       0.61907000       1.59874000      -1.22043837       0.17765106      -1.39182038
Cr       2.65805000       0.06012000      11.17148000       0.23211233       0.71654931      -0.64487382
Cr       4.11985000       2.66870000      11.02065000       1.73476565      -0.27664925       0.64032276
Cr       1.30306000       2.76875000      11.10713000      -0.96676438      -1.63754505      -0.19842770
O        1.66762000       0.96259000      19.36911000       0.37429470      -0.75941892       0.16350516
O        4.92706000       1.07915000      19.47653000      -0.92456512      -2.29829061      -1.30855941
O        3.24745000       3.63421000      19.33244000       0.28793987       0.50607495      -0.31528535
O        4.32438000       2.35266000       0.45496000      -0.31647596      -0.34206060       1.47851507
O        1.53099000       2.29637000       0.46304000       2.32469726      -1.64564044       1.78933828
O       -0.24513000       5.04570000       0.48826000       0.98370207       0.65374266      -0.31387158
O        0.99472000       4.27056000       9.73071000      -0.53583479      -0.35604927       2.20402409
O       -1.67950000       4.29363000       9.74549000      -0.49246938      -0.00056267       2.15758901
O       -0.21484000       1.95860000       9.99775000      -0.46860799      -0.80709698      -0.26760698
O        1.52933000       1.16531000      12.38923000      -0.43230577      -0.17536289      -0.38828164
O        4.11171000       0.95644000      12.23415000       0.67760297       0.53879458      -0.60482122
O        2.72851000       3.55070000      12.23013000       0.79282768       0.20150829      -0.14106636
O       -1.12868000       2.75006000      21.64058000       1.35027658       0.02089066      -1.06321796
O        1.77231000       2.62188000      21.79081000      -0.76167895       0.51551229      -0.99367639
O        0.31644000       5.05404000      21.75634000       0.18179213      -0.73289375      -1.10706222
O        1.37090000       4.17673000       2.64111000       0.56244476      -2.27458297       1.32136959
O       -1.69247000       4.12925000       2.84908000      -0.77252689      -0.26445892      -0.37986517
O       -0.28926000       1.26216000       2.86636000       1.82533759       2.16254436      -0.56819428
O        1.12291000       0.65870000       5.20925000      -0.66744503      -0.29200811      -0.13761798
O        4.37510000       0.61939000       5.23035000      -1.37207660       0.52018614      -0.83992302
O        2.53527000       3.42180000       5.12877000       1.39172999      -2.64002884       1.45758861
O        4.29207000       2.74550000      14.85540000       2.26344496      -0.09131261      -2.33884540
O        1.77037000       2.68167000      14.71912000      -1.62155842       1.15156949       0.53838636
O        3.00179000       0.37994000      14.60902000       1.11475355      -0.55664115       0.05328694
O        1.42028000       4.20713000      24.23618000       0.34759932       0.37870449       0.18689005
O       -1.09325000       4.13324000      24.16514000      -1.43764308      -0.15726913       0.02055760
O        0.18789000       1.80332000      24.19838000       0.02672367       0.18013550      -0.00520986
O        0.20464000       0.02147000      21.54364000       1.65344471       0.57155004       0.83295386
O        2.88234000       1.39873000       2.63787000      -0.54654080       1.01167303      -1.14790998
O       -0.20936000       3.37390000      12.21539000      -0.50270687       1.36522849      -0.89928519
O        5.66190000       0.01999000       7.20003000       0.23576527      -1.41399563       1.38986297
O        3.08976000       1.80069000      16.81287000      -0.60263512       0.67877139      -1.41035214
O        0.26374000       3.38904000      26.50284000      -1.82210104       0.55099670       0.25715501
O        2.81578000       4.89339000       0.51972000       0.52375011      -0.04113830       0.93148840
O        2.73284000       1.75660000      10.01569000      -0.53702069       0.17026505       0.41455902
O        0.25295000       3.52982000      19.41765000       1.01697304      -0.26727128       2.31490311
O        0.15462000       1.77036000      16.84636000      -0.07505607      -0.91252006      -0.15075920
O        1.76037000       4.60820000      17.01358000       0.18531804      -0.01052550      -0.47337907
O       -1.39187000       4.59582000      16.93172000       0.43811665      -1.50697071      -0.88434258
O        3.16974000       3.21728000      26.54026000       0.00229761       0.64464135       1.21499886
O        1.70252000       0.97595000      26.50690000      -0.19651612       0.37852172       0.62212253
O        4.32369000       0.87849000      26.49570000       0.81540333       0.05295942       1.44605411
O       -0.28744000       4.95279000       7.46142000      -0.07388193      -1.00950227      -1.00660547
O        4.26620000       2.49734000       7.40629000       0.95994657       1.00392327      -0.40029362
O        1.12162000       2.54467000       7.42078000      -1.74810263      -0.07227049       0.83697967
Zn       0.19877000       0.02787000      27.20979000      -0.87911032      -0.47715271      -0.25227492
Zn       2.66147000       1.73429000       8.01750000       0.32328468      -1.21633987       0.93753106
Zn       0.22828000       3.51950000      17.61160000      -0.15470678       0.40824950      -1.49086765
Zn       3.04771000       4.90897000      23.59364000       1.32844670       1.12522232      -0.21650657
Zn       2.59328000       1.41942000       4.41268000       1.49016482       0.70996208       2.08012099
Zn       0.10635000       3.60906000      14.14460000      -0.21199101      -0.45845842      -0.28412416
Zn       5.75439000       0.19115000      13.48330000       0.41417932       0.13697932      -1.34564653
Zn       3.61971000       1.67881000      22.67854000      -1.80365289      -0.28785028       0.97447274
Zn      -0.44193000       3.07135000       3.96108000       0.62294548       0.16923737      -0.55930930
Zn       5.45056000       0.05686000       9.14755000       1.42932313       1.01740239       0.40695018
Zn       3.30769000       1.67192000      18.62027000       0.40146702       0.75337970       2.07099175
Zn       0.13812000       3.15649000      28.46209000      -2.92955943       2.17933331      -1.04397385
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.36767736 magmom=71.9999748 free_energy=-552.36767736 stress="-0.04257315562746227 0.0028183118523757707 0.0045802144312503 0.0028183118523757707 -0.03580273422748974 0.003812488286684654 0.0045802144312503 0.003812488286684654 -0.04612584764412511" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60199000       1.05483000      15.70009000       0.53013220      -2.19715937       0.18163722
Cr       4.60300000       1.03091000      15.83632000      -0.86532318       1.35055164      -2.54032167
Cr       3.01523000       3.57066000      15.94595000       2.57298907       2.12861604      -3.81194606
Cr      -1.26304000       2.38746000      25.41080000       0.27445255       0.81412134      -0.66877536
Cr       1.76932000       2.58039000      25.36144000      -0.83691897       0.09637626       0.34833884
Cr       0.06180000       5.06419000      25.35191000       0.23846445       0.46370175       0.10328602
Cr       1.22299000       4.15776000       6.35087000      -0.42786195      -0.30481135      -0.30223407
Cr      -1.69161000       4.18240000       6.20895000      -0.64670069      -0.95391599      -0.13638348
Cr      -0.27410000       1.68595000       6.31857000      -0.68797128      -0.64836445      -0.06322905
Cr       0.23761000       0.16008000      18.19679000       2.15860654      -0.31120300      -1.53256603
Cr       3.04167000       1.53956000      27.89135000       0.59128724       0.25966524      -0.51821856
Cr      -0.39433000       3.42813000       8.68931000       1.68843407      -0.17291017       1.02260730
Cr       2.64141000       4.95872000       4.02995000       0.95356245      -0.33478241      -0.29246274
Cr       2.90124000       1.92494000      13.31377000       0.67806370       0.62889680       1.76847071
Cr       0.28388000       3.41026000      23.02219000      -0.67862055      -0.98296338      -3.19801158
Cr       0.29228000       1.87054000      20.51697000       0.67417607      -1.02119245       0.42189527
Cr       1.78144000       4.28618000      20.58621000       1.82474935       0.75013611       0.08714387
Cr      -1.19147000       4.46682000      20.45849000       2.35914621      -1.33808441       1.29554294
Cr       2.79105000       3.20515000       1.69254000      -0.17672470       2.48811230       0.22370183
Cr       1.27798000       0.65982000       1.70496000       1.04576033      -0.83998757       0.29871423
Cr       4.23550000       0.75104000       1.58972000       1.42371012      -3.14023058       2.74662386
Cr       2.69945000       0.02744000      11.10087000      -0.79572165       0.46909348      -0.17886974
Cr       4.23398000       2.56589000      10.98500000      -0.28720096       3.67626616      -1.00297321
Cr       1.30290000       2.75852000      11.12809000       0.90047046      -2.58661989       0.05326593
O        1.61418000       1.02876000      19.39099000       0.59541797      -0.76379153      -0.83590995
O        4.86949000       0.92068000      19.27207000      -1.64610152       0.75279942       1.87391616
O        3.31110000       3.70747000      19.39455000      -0.85724862      -0.71362192      -0.83326268
O        4.19860000       2.34570000       0.64425000       1.80545826       0.73719334      -2.04732498
O        1.69237000       2.16018000       0.50197000      -2.42286312       0.91738998      -1.01507170
O       -0.20634000       4.98700000       0.52509000       0.90928377       0.72352352      -0.53579493
O        1.02632000       4.18901000       9.96751000       0.31653315       1.56690137      -2.25173148
O       -1.65565000       4.32939000       9.91042000       0.03370175      -0.91661364      -0.40080845
O       -0.14307000       1.88538000       9.97862000      -0.98332109      -0.18275570      -1.00766107
O        1.56330000       1.10852000      12.19744000      -1.89757408      -0.11523926       1.90877396
O        4.04571000       1.15275000      11.99755000       1.39018098      -3.86005930       3.28500549
O        2.86523000       3.60249000      12.23359000      -0.82349078      -0.84934873      -0.00167417
O       -0.91360000       2.71665000      21.64217000      -2.67630671       0.21442514       0.85132383
O        1.67407000       2.65148000      21.80888000       0.64048784       0.24069184      -0.50942363
O        0.35457000       4.95447000      21.63120000      -0.49317200       1.48561051       1.75238028
O        1.42630000       4.15965000       2.86723000      -1.24620069      -0.11578289      -1.51342144
O       -1.81802000       4.08679000       2.81794000       0.44105301       1.00040450       1.13389267
O       -0.05894000       1.48523000       2.97221000      -0.88771978      -0.75314123      -1.87740809
O        1.01840000       0.66986000       5.24333000       0.65148047       1.14417161      -0.91875362
O        4.23838000       0.73741000       5.19636000       0.73844574      -0.74099348       0.62359905
O        2.63115000       3.34929000       5.30392000       0.26196957       0.05866470      -1.17181114
O        4.32997000       2.70461000      14.61545000      -0.33832849      -0.58425104       0.81278931
O        1.67726000       2.72138000      14.76010000      -0.36083423       0.42499296      -0.69997974
O        3.13742000       0.33724000      14.66640000      -0.21431099       0.03387307      -0.60252890
O        1.48573000       4.20780000      24.18947000       0.85278920       0.53955321       1.87560679
O       -1.19432000       4.09420000      24.07863000       0.67905142      -0.42491659       2.06479750
O        0.28308000       1.81647000      24.23113000      -0.22718120      -0.56026892       0.23615885
O        0.38760000       0.04374000      21.54359000      -1.57964730       0.93076476       0.90972154
O        2.81668000       1.61737000       2.60718000      -0.38951542      -2.37509715       1.72798014
O       -0.15857000       3.39305000      12.13046000      -0.92314295       1.01197215       0.36679074
O        2.77866000       4.99115000       7.23853000      -1.24811731       0.82896030       0.96690424
O        3.03104000       1.95326000      16.71097000       0.48174937      -2.53742945       1.99206389
O        0.17764000       3.39201000      26.41602000      -0.01615057      -0.58262199       0.37491379
O        2.83144000       4.85524000       0.61911000      -0.54495255       1.51975946      -0.71661009
O        2.58564000       1.66043000      10.07079000       1.61572889       1.39743808      -1.73043228
O        0.37402000       3.60228000      19.53227000      -0.93926965      -0.95040323      -1.70812707
O        0.23963000       1.66080000      16.84910000      -0.77345662       0.76454830       1.11175010
O        1.80173000       4.60240000      16.93220000      -0.54678663      -0.61776134       1.37593855
O       -1.25991000       4.48131000      16.91357000      -1.67663486       0.27081247      -0.34998686
O        3.24105000       3.15154000      26.61155000      -0.23761034       0.54108848      -0.16958702
O        1.78849000       1.07917000      26.58475000      -1.67017663      -2.40993851      -1.25910845
O        4.35129000       0.77517000      26.51006000       1.12345527       0.22572404       0.60318097
O       -0.32253000       4.82150000       7.33339000       1.14324503       2.29972695       0.92928376
O        4.25801000       2.72447000       7.38808000      -0.37454928      -2.69044204       0.75868138
O        1.00918000       2.51473000       7.47356000       0.36704716       0.77091284       0.10787073
Zn      -2.76337000       5.08324000      27.25722000      -0.11132981      -0.35623967       0.03633616
Zn       2.67971000       1.69681000       8.10383000      -0.18923999      -0.37961789       0.05697527
Zn       0.31477000       3.48593000      17.49541000      -0.63059305       0.34671787       0.72617182
Zn      -2.77700000       4.88854000      23.55510000       0.00627928       1.71262242      -1.08377730
Zn       2.62507000       1.45389000       4.52972000      -0.34821890       0.93773359       0.09550798
Zn       0.04377000       3.57100000      14.07160000      -0.11954887       0.23508685      -0.28589677
Zn       5.72027000       0.17551000      13.52818000       0.75178434      -0.26220449      -1.44081702
Zn       3.47332000       1.66748000      22.59352000      -0.75044850       0.18403002      -0.19743913
Zn      -0.39949000       3.07561000       4.03539000       0.40111793       1.13721836      -0.69861978
Zn       5.47955000       0.06173000       9.13025000       0.92009386       0.03351848       1.60586704
Zn       3.21758000       1.85702000      18.59569000       0.30924836      -0.09292486       1.57792849
Zn       0.13171000       3.14041000      28.51601000      -0.80252094       0.55332216      -0.18437923
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.68360545 magmom=71.9994285 free_energy=-553.68360545 stress="-0.02556344648790921 -0.007484863375432423 -0.0030706690673987396 -0.007484863375432423 -0.027551757145200757 -0.0018781446820123268 -0.0030706690673987396 -0.0018781446820123268 -0.031668218498073844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.63323000       1.01607000      15.72947000      -0.46741064      -0.72773152      -0.47855069
Cr       4.61895000       1.08328000      15.80971000      -0.52168149      -1.27443343      -1.07663145
Cr       3.11200000       3.58409000      15.85147000      -1.51291280      -0.88547872      -2.71982578
Cr      -1.18166000       2.34068000      25.41217000      -1.40379884       0.22108090       0.64075352
Cr       1.81428000       2.41406000      25.29805000      -0.39409648       1.44177809       1.90202740
Cr       0.12646000       5.03483000      25.32261000       0.43167354       0.10208339       2.22388487
Cr       1.21594000       4.21652000       6.30756000      -0.72243857      -2.08222942       0.63964464
Cr      -1.73707000       4.16582000       6.19193000       1.24281620       0.67409287       2.20934777
Cr      -0.35847000       1.63978000       6.36344000       0.86357144       0.49217031       0.52513357
Cr       0.22694000       0.10913000      18.16707000      -0.00190522       0.87822377       0.35349682
Cr       3.12319000       1.48925000      27.81742000      -1.18808043       1.31105216       0.09365252
Cr      -0.29480000       3.45241000       8.71166000      -0.17397692       0.59077563      -1.15314135
Cr       2.60697000       5.06642000       4.03656000       0.88452661      -0.52361546      -1.85244238
Cr       2.82190000       1.83473000      13.29212000       1.73052562      -0.31718144       2.25955168
Cr       0.26801000       3.37339000      23.05616000       0.29810673       0.41475682      -0.85893425
Cr       0.25878000       1.90343000      20.48692000      -0.24073271      -1.15894990       0.71432551
Cr       1.82371000       4.37879000      20.57216000      -1.24306931       0.22611296       0.21368894
Cr      -1.13939000       4.49729000      20.52583000       0.45877909      -1.45620531       0.46711705
Cr       2.74602000       3.37505000       1.66995000      -0.04359644      -2.94169650       0.01835557
Cr       1.32216000       0.59496000       1.72253000       0.95004971       1.77938576      -1.08693440
Cr       4.17608000       0.74099000       1.65094000       2.47525930       0.70548234       1.70491944
Cr       2.69564000       0.06302000      11.02992000       0.59871562       1.25503701       0.81425254
Cr       4.32063000       2.59609000      10.96265000      -2.20128070      -1.10138592       2.87830278
Cr       1.32771000       2.61658000      11.13509000      -1.13097086       1.57699953      -1.45773964
O        1.64477000       0.93022000      19.30340000      -0.75145523       0.09425888       0.45009076
O        4.61474000       0.83217000      19.34307000       2.06646289       0.73248004       0.34929269
O        3.25122000       3.70411000      19.35481000       0.46236806       1.16518701       1.06724806
O        4.35264000       2.45380000       0.58884000      -2.27484823      -0.85571450      -0.01128265
O        1.59480000       2.12405000       0.44115000       0.55742484       1.10762823      -0.26718146
O       -0.02001000       5.08982000       0.47865000      -1.03666529      -0.91676160      -0.56909459
O        1.05988000       4.27853000       9.90659000       0.29718580      -0.70039273      -0.11729767
O       -1.58746000       4.19885000      10.00242000      -0.96361465       1.62648040      -1.82114930
O       -0.25429000       1.86307000       9.82058000       1.33155501       0.20219000       0.73674943
O        1.34430000       1.05150000      12.28790000       0.32272738      -0.44871008      -0.14742709
O        4.18376000       0.88411000      12.20173000      -0.43439343       0.85619998      -0.56359294
O        2.83212000       3.39716000      12.19631000      -0.42193572      -0.00424772      -0.41815867
O       -1.05495000       2.74913000      21.71874000      -0.45057015       0.19771498      -0.35583077
O        1.61112000       2.77814000      21.68215000       0.82170698      -0.85659442       0.41582671
O        0.32310000       5.01266000      21.74991000      -0.07190886      -0.09416537       0.05250141
O        1.37019000       4.15110000       2.85708000      -0.87170725       0.52409042      -0.34862866
O       -1.94298000       4.23250000       2.95289000       1.25449887      -0.95433522       0.00935849
O       -0.02110000       1.53588000       2.73224000      -2.24609710      -0.29821710       1.56268724
O        0.97220000       0.81921000       5.18002000       0.33768440      -0.95856328       0.95768714
O        4.27131000       0.68983000       5.27683000      -0.66473793       0.57166012      -0.75321303
O        2.76630000       3.31979000       5.31700000      -1.71501472       1.20018912      -0.92284819
O        4.30985000       2.53998000      14.50739000       0.09896788       1.12202388       0.92305984
O        1.57980000       2.78269000      14.72689000       0.93700539      -1.06813490       0.12012824
O        3.21989000       0.33638000      14.62498000      -1.66608386      -0.66213419       0.14355421
O        1.61936000       4.22348000      24.42936000       0.53635312      -0.88303549      -2.11379426
O       -1.14460000       3.96986000      24.33574000      -0.62986702       0.87963609      -1.96218244
O        0.32069000       1.78870000      24.27332000      -0.31689627      -0.86571332      -1.65873254
O        0.34624000       0.21399000      21.60035000      -0.23493900      -0.47805636      -0.75556361
O        2.71309000       1.50199000       2.72066000       0.89071779       0.82591384      -0.10798590
O       -0.23456000       3.57219000      12.00668000       0.84856120      -1.65606197       1.39711606
O        2.64927000       4.96114000       7.35796000       0.81425848       0.57629879      -1.09688936
O        3.05969000       1.78948000      16.74956000       0.43318462       1.09316307       0.66570492
O        0.08407000       3.32169000      26.36077000       1.90407106       0.18103403       1.51604734
O        2.75459000       5.06786000       0.67941000       0.20335023      -1.00618371      -1.11544947
O        2.73693000       1.80817000       9.98446000      -0.04202740      -0.23333286       1.79655074
O        0.35259000       3.51874000      19.48648000      -0.60204920       0.81145608      -0.70948830
O        0.19534000       1.63994000      16.96066000       0.10203605       0.49913781      -0.62493101
O        1.78942000       4.55215000      16.98363000       0.82517923       0.15127530      -0.99881946
O       -1.41883000       4.41602000      16.78316000       1.35670691       0.56703318       1.17588575
O        3.25062000       3.12661000      26.62531000      -0.48632689      -0.96237917      -0.69758033
O        1.66499000       0.82209000      26.43335000       1.62860179      -0.00312690       0.29886635
O        4.53579000       0.77231000      26.60041000      -1.46717637       0.26966708      -0.61874904
O       -0.22011000       4.98941000       7.33728000      -1.12973336      -0.17217054       0.35976025
O        4.27967000       2.58358000       7.45823000      -0.63652645       0.68658789       0.07663485
O        0.87145000       2.65804000       7.46227000       2.54833269      -1.10710072      -0.36461928
Zn      -2.77947000       5.00761000      27.30020000       0.28833106      -0.72578506       0.13678185
Zn       2.69934000       1.62964000       8.18167000      -0.61556772       0.45796796      -2.05962680
Zn       0.35593000       3.47412000      17.41356000      -1.39388659       0.39220004       1.09601536
Zn      -2.68891000       4.95414000      23.47663000       0.03356927       0.32553624       1.16748349
Zn       2.64762000       1.53260000       4.65559000       0.01050569       0.10453847      -0.75987689
Zn      -0.02664000       3.54811000      13.98982000      -0.06301954       0.64229287      -0.36413336
Zn       5.72377000       0.15138000      13.50650000       0.13174889      -0.13286941      -1.29506415
Zn       3.28446000       1.66703000      22.52373000      -0.28574061       0.85164120       0.86549228
Zn      -0.33388000       3.13203000       4.07316000       0.44447410       0.41094158      -1.59796975
Zn       5.56036000       0.07164000       9.19745000       0.62301809      -0.65984920       1.41540677
Zn       3.15174000       2.02373000      18.67130000       0.26200859      -2.06619171       0.31916203
Zn       0.06080000       3.16956000      28.54299000       0.41212003       0.44327904      -0.85218590
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.11036296 magmom=72.2491152 free_energy=-553.12296873 stress="-0.024684820141896806 -0.0018732429128203146 -0.0028114348639982356 -0.0018732429128203146 -0.04102116332042286 -0.0010454980981832087 -0.0028114348639982356 -0.0010454980981832087 -0.035903573116225565" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.63300000       0.91995000      15.77380000      -0.48841823       1.61192913       0.99116259
Cr       4.60901000       1.05494000      15.72939000      -0.45600947      -1.77742810       0.97721135
Cr       3.14937000       3.61199000      15.62151000      -1.73548669      -0.19910032       1.68431772
Cr      -1.16533000       2.32743000      25.46390000       0.36052220       1.33162747      -1.66767256
Cr       1.82197000       2.31015000      25.35507000      -1.92827261       0.67253512      -1.27881767
Cr       0.23808000       4.99529000      25.43947000       1.90307785      -2.83470413      -1.96411671
Cr       1.15343000       4.16625000       6.30218000       0.61742607       0.62200891      -0.67045112
Cr      -1.72872000       4.17255000       6.29593000      -1.13779930       0.76259892      -0.03135186
Cr      -0.39335000       1.63356000       6.43785000       1.86297247       0.30949737      -1.16264846
Cr       0.22034000       0.10337000      18.16167000       0.09895624       1.08181826      -0.28167702
Cr       3.15882000       1.50702000      27.76757000      -2.77731440      -0.34316043       0.67877873
Cr      -0.18540000       3.49550000       8.66389000      -1.26833394      -0.82988520      -0.92580310
Cr       5.57261000       0.03178000       3.94128000       0.15635266      -1.85001902       2.00818586
Cr       2.84497000       1.72650000      13.40531000      -0.28560669      -0.20194114      -0.14685056
Cr       0.26221000       3.34745000      23.00650000       0.43993498       0.41997062       0.34817213
Cr       0.22383000       1.86272000      20.46279000       0.25430056       1.51693436       0.61069174
Cr       1.81511000       4.49051000      20.55528000      -2.49374871      -1.96152493       1.51728501
Cr      -1.06554000       4.45025000      20.60174000      -2.27549424      -0.11265207      -0.45083604
Cr       2.69400000       3.39042000       1.64671000       0.52230798      -2.08793030      -0.17585016
Cr       1.40895000       0.63966000       1.68686000      -1.05421086       0.90998233      -1.34102901
Cr       4.21919000       0.76467000       1.73678000      -1.40021707       0.45060419      -3.34013086
Cr       2.72307000       0.14383000      11.01682000       0.57968597      -2.03406934       1.00442140
Cr       4.29088000       2.61207000      11.09169000       0.39960755       0.08643277       0.02218884
Cr       1.28967000       2.53900000      11.06955000      -1.41869094       1.28515899      -0.61576882
O        1.57952000       0.85670000      19.33001000       0.66496065       1.47345351       0.22770822
O        4.70826000       0.93620000      19.50485000      -0.00182160       0.90151075      -2.02765710
O        3.26229000       3.84554000      19.48967000       0.14903019      -1.41920747      -0.75756177
O        4.13137000       2.42271000       0.49462000       1.07845457       0.70303695       1.05163810
O        1.59213000       2.26785000       0.34529000       0.39544073      -0.40100223       1.07686749
O       -0.01176000       5.08296000       0.38959000      -0.99942645       0.38355636       1.10636200
O        1.09442000       4.26755000       9.80572000       0.49768033       0.37896877       1.49060535
O       -1.59606000       4.26173000       9.83092000       1.02755511      -0.01265035       1.19018167
O       -0.17529000       1.95244000       9.81569000       0.05589048      -0.74499113       0.98424322
O        1.25757000       0.97884000      12.32975000       1.46348034      -0.18753331      -0.95827972
O        4.18046000       0.75003000      12.33155000      -0.34119656       1.31677615      -1.59709912
O        2.71203000       3.11558000      12.10815000       1.33829569       2.55152024       1.73368277
O       -1.26037000       2.85657000      21.77368000       1.25473827      -0.72393249      -0.59214387
O        1.63382000       2.78809000      21.59850000      -0.21560667      -0.50403322       0.17408903
O        0.25874000       5.00941000      21.88794000       0.78168190       0.23846095      -0.74306809
O        1.23851000       4.25493000       2.73402000       0.62904839      -1.24820300       1.05466511
O       -1.87161000       4.26927000       3.01274000       0.64572733      -0.64611908      -1.79604896
O       -0.31322000       1.43345000       2.72162000       2.71054189       2.71823194       1.23103839
O        0.96254000       0.77672000       5.28723000       0.91862889       0.03693509      -0.58939413
O        4.26983000       0.69270000       5.25742000      -1.11124789       0.89235623      -0.28941476
O        2.63717000       3.57322000       5.17862000       0.20634562      -1.35860692       0.18946665
O        4.26027000       2.54080000      14.57433000       1.73400649       0.21670997      -1.60637692
O        1.67649000       2.61587000      14.70028000      -1.12572732       0.53225815      -0.30581713
O        2.99474000       0.25880000      14.63812000       0.97135435      -1.10527466       0.32968105
O        1.76486000       4.05351000      24.35305000      -0.76021128      -0.00391813      -0.92132947
O       -1.07215000       3.97171000      24.32254000      -0.05403504       0.42239441      -0.71078302
O        0.30707000       1.71186000      24.10144000      -0.10764331       0.67586488       1.03918620
O        0.23113000       0.28388000      21.51388000       1.17868850      -1.07791438       1.33863521
O        2.75593000       1.49050000       2.76113000      -0.35316438       1.51302059      -0.00242617
O       -0.18337000       3.50991000      12.02007000       0.22597293       0.02542986      -0.20516535
O        2.63321000       5.04442000       7.26960000       0.32177293      -0.68684390       1.85346368
O        3.15654000       1.71474000      16.85934000      -0.51537190       0.94620295      -0.71749692
O        0.28451000       3.23598000      26.49044000      -0.05321857      -0.25266395      -0.21725642
O        2.73412000       5.10455000       0.60686000       1.05866816      -1.01030000       0.30213806
O        2.87942000       1.88931000      10.13180000      -1.69797730      -2.02981300      -2.33670803
O        0.19570000       3.52285000      19.36917000       0.85634998       0.48152125       0.73060426
O        0.14703000       1.67271000      16.91579000       0.28462275      -0.46132739      -0.75679746
O        1.91261000       4.51788000      16.84125000      -1.01936398      -0.29732695      -0.18826658
O       -1.40163000       4.43509000      16.80637000       0.12123387      -0.64440669       0.48949289
O        3.16944000       2.95077000      26.48748000       0.99449714       1.64991454       1.12473810
O        1.76159000       0.56838000      26.31335000      -1.42148900       1.68030841       2.55091575
O        4.49811000       0.80264000      26.57024000       0.92280202      -1.16978044       0.69655857
O       -0.28122000       5.02903000       7.37317000      -0.18000539      -1.47731380      -0.08285377
O        4.25858000       2.55661000       7.51473000       0.01800270       1.22904654       0.06424204
O        1.13401000       2.62744000       7.42031000      -0.80575920      -0.87413787       0.70451492
Zn      -2.78323000       4.89219000      27.34171000       0.21070970      -0.21324825      -1.18399819
Zn       2.68380000       1.59804000       8.18366000      -0.15681550       1.26129074       0.04221970
Zn       0.32804000       3.49356000      17.38555000      -0.42312182       1.00650359       0.67900317
Zn      -2.59866000       5.04357000      23.44039000      -0.20219413      -1.16114924       0.87803785
Zn       2.66151000       1.62902000       4.74952000      -0.43939381       0.27157855      -0.58425731
Zn      -0.09572000       3.55637000      13.89524000       0.97878355      -0.17459628       0.98523922
Zn       5.74025000       0.11546000      13.43108000       0.12855325      -0.24597467      -0.48064338
Zn       3.06941000       1.71715000      22.49800000       0.45539001       0.84003338       0.73358015
Zn      -0.24451000       3.22115000       4.04569000      -0.25467683       0.45855024      -1.14054900
Zn       5.68033000       0.05323000       9.34068000      -0.43771254       0.26581660      -0.70528837
Zn       3.09817000       2.09526000      18.77747000       0.25358095      -1.49465920       0.30394932
Zn      -0.00549000       3.22372000      28.52685000      -0.33085058      -0.27300707      -0.64947858
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.81282637 magmom=72.0021092 free_energy=-551.81282781 stress="-0.04037806210634728 0.004191902523609712 0.0012046597890289226 0.004191902523609712 -0.04043929118604201 -0.0032506097532489973 0.0012046597890289226 -0.0032506097532489973 -0.04185843969968383" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59809000       0.89298000      15.90479000       1.74801585       1.12413193      -1.58739426
Cr       4.57494000       0.92410000      15.70658000      -1.27859814       0.76432707      -0.97064689
Cr       3.08430000       3.61469000      15.45854000       0.59701926      -1.78902965       1.98198539
Cr      -1.15575000       2.37345000      25.46192000       0.08260327      -0.14773009      -1.39031199
Cr       1.75246000       2.23484000      25.38718000       0.86306682       0.25930453      -1.73356333
Cr       0.41408000       4.83246000      25.52228000      -1.08179345      -0.10650226      -2.11623189
Cr       1.11417000       4.12642000       6.27052000       0.63668674       1.66009761      -0.62787390
Cr      -1.78533000       4.22282000       6.40540000      -1.75629533      -0.21364846      -2.51530410
Cr      -0.32110000       1.65105000       6.45981000       0.18232484      -0.60010112      -1.62495855
Cr       0.21452000       0.17698000      18.16228000       0.25943449      -0.54443505      -0.28279265
Cr       3.04388000       1.50549000      27.73010000      -0.45160710       0.16685203       2.30978368
Cr      -0.13510000       3.48090000       8.60588000      -0.26967396      -1.99858173       3.47746388
Cr       5.61609000       0.01283000       3.92567000       0.65328577       0.15240620      -0.12057685
Cr       2.86823000       1.60423000      13.51066000      -0.52779956       1.02520639      -2.52404339
Cr       0.27953000       3.34732000      22.95810000       0.21286533       0.13320215      -0.64579622
Cr       0.21598000       1.88198000      20.46261000      -0.18837764       0.85649062       1.30168710
Cr       1.69076000       4.52071000      20.58230000       0.89159792      -0.90398513      -0.77412275
Cr      -1.12278000       4.39825000      20.64429000      -1.92247621       1.48701551      -0.94785705
Cr       2.67777000       3.28845000       1.62704000       1.81802101       2.37675989       1.72679139
Cr       1.43772000       0.75537000       1.58268000      -2.88236034      -0.51440546       2.00574627
Cr       4.22279000       0.83506000       1.66159000       1.09412307      -0.38290588       0.57426570
Cr       2.79572000       0.09930000      11.05886000      -0.03275744      -2.32229977      -0.61383187
Cr       4.23812000       2.62073000      11.22581000       0.27829865      -0.21060223      -3.24440464
Cr       1.22435000       2.55474000      10.99340000       3.90359012       0.22704420       1.66759269
O        1.59123000       1.00539000      19.43494000      -0.13908818      -0.80002931      -0.92234382
O        4.79750000       1.12959000      19.33957000      -0.96800729      -1.79103083      -0.36687734
O        3.27734000       3.83257000      19.52584000      -1.12661452       0.32568612      -1.21306808
O        4.02803000       2.44956000       0.54049000       2.88271263      -0.36910719      -1.55891910
O        1.65612000       2.32754000       0.41301000      -2.69421838      -0.38330075      -2.03904504
O        2.76017000       0.03450000       0.47753000       1.82482874      -0.59369459      -1.17826437
O        1.14831000       4.25351000       9.94535000       1.09410068      -0.13969418      -0.88912518
O       -1.38531000       4.31356000       9.85213000      -1.31093160      -0.79997044       0.64715814
O       -0.13452000       1.94919000       9.94607000      -1.95554995      -1.06616415      -1.30336104
O        1.47731000       0.90539000      12.19062000      -1.46218339       0.11929043       1.34509781
O        4.08699000       0.91678000      12.16634000       2.29188672      -0.08484466       1.35767934
O        2.77831000       3.20572000      12.27257000      -0.53199337       0.97427460       0.52019732
O       -1.16801000       2.84153000      21.71367000      -0.15755701      -1.67252172       0.04948432
O        1.56344000       2.74084000      21.53937000       0.41654237       0.53793153       0.26059935
O        0.31801000       4.97665000      21.83830000      -0.46228122       1.70707420       0.11107755
O        1.30276000       4.25038000       2.73227000       0.26834935       0.48217492       0.23297669
O       -1.74774000       4.24192000       2.72652000      -0.69237551       0.64206919       1.21167276
O       -0.27287000       1.64412000       2.88693000       0.63239843      -0.75569626      -1.31834017
O        1.05820000       0.69201000       5.31215000      -0.40598030       0.95878226      -0.65019055
O        4.17997000       0.80937000       5.21254000       1.43646388      -1.02314717       1.05429570
O        2.50707000       3.63298000       5.10215000       1.49894389      -1.49244379       0.97824277
O        4.39661000       2.54929000      14.47113000      -1.33422739      -1.60007509       0.80612203
O        1.64588000       2.49671000      14.65437000      -0.80541834       0.78771150       0.46181398
O        2.89384000       0.06384000      14.74982000       1.58867258       1.02360211       0.04156557
O        1.75467000       3.83009000      24.11316000       0.62160302       1.40190367       1.46392577
O       -0.96575000       4.06679000      24.17483000      -0.81685153       0.11192058       2.01624011
O        0.25893000       1.79155000      24.12296000      -0.24740067      -1.35736472       1.04533454
O        0.27765000       0.16220000      21.54416000      -0.15682150       0.53575092       0.52649476
O        2.76680000       1.71387000       2.68147000      -0.11454484      -1.41988128       0.81152247
O       -0.09483000       3.40521000      11.99512000      -0.95529689       1.02595215       1.14691571
O        2.67268000       5.05420000       7.41628000      -0.78643976      -0.07726223       0.43393001
O        3.15873000       1.82252000      16.77709000      -0.47964125       0.22955148       0.04908101
O        0.48525000       3.11965000      26.54407000      -1.73931193       0.55255087      -0.18759309
O        2.89339000       4.93550000       0.62561000      -0.96175652       1.54709020      -0.73180539
O        2.76113000       1.67288000      10.02277000       0.41361796       1.64734175       0.57945572
O        0.19218000       3.62038000      19.44980000       1.31589800      -0.06562072      -0.43680548
O        0.11719000       1.63425000      16.71959000      -0.38650659       1.16305789       2.32784689
O        1.89959000       4.43624000      16.66673000      -0.91615783      -0.12020649       2.35209224
O       -1.37172000       4.38434000      16.92084000      -1.58291178       0.18733195      -0.15542186
O        3.22357000       3.02237000      26.46830000      -0.07617224      -0.32188643       0.21578407
O        1.79287000       0.58782000      26.52160000       0.65614036      -0.08526419      -0.59852209
O        4.58549000       0.69058000      26.60840000      -0.18014799       1.08058187       0.15786336
O       -0.33436000       4.80512000       7.36149000       1.56846784       3.41235032       0.29968440
O        4.30280000       2.72747000       7.53148000      -0.44922018      -2.32495329       0.43933621
O        1.20267000       2.50467000       7.41327000      -1.43499105       0.82954144      -0.29693488
Zn       3.12605000       4.75377000      27.33302000       0.31524758       0.51419580       0.18285469
Zn       2.66497000       1.62281000       8.18014000       1.04868145      -0.31201494      -0.92854147
Zn       0.27122000       3.56043000      17.39463000       0.10990016      -0.40774683       0.54216815
Zn      -2.51506000       5.08228000      23.45702000      -0.58933647      -0.84160274       0.75381486
Zn       2.64344000       1.75103000       4.81175000      -0.77058589      -0.08261950      -1.42844690
Zn      -0.11037000       3.55858000      13.83773000       1.84475948      -0.57317659       0.42239459
Zn       5.76564000       0.06337000      13.32482000       0.28018452      -0.08324867      -1.18143989
Zn       2.87008000       1.81540000      22.52666000       1.94688035      -0.56967363       0.86089263
Zn      -0.16151000       3.34222000       3.96484000      -0.64063453       0.26754651      -0.85158895
Zn       5.78895000       0.04185000       9.46658000      -0.50793258      -0.06582525      -0.46838216
Zn       3.05855000       2.07944000      18.89529000       0.85168411      -0.79120519      -1.08785563
Zn      -0.08366000       3.27360000      28.47642000       0.10193039      -0.49260277       0.76165120
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.48412437 magmom=72.0037092 free_energy=-550.48412437 stress="-0.03974942149524094 -0.00280178042278421 0.001306368332197299 -0.00280178042278421 -0.04237611980388224 -0.006827725987249658 0.001306368332197299 -0.006827725987249658 -0.039813036797497134" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59947000       0.92769000      16.03266000      -0.18034429       0.80898886      -3.23995491
Cr       4.50299000       0.82294000      15.69246000       1.96282182       1.52839176       1.74666527
Cr       3.01951000       3.53481000      15.44667000       0.09724572      -0.41417779       2.53498558
Cr      -1.16711000       2.41019000      25.40818000      -0.93807432      -0.91898514       0.51214402
Cr       1.75181000       2.16464000      25.36051000       1.22052418       0.46571361      -0.62356146
Cr       0.53515000       4.69472000      25.52123000      -0.75887459       3.23868212      -0.57830421
Cr       1.10651000       4.18380000       6.20405000      -0.31114768       0.67526914       1.58758897
Cr      -1.90770000       4.26304000       6.41211000       3.01543635      -0.51733084       1.41487487
Cr      -0.24442000       1.63575000       6.38900000      -1.78148376      -0.28399881       0.06674080
Cr       0.23547000       0.25951000      18.13440000      -2.36630881      -1.37540353      -0.22754994
Cr       2.90324000       1.50768000      27.76625000       2.51925985       1.22907646       1.33655175
Cr      -0.13049000       3.37191000       8.72604000      -0.62900999       0.83740493      -1.05923203
Cr       2.75267000       5.09720000       3.92701000       0.55225417       1.50028788       0.05277411
Cr       2.85039000       1.55159000      13.47569000      -0.09314335       1.47037170      -0.45946413
Cr       0.29689000       3.36932000      22.90203000      -1.17527881       0.90290893       1.73270477
Cr       0.21020000       1.92447000      20.47873000      -0.52375831      -1.26734311      -1.12130410
Cr       1.62786000       4.50734000      20.55013000       2.09254010       1.70249362      -0.19564201
Cr      -1.29745000       4.41075000      20.61523000       1.68546197      -0.15238451      -0.92336147
Cr       2.76339000       3.30285000       1.65690000       0.58468047       1.45025760      -1.64649883
Cr       1.31783000       0.83856000       1.55822000       0.06461380       0.10808335       0.65976512
Cr       4.26821000       0.88721000       1.56600000       1.40715998      -1.28027568       1.50313652
Cr      -0.06382000       5.06072000      11.08876000       0.47656536       2.76206659      -0.11969642
Cr       4.19721000       2.63253000      11.18930000       0.27039323       0.03678458      -1.51165502
Cr       1.33771000       2.58089000      11.02218000      -0.47049567      -1.44931715       2.23734982
O        1.54066000       1.01374000      19.41862000       0.19401307      -0.88767576      -0.20920317
O        4.69306000       1.01790000      19.15421000       0.39359998       0.15431511       2.43689700
O        3.12009000       3.87142000      19.37802000       0.39825079      -0.53087883       0.80038524
O        4.31417000       2.44030000       0.44552000      -3.50216212      -0.71191525       0.53350273
O        1.41048000       2.34273000       0.25999000       2.18996466      -0.04565730       0.96181596
O        2.83123000       0.07552000       0.46599000       0.11761859      -0.12374364       0.05687881
O        1.32350000       4.17301000       9.97682000      -0.94892443      -0.25116288      -0.67718980
O       -1.33926000       4.18076000       9.99546000      -1.87472743       0.49923402      -0.59291983
O       -0.33942000       1.85646000       9.92903000       1.50662019       0.54640642       0.63268097
O        1.53840000       0.87753000      12.20805000      -0.95442056      -0.01294494      -0.10870076
O        4.27466000       1.04661000      12.16794000      -0.59653911      -2.21827028       0.74552710
O        2.81903000       3.39414000      12.45890000      -0.48161691      -2.42856490      -2.26286575
O       -1.04933000       2.63449000      21.64815000      -1.97254173       1.69753308       0.83853187
O        1.52254000       2.82232000      21.53683000       1.15561143      -0.31467663       0.40160796
O        3.22839000       0.04999000      21.78448000      -1.26963620      -0.83043825       0.29245011
O        1.49669000       4.32709000       2.76148000      -1.64564321      -0.27636732      -0.50540959
O       -1.79746000       4.35782000       2.63656000       0.64580956      -0.92700660       2.11981927
O       -0.07000000       1.69214000       2.81603000      -0.78965309      -1.14611339      -0.55557452
O        1.06486000       0.73156000       5.22939000       0.53105625       0.07216521       0.40543999
O        4.35443000       0.73582000       5.33206000      -1.37561554       0.71462462      -2.11655194
O        2.65196000       3.56794000       5.24150000       0.33769396       0.88561125      -0.44295232
O        4.32356000       2.28698000      14.47359000       0.59771835       2.22752722      -0.11801970
O        1.54207000       2.49144000      14.66617000       0.05322649      -0.38515585      -0.31634289
O        3.06053000       0.07964000      14.83442000      -2.37171331      -0.95915536      -1.58103655
O        1.76001000       3.83871000      24.14671000       0.29810050       0.80864062       0.71904129
O       -0.92220000       4.10983000      24.34579000      -0.57593041      -0.62512783      -0.93330639
O        0.18481000       1.72092000      24.32192000       0.95535262      -0.88250635      -2.30839078
O        0.29811000       0.12137000      21.63328000      -1.04212411       0.81981074      -0.24973021
O        2.76259000       1.69199000       2.66106000       0.39936457      -0.71928818       0.59203493
O       -0.14863000       3.42700000      12.02463000       0.52774433      -0.64827087       0.23681596
O        2.61441000       5.03597000       7.55871000       0.37492601       0.29516370      -1.26959035
O        3.06473000       1.93821000      16.64352000       0.55794794      -0.59036726       1.79430647
O        0.36283000       3.09563000      26.46575000      -0.35913604      -0.21807733       0.71346696
O        2.88767000       4.99934000       0.60680000      -1.26465979       0.15650215      -0.74590342
O        2.68024000       1.66745000      10.04209000       1.23808345       0.34425076       0.13116279
O        0.34904000       3.68278000      19.52877000      -2.66362617      -0.99670749      -1.58410707
O        0.02829000       1.75014000      16.83770000       0.48578481      -0.65211924       0.16727757
O        1.79398000       4.36658000      16.82998000       0.93020492       0.95016883      -0.09777620
O       -1.60240000       4.34985000      16.94799000       1.58228367       0.07342103      -0.78852894
O        3.28904000       3.01661000      26.47213000      -1.61466388      -0.91334933      -0.05961248
O        1.84182000       0.58137000      26.59499000      -0.29758972      -0.87408505      -1.76106593
O        4.64924000       0.74430000      26.64038000      -1.02519128      -0.06241955      -0.42330926
O       -0.18373000       4.99684000       7.39858000      -1.49312497      -1.34576182       0.21922775
O        4.33271000       2.59929000       7.55018000      -0.28388121       0.65764348      -0.55848209
O        1.00214000       2.58164000       7.35372000       2.41842676       0.27128956       1.15559421
Zn       3.14982000       4.65289000      27.32214000      -0.13268641       1.84769288       0.20270527
Zn       2.69443000       1.64156000       8.12929000       0.17236289       0.56871608      -0.33269474
Zn       0.20560000       3.61298000      17.43418000      -0.97759316      -0.41638417       0.63150342
Zn      -2.46024000       5.07027000      23.52047000      -0.58211961      -0.63285241       0.90482550
Zn       2.59344000       1.84008000       4.80031000       0.87020864      -2.93634396      -1.55842456
Zn      -0.04101000       3.52566000      13.83350000       0.22063045      -1.07476852       2.44835131
Zn       5.80572000       0.01095000      13.18330000       0.23387300       1.40821904       0.85115118
Zn       2.77003000       1.88649000      22.61001000       2.18389843      -1.11082812       1.05662550
Zn      -0.11042000       3.48231000       3.84829000      -0.46196988      -0.26136553      -0.61394887
Zn       5.87212000       0.02837000       9.56472000       0.14047984      -0.23555831      -0.80614574
Zn       3.06582000       2.01801000      18.95387000       0.67619172       0.01111346      -1.41701501
Zn      -0.15296000       3.30367000      28.44398000       1.44940497       1.17829472      -0.73388531
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.58843662 magmom=72.0010852 free_energy=-550.58843666 stress="-0.04538823543916739 0.003027606418060148 0.0007100365185905476 0.003027606418060148 -0.052639351276945065 0.0026774857430250177 0.0007100365185905476 0.0026774857430250177 -0.044404720781954884" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54088000       0.98419000      16.07071000       0.48106617      -0.11360756      -4.50850985
Cr       4.51513000       0.80590000      15.77538000      -0.79645000       1.80725668      -1.32961828
Cr       2.95820000       3.42304000      15.60885000       0.77978934       1.35875557       0.69529851
Cr      -1.23007000       2.37085000      25.37346000      -0.11547349      -1.28758103      -0.67475751
Cr       1.83607000       2.11178000      25.32632000      -2.54980296       0.39969202      -1.94523530
Cr       0.58516000       4.74619000      25.51145000      -3.66401361       1.10009469       0.27951709
Cr       1.08181000       4.28784000       6.22179000       1.48507033      -0.63536377       0.34831504
Cr      -1.83700000       4.27827000       6.50815000       1.93459320      -0.39012420      -0.81639155
Cr      -0.25553000       1.62568000       6.32668000      -0.05679235       1.63201596       0.37333160
Cr       0.18387000       0.29844000      18.04933000      -1.69956897      -3.80096970       3.75922320
Cr       2.88002000       1.56299000      27.85915000       0.70724717      -2.60671550      -3.21687010
Cr      -0.16932000       3.29909000       8.80174000       0.10321511       1.45690190      -2.44073239
Cr       5.80409000       0.04252000       3.92966000      -2.19806189      -0.33177810       1.30335475
Cr       2.82945000       1.58670000      13.40389000       1.19401604      -0.21100187       1.76777610
Cr       0.24777000       3.44266000      22.93101000      -0.21776898      -0.11794586      -0.01432090
Cr       0.15699000       1.89573000      20.42891000       0.28799216       0.68993773       2.23056212
Cr       1.65694000       4.55458000      20.48646000      -2.37399071      -2.28067801       2.64522022
Cr      -1.40603000       4.42598000      20.53228000       1.54960511      -0.97156540       1.38051299
Cr       2.89317000       3.41539000       1.60590000      -1.57121702      -1.35068717       0.30923324
Cr       1.21860000       0.90199000       1.55992000       4.85128126      -1.57310401      -1.24401409
Cr       4.36148000       0.86401000       1.54094000      -2.71420164      -0.76581597       1.76028823
Cr       0.04551000       5.04326000      11.10585000      -1.26239787       0.65230129      -0.29226151
Cr       4.19655000       2.61519000      11.07556000       2.40925649      -2.08851169       2.38283295
Cr       1.43519000       2.52504000      11.18067000      -4.09514003      -0.96984434      -1.98865281
O        1.50921000       0.84915000      19.35536000       0.50934193       1.80402726      -0.66258058
O        4.68161000       0.90345000      19.39667000       0.23499174       2.63666918      -1.90981454
O        3.01942000       3.84771000      19.34689000       0.80432913      -1.02534648      -0.71800405
O        4.10071000       2.38455000       0.41039000       1.61944534       2.40667581       0.48110183
O        1.49656000       2.36370000       0.26565000      -0.54024263       0.98665347       1.66107829
O        2.96521000       0.06096000       0.43931000      -1.69139182      -0.46804222       0.58004448
O        1.29334000       4.01665000       9.90946000       0.00735221       1.28220693       0.49581781
O       -1.52966000       4.12591000      10.03020000       2.60253234       0.56931191      -0.59430924
O       -0.26095000       1.87220000      10.01805000       1.24347317      -1.42506290      -0.06464859
O        1.46035000       0.87118000      12.23134000       0.60985862      -0.78262455      -0.52319057
O        4.30681000       0.83950000      12.27725000      -1.18116579       0.31294989      -1.14405314
O        2.77117000       3.15367000      12.23065000       1.21059311       2.05923438       1.64296675
O       -1.17601000       2.74557000      21.68350000      -0.05484422       0.31519470      -0.08038424
O        1.58879000       2.90890000      21.57927000      -0.58123023      -0.88990604      -0.14374099
O        2.94418000       0.03788000      21.76588000       0.94554213      -0.40932215       0.08380733
O        1.51406000       4.38497000       2.69034000      -0.12171497      -1.16578161       0.27808829
O       -1.77485000       4.34697000       2.86549000       1.58367075      -0.89673660      -1.95860192
O       -0.06753000       1.47759000       2.64796000      -1.67594630       2.93325929       1.79695015
O        1.10384000       0.77442000       5.25250000       0.56914720      -0.12074639       0.58096948
O        4.33460000       0.76078000       5.12796000      -0.60132892       0.81270822       0.06958708
O        2.79476000       3.65454000       5.27362000      -1.53516117      -1.20959627      -0.93517939
O        4.25984000       2.35406000      14.52937000       0.44989583       0.84705711       0.07982870
O        1.53752000       2.41820000      14.66061000       0.03759936       0.28484054       0.20098230
O        2.92041000       0.10110000      14.71478000       0.07964813       0.15010109       0.76584921
O        1.78670000       3.98612000      24.34478000       0.90344674      -1.14667930      -1.68890417
O       -0.94417000       4.00428000      24.37712000      -0.30525745       0.28681599      -1.41188139
O        0.24752000       1.61135000      24.22626000      -0.06956193       2.12054902      -0.26856680
O        0.15362000       0.22268000      21.58871000       0.04184374      -0.07935740      -0.01977105
O        2.82435000       1.53265000       2.68121000      -0.51313675       1.70438727      -0.51011655
O       -0.14665000       3.38311000      12.05449000       0.48049567       0.05221615       0.69578862
O        2.63224000       5.09798000       7.41679000      -0.45412113       0.49709698       0.93776092
O        3.03572000       1.89201000      16.78404000       0.60926692      -0.91376532       1.46432607
O        0.16298000       3.09685000      26.42834000       1.46333386      -0.05624496       1.27134611
O        5.65744000       0.01177000       0.49924000       2.37492688      -1.36255505      -0.42123202
O        2.83687000       1.72052000      10.15025000      -0.42649442      -1.51074333      -2.19044298
O        0.12046000       3.59572000      19.43475000       0.04324952       0.34136594       0.21691184
O       -0.00426000       1.79190000      16.96796000       0.17409838       0.18022092      -1.65536746
O        1.84135000       4.45179000      16.95676000      -1.51645762      -0.77565801      -0.70359773
O       -1.61742000       4.34265000      16.79539000       0.96011364       0.23882572       0.68325197
O        3.10009000       2.82745000      26.45320000       0.97999603       3.02651527       1.24321295
O        1.85938000       0.44035000      26.37930000      -0.25214143       0.72831164       1.63138677
O        4.50232000       0.82509000      26.56845000       1.22175626      -0.70041134       1.47221904
O       -0.26473000       4.94613000       7.44971000      -0.33465574       0.04576756       0.98652353
O        4.36141000       2.57187000       7.45666000      -0.41184470       0.40048998       0.67636239
O        1.10787000       2.71237000       7.44142000       0.03146177      -1.35215012      -0.23700097
Zn       3.17104000       4.64597000      27.31105000      -0.16148562       1.18998842      -1.72665516
Zn       2.73651000       1.68992000       8.04890000      -0.25523474       0.21962579       0.52253624
Zn       0.09400000       3.65015000      17.51145000       0.04822836       0.32503097       0.17645266
Zn      -2.43382000       5.01045000      23.62878000      -0.64814089      -1.27969936      -0.73055841
Zn       2.59153000       1.79397000       4.70457000       1.32103970       0.10524710      -1.08906256
Zn       0.04652000       3.43403000      13.94846000      -0.82799079      -0.35063553       0.80867097
Zn       5.86049000       0.00442000      13.07972000      -0.17852491      -0.53725092       1.47314582
Zn       2.78904000       1.89938000      22.76081000       1.52002060      -0.82320868      -0.06293160
Zn      -0.08002000       3.62119000       3.70662000      -0.05581077      -0.33621942       0.26896711
Zn       0.04094000       0.01226000       9.61551000      -2.97896132       1.41638328      -1.64223824
Zn       3.10964000       1.94736000      18.93712000      -0.29337163       0.15474727      -0.45241265
Zn      -0.16633000       3.37668000      28.38448000       0.51726600      -0.41839280      -0.46478942
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.32323043 magmom=72.0721376 free_energy=-550.32786279 stress="-0.04127538614124808 0.0022888100178174815 -0.0013051176710816728 0.0022888100178174815 -0.0396863109750353 0.0012474216288351921 -0.0013051176710816728 0.0012474216288351921 -0.04056735829633198" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42794000       0.98039000      15.97860000       2.66895115      -0.35494075      -3.45009502
Cr       4.52242000       0.89297000      15.84816000      -2.41448455       0.81604940      -2.49426129
Cr       2.94417000       3.38384000      15.84090000       0.62305351       0.38322735      -0.64446550
Cr      -1.28857000       2.26190000      25.32961000       1.15574320       1.37076994       0.76826468
Cr       1.81624000       2.09679000      25.24978000      -1.28653739       2.96355208       0.83147112
Cr       0.45232000       4.86491000      25.51821000      -0.91460483      -2.43702337      -1.23482189
Cr       1.12705000       4.35109000       6.27839000       1.05058023      -0.96731376      -0.05970232
Cr      -1.67021000       4.27598000       6.55922000      -2.87643141       0.56203602      -3.45988341
Cr      -0.27498000       1.71796000       6.29434000       0.99084258       1.02893493      -0.23613847
Cr       0.10708000       0.20050000      18.03289000      -0.47784861      -0.79876118       2.78066872
Cr       2.89338000       1.50251000      27.83185000       0.89443495       1.68769441      -0.01008581
Cr      -0.18416000       3.29738000       8.74630000       2.09528841      -0.39865971       0.55301420
Cr       5.80793000       0.08231000       3.97865000      -0.46214117      -1.02711688      -1.00355841
Cr       2.87915000       1.62145000      13.43260000       0.52516400      -0.17708298       0.87579030
Cr       0.18987000       3.50801000      22.93736000       1.56687054      -1.38778948      -2.00434706
Cr       0.12351000       1.89613000      20.46149000       0.86662136       0.95498484       1.58932068
Cr       1.58026000       4.50568000      20.53092000      -1.23367876      -0.42631161      -0.25657450
Cr      -1.43132000       4.40858000      20.50311000      -1.14862765       0.96000829       0.61702497
Cr       2.93515000       3.46183000       1.56745000      -1.14008482      -1.09481414       1.24385540
Cr       1.36655000       0.90286000       1.51578000      -1.35671767      -0.87081259       1.95574701
Cr       4.30420000       0.79405000       1.58024000       0.28616675       1.07912767      -0.17903441
Cr       0.06200000       5.05747000      11.08421000      -2.88031887      -1.75984801      -1.17020455
Cr       4.32839000       2.48485000      11.06950000       0.45233852      -0.14577659       0.69820339
Cr       1.32045000       2.42060000      11.24201000       2.69346741       1.35962106      -1.88691339
O        1.52069000       0.90702000      19.24935000      -1.35963804       0.06872438       0.68167593
O        4.71340000       1.08771000      19.42114000       0.07469386      -2.30856842      -1.04023878
O        3.01201000       3.73697000      19.29699000      -0.49716002       1.30745539       0.32475745
O        4.09950000       2.61973000       0.40330000       1.75996527      -2.32390046      -1.18852119
O        1.58803000       2.50243000       0.51847000      -1.02193694      -0.13703778      -2.39709040
O        2.82321000       0.02493000       0.50726000       0.10718261       0.71296103      -0.59416332
O        1.20479000       4.05134000       9.94676000       1.95284046      -0.13391936      -0.17921481
O       -1.32741000       4.13615000       9.99196000      -1.98985210      -0.08881703       0.28982552
O        0.02126000       1.77270000      10.09235000      -1.83744375       0.46240128      -1.29025899
O        1.52898000       0.76599000      12.17306000       0.09554567       0.13195539       0.92819530
O        4.15198000       0.72549000      12.24736000       2.88672147       1.83497768       1.10119114
O        2.91102000       3.13152000      12.18547000      -0.61431021       1.18132701       0.48781997
O       -1.29213000       2.94322000      21.74202000      -0.14520058      -2.23470923       0.49382357
O        1.51206000       2.85983000      21.59776000       0.25023416      -0.57811414       0.44146075
O       -0.10444000       5.02273000      21.76450000       2.00549250       2.15332001       0.30917265
O        1.53848000       4.29425000       2.64210000       0.17248908       0.73630282       0.87477470
O       -1.64777000       4.25672000       2.80011000      -1.17192985       1.90798558      -0.53227596
O       -0.23749000       1.60773000       2.68663000       1.69425239      -0.08439599      -0.03728617
O        1.17568000       0.76839000       5.38621000       0.05347346       0.24388199      -1.08199429
O        4.27188000       0.88192000       4.96365000       1.16334767      -0.81572156       2.02968268
O        2.64035000       3.59757000       5.14162000       0.34715305       0.52000422       0.99784198
O        4.22762000       2.58069000      14.62741000       0.31166345      -1.33972402       0.15508410
O        1.62031000       2.39814000      14.71091000      -0.19388773       1.54112213       0.12458547
O        2.76175000       0.17504000      14.69771000       1.58725024      -0.85084449       0.76883783
O        1.83104000       3.96789000      24.33538000      -0.85212114       0.09638624      -0.31836800
O       -1.02443000       3.90279000      24.23486000      -0.42036510       0.92303917       2.54095727
O        0.31781000       1.84166000      24.07530000      -0.72333778      -2.26163785       0.15592337
O        0.01820000       0.27600000      21.49574000       0.92955230      -1.04528256       1.47874961
O        2.80786000       1.66959000       2.54292000       0.35377671       0.19535644       0.85029775
O       -0.05393000       3.33615000      12.16340000      -0.69742580       0.01544426       0.46899369
O        5.58431000       0.11196000       7.34130000       0.02433670      -0.83939944       1.19421757
O        3.07844000       1.67062000      17.03719000      -0.57938304       0.47910781      -2.72549300
O        0.19259000       3.09519000      26.46471000       0.41994480       0.00191579      -1.20742652
O        2.86706000       5.06146000       0.44724000       0.09631016       1.01120411       0.72126796
O        2.99063000       1.55046000       9.94398000      -0.46718169       0.82645414       0.76591773
O       -0.13149000       3.53022000      19.44815000       2.26893228       0.56958225       0.21928628
O       -0.01279000       1.83734000      16.82241000      -0.26871049      -0.49564602       1.38147929
O        1.67251000       4.41031000      16.91657000       0.07523724       0.01409704       0.47846232
O       -1.51855000       4.39512000      16.73570000      -1.81327508      -0.43994716       1.68550678
O        3.02252000       3.01328000      26.54681000       0.76077416      -2.18778017      -1.37302152
O        1.84962000       0.47605000      26.39126000      -0.57286405       0.92917819       0.76632176
O        4.50474000       0.80014000      26.66039000       0.05019294      -0.21841321      -0.05192199
O       -0.31038000       4.84807000       7.64490000       1.58664613       1.97547332      -0.55045212
O        4.36390000       2.63113000       7.44970000      -0.27724561      -0.89607739       0.61089210
O        1.17812000       2.66482000       7.46102000      -1.00638363       0.00511181      -1.11170173
Zn       3.18280000       4.70855000      27.22385000      -0.33248234       1.50248265      -0.00937306
Zn       2.76770000       1.75209000       7.99921000      -0.41125735      -0.70318147       0.81416685
Zn      -0.01786000       3.69676000      17.59697000       0.67839865      -0.52204729      -0.28926377
Zn      -2.45091000       4.90568000      23.70555000      -1.92281058       1.60659541      -1.46621779
Zn       2.64736000       1.74322000       4.54573000      -0.31591022       0.70580173      -0.57955839
Zn       0.09440000       3.32768000      14.11769000      -1.15643275       1.17119367      -0.02806915
Zn       2.95243000       5.09286000      13.05553000      -0.58152632      -0.70900103       0.86029984
Zn       2.89084000       1.86755000      22.91482000       0.77283727      -0.34551728      -1.77593151
Zn      -0.04555000       3.73542000       3.58840000       0.18129682      -1.49325284       1.02594135
Zn      -0.01497000       0.03494000       9.58194000      -0.77834483      -2.18284866      -1.19258633
Zn       3.13868000       1.88219000      18.89299000      -0.89632423       0.44837772       0.40785538
Zn      -0.14711000       3.43395000      28.30773000       0.56615290      -1.36319074       0.76188844
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.5090188 magmom=72.1671829 free_energy=-552.51810929 stress="-0.04326177541861183 -0.00022477765892013697 0.0023124096194526125 -0.00022477765892013697 -0.03053899878751745 -0.0005895386486967767 0.0023124096194526125 -0.0005895386486967767 -0.035293852622668355" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37699000       0.90646000      15.80843000       0.96805983       0.23176928      -1.02263322
Cr       4.45146000       0.99068000      15.84375000       0.07080168      -2.56804780      -1.44182398
Cr       2.96141000       3.40304000      16.03951000      -1.22608317      -0.98201696      -3.10499402
Cr      -1.27916000       2.21871000      25.34013000       0.96870151       0.60400737       0.02690329
Cr       1.72183000       2.23663000      25.22880000      -0.35004752       0.76598113       0.23023693
Cr       0.25608000       4.86786000      25.49781000       0.65069116      -0.20201498      -0.74927635
Cr       1.23446000       4.35306000       6.33275000      -0.54590928       0.38336120       0.51972194
Cr      -1.65709000       4.29702000       6.43047000      -0.78617542       0.46596321       0.30825501
Cr      -0.24184000       1.85320000       6.25928000      -0.04484754      -1.80271705      -0.39056364
Cr       0.03722000       0.10028000      18.05687000      -1.52623407       2.41200978       1.64970960
Cr       2.95965000       1.50912000      27.80400000       0.52077815       1.98609595       0.03616498
Cr      -0.08697000       3.30702000       8.70900000       0.11365115       1.07547195       0.93310972
Cr       5.77832000       0.06963000       3.97101000       0.68964085       0.98733599       0.40603376
Cr       2.96706000       1.64639000      13.51941000       0.01325584       0.89429810      -0.92667754
Cr       0.18864000       3.49379000      22.86473000      -0.82617051      -0.50645439       2.29516601
Cr       0.12096000       1.91240000      20.56734000      -1.86054418      -2.19623438      -0.62646186
Cr       1.46047000       4.42455000      20.57897000       2.20587787       1.43908854      -0.95176951
Cr      -1.49536000       4.43263000      20.52972000       0.27572091       0.36241732       0.95090411
Cr       2.91365000       3.44170000       1.55969000       0.66573950       0.93237370      -1.49061481
Cr       1.45206000       0.89128000       1.53400000      -3.36071221       2.04544052       1.07253473
Cr       4.24810000       0.80719000       1.58355000       3.75300652       1.29256724      -0.34645595
Cr      -0.05045000       4.99340000      11.02296000       1.21219881       0.07637697       1.87843927
Cr       4.46817000       2.36813000      11.12165000      -2.21164817       2.24255549       0.28080775
Cr       1.31967000       2.38800000      11.18320000       3.89406462       1.21447882       0.00407649
O        1.31857000       0.99814000      19.29487000       1.52490891      -0.43934246       0.58023012
O        4.75874000       0.95728000      19.27346000      -1.90770806       0.38927542       1.79710749
O        2.93388000       3.80641000      19.34359000       0.41844958      -1.98413618       0.57379386
O        4.30343000       2.47551000       0.31179000      -1.56734028      -0.82947690       0.94543170
O        1.52703000       2.60305000       0.42107000       0.96334537      -1.07224909      -0.92131927
O        2.75863000       0.05786000       0.48181000       1.85540770      -0.18835327      -0.80545184
O        1.35963000       4.05810000      10.00110000      -1.19565272      -1.25068006      -0.18067155
O       -1.36296000       4.05313000      10.00162000      -0.83498324      -0.02568061      -0.54335827
O       -0.00661000       1.77842000       9.94324000       0.12312432      -0.35607454      -0.15873817
O        1.66377000       0.76143000      12.24472000      -0.82708491       0.72069277       0.42276395
O        4.34331000       0.90751000      12.30476000      -0.29522290      -1.62722418       0.10500854
O        3.03855000       3.27505000      12.28930000      -0.99644672      -1.69342557      -0.55672084
O       -1.33730000       2.82397000      21.81083000       0.11578860       0.02191222      -0.46503573
O        1.43024000       2.75604000      21.64783000       1.39555873       0.15986210       0.34149635
O        3.08400000       0.05537000      21.77629000      -1.16253338      -0.00948836       0.39652321
O        1.62826000       4.36900000       2.72501000      -1.44615132      -0.14567648      -0.55754117
O       -1.72677000       4.49106000       2.65410000       1.33789619      -1.34416639       1.75661961
O       -0.12223000       1.67373000       2.73582000       0.00921085      -0.26043864      -0.36221406
O        1.19518000       0.78485000       5.33075000       0.32601363       0.68933343      -1.31562996
O        4.41431000       0.84967000       5.19564000      -1.64751195       0.39671896      -1.07781597
O        2.56940000       3.64045000       5.20170000       2.28137011      -1.18020274      -0.63862262
O        4.20847000       2.54602000      14.76434000       1.09179468       0.66492581      -0.34175035
O        1.73111000       2.56807000      14.79959000      -0.84867336      -0.61134032      -0.64034886
O        2.90171000       0.17197000      14.80452000       0.35020158      -1.10772114      -0.73992536
O        1.66818000       3.94269000      24.24505000      -0.30104696       1.04266005      -0.18101297
O       -1.07546000       3.93714000      24.43647000      -0.45070236       0.79217790      -1.46090549
O        0.25786000       1.75295000      24.00352000      -0.52886795      -0.95044307       0.65875816
O        0.03895000       0.14010000      21.56460000       0.10813938       0.11807788       0.83529097
O        2.86028000       1.81622000       2.51397000       0.43201672      -1.29029043       0.86218978
O       -0.02537000       3.27998000      12.25107000       0.03313560       0.08721780      -0.54430202
O        5.60569000       0.09955000       7.42641000       0.97972247      -0.28827813      -0.26955051
O        2.98894000       1.57012000      16.81825000      -1.25062373       1.58199503       2.56884069
O        0.29140000       3.12321000      26.29386000      -0.62236489      -0.35546876       1.40118368
O        0.10229000       0.00425000       0.56340000      -2.18373588      -0.20399574      -1.70250673
O        3.03027000       1.49406000       9.94421000      -0.76761067       1.08995547       0.95690019
O        0.00097000       3.58680000      19.58206000      -0.06386363       0.27090478      -0.60725812
O       -0.03945000       1.82348000      16.81242000       0.46622300      -0.67832994       1.22257556
O        1.51211000       4.35910000      16.88682000       1.27624443       1.02430587       0.80536602
O       -1.67317000       4.40964000      16.93245000       1.53994860       0.21664947       0.07514745
O        3.12078000       2.89583000      26.41863000       0.29397318       1.15225607       0.34965366
O        1.75451000       0.68185000      26.51201000       0.27733992      -0.42870939      -0.73020488
O        4.50559000       0.74177000      26.69939000      -0.69574828      -0.61063217      -0.98496064
O       -0.11352000       4.97990000       7.66873000      -1.10266223      -0.65755243      -1.81048406
O       -1.50892000       2.63321000       7.50685000      -0.14525859       0.90596779      -0.57924386
O        1.06441000       2.64161000       7.28885000       2.41752506       0.49623929       1.46175832
Zn      -2.72727000       4.82887000      27.13049000      -0.69699808      -0.48598863       0.90264832
Zn       2.76851000       1.77951000       7.99053000      -0.65658850      -0.26197271       0.72524699
Zn      -0.08953000       3.71189000      17.66456000       0.72070096      -1.13159137      -0.19947946
Zn      -2.56134000       4.87968000      23.70857000      -1.00615525       0.83416411      -1.30998299
Zn       2.69851000       1.72926000       4.37511000       0.15416883       0.25812985       2.08543727
Zn       0.07653000       3.28383000      14.27718000      -0.89191191       1.06057651      -0.71472666
Zn       2.96415000       5.03954000      13.09190000       0.06283099       0.11416188       0.70168864
Zn       3.02944000       1.81512000      22.99270000       0.66678942      -0.49359648      -1.39169576
Zn      -0.01590000       3.76502000       3.53367000      -1.11552042      -1.64119099       0.85887305
Zn       2.83184000       5.07786000       9.47801000       0.83149295      -0.87907434      -0.89278318
Zn       3.11782000       1.84193000      18.86194000      -0.83569374       0.11777232      -0.37321277
Zn      -0.08955000       3.42400000      28.25596000       0.72752381      -0.87724830       0.12612781
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.63980916 magmom=72.0005957 free_energy=-553.63980916 stress="-0.0440991762722893 0.001715554074573599 -0.002640082575844812 0.001715554074573599 -0.03312634243376921 0.004242348872002715 -0.002640082575844812 0.004242348872002715 -0.03960627796972532" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35913000       0.83328000      15.66538000       1.04400388       0.45848252       1.57945258
Cr       4.40809000       0.93399000      15.83591000       0.29902005      -0.27196881       0.85348888
Cr       2.91818000       3.43922000      16.10920000       0.36703715      -0.64029651      -3.29107193
Cr      -1.22091000       2.22078000      25.35792000      -1.11342668       0.29758377      -1.03906665
Cr       1.63836000       2.40646000      25.23343000       1.48509748      -1.44962912      -0.55521139
Cr       0.11283000       4.87103000      25.47252000       0.16007630       1.11340543      -1.02866117
Cr       1.33160000       4.35574000       6.38486000       0.83304456      -0.14996400      -2.13500465
Cr      -1.68613000       4.35008000       6.31629000       1.75104073       0.03327262      -0.16003515
Cr      -0.19490000       1.89459000       6.22013000       0.71754752      -0.68562472       0.19526017
Cr       5.80384000       0.11590000      18.08702000       1.90057116       1.27986998       4.69449069
Cr       3.04189000       1.60136000      27.79958000      -0.90528040      -1.36141833      -2.94983162
Cr       0.00289000       3.36641000       8.71681000      -2.47646712      -0.16140721      -1.03069824
Cr       5.77863000       0.10104000       3.96868000      -0.22392515      -0.41381211       0.04874063
Cr       3.05367000       1.70464000      13.54917000      -0.15963026      -1.08833892      -0.50067716
Cr       0.14575000       3.44203000      22.90079000      -1.13839160       0.03235396       0.53211325
Cr       0.04032000       1.82618000      20.64291000      -0.10485010       0.35972330      -0.04559561
Cr       1.48082000       4.42915000      20.59332000       1.34220723      -0.90838542       1.70624212
Cr      -1.54250000       4.47020000      20.59674000       2.68423179      -1.61183215       0.23749419
Cr       2.92072000       3.45215000       1.47590000       0.29277170       0.57969725       0.58907070
Cr       1.36552000       0.97387000       1.55957000       1.46932724      -0.92987503      -1.09649472
Cr       4.37898000       0.89245000       1.53866000       1.15671644      -2.19095791       0.93432811
Cr      -0.11620000       4.94096000      11.07036000       1.08274513       0.28883389       1.85809323
Cr       4.47596000       2.37802000      11.18209000      -0.04502569       0.53902878      -1.23768073
Cr       1.53683000       2.42746000      11.14760000      -1.77948033      -0.65531040       0.90289587
O        1.29860000       0.97407000      19.45441000       0.33273198      -0.79955501      -0.81885041
O        4.56931000       0.83564000      19.43892000       0.13787698       1.30239769      -0.43024302
O        2.93735000       3.64245000      19.47418000       0.37169827       0.75140311      -0.89958004
O        4.28732000       2.29026000       0.38034000       1.25229076       4.21380084      -0.73639667
O        1.64774000       2.49557000       0.19030000      -0.02563152       0.18994740       1.63193739
O        2.97276000       0.05114000       0.37855000      -0.99760928       0.19467028       0.67329101
O        1.30554000       3.89069000      10.00691000       0.27955191       2.67004810      -0.66136055
O       -1.48931000       3.98620000       9.97418000       0.84419585       0.91339623       0.09460226
O       -0.07513000       1.77439000       9.80358000       0.68900564      -0.85042889       1.24816234
O        1.70624000       0.89628000      12.35314000      -0.69982660      -1.40001721       0.04386597
O        4.43957000       0.86540000      12.35859000      -0.90740434      -1.07728524      -0.14893732
O        2.97881000       3.10596000      12.27581000       0.38941827       1.84305639       0.26885406
O       -1.29505000       2.73319000      21.77805000      -0.40416622       0.51315225      -0.04550424
O        1.46442000       2.72434000      21.71465000      -0.13552193      -0.07521322      -0.04785989
O        3.14169000       0.11202000      21.82328000      -1.41342523      -1.23203438       0.27609687
O        1.55779000       4.45240000       2.69934000       0.05910763      -1.32274227      -0.43130694
O       -1.65049000       4.54170000       2.77367000      -0.33945268      -1.14707857      -0.92661252
O       -0.00372000       1.62782000       2.71317000      -0.99686684       1.26667789      -0.09520623
O        1.20593000       0.88338000       5.09856000      -0.21915693       0.19568659       1.18635252
O        4.35634000       0.85605000       5.27673000      -0.02311409       0.32815908      -1.41580121
O        2.84754000       3.58099000       5.21229000      -0.87379352       0.19854854      -0.85462703
O        4.29654000       2.55485000      14.84030000      -0.74176843       0.36202686       0.03448609
O        1.74567000       2.58611000      14.77443000      -0.78891727      -0.62376737      -0.39386306
O        3.06842000       0.06840000      14.77229000      -1.34346641       0.80203524      -0.38485852
O        1.41548000       4.06539000      24.17939000       1.33855574       0.34791319       0.91091268
O       -1.18208000       4.02274000      24.39729000      -0.60460540      -0.86891372      -1.30779605
O        0.12066000       1.59219000      24.11863000       0.83434267       1.85164334       0.26228819
O        0.08005000       0.03158000      21.71138000      -1.01118979       1.17606216      -0.31971345
O        2.98954000       1.76604000       2.50760000      -1.27656181       0.50041882      -0.48088387
O        0.01752000       3.23803000      12.16752000       0.02228740       0.70258520       0.57933197
O        5.77785000       0.02168000       7.40438000      -0.38384129       0.82940230      -0.35802277
O        2.76474000       1.71645000      16.87077000       1.10365881      -0.82621056       0.59267329
O        0.24647000       3.12197000      26.31715000      -0.91807799       0.32517787       1.25996074
O        5.85612000       0.04196000       0.48694000       0.55943562      -0.29100333      -0.40705202
O        2.94414000       1.60056000      10.17250000       0.36716023      -0.94691772      -2.14915039
O        0.08776000       3.63286000      19.62067000      -1.74952086      -1.05369671      -0.56799993
O       -0.00274000       1.69322000      16.94666000      -0.33030178       0.07482655      -0.86320143
O        1.55314000       4.46631000      16.96090000      -0.96920243      -0.81096085       0.09201001
O       -1.60283000       4.43054000      17.05555000      -1.40747735       0.65684678      -1.56476693
O        3.22419000       2.92221000      26.33480000      -1.13460820       2.20044733       1.48835994
O        1.72496000       0.82936000      26.47317000       0.01574046      -0.62082046       0.10065162
O        4.38410000       0.62927000      26.53459000       0.95675586       0.55006446       0.58096652
O       -0.13573000       4.98525000       7.36295000      -0.45258964       0.99228772       1.85412972
O       -1.43906000       2.79404000       7.43317000      -0.63265532      -1.01037307       0.31175428
O        1.25022000       2.70445000       7.33312000      -0.44031063      -0.43335510       0.57784399
Zn      -2.76837000       4.92806000      27.08411000      -0.23789717      -0.39125042       0.12292202
Zn       2.74388000       1.78503000       8.01849000       1.35923576      -0.65590398       0.66887387
Zn      -0.10593000       3.66372000      17.72315000       1.64326093      -1.36188304       0.38746602
Zn      -2.71935000       4.89466000      23.64504000      -0.43251455      -0.65185386      -0.47015569
Zn       2.75021000       1.73420000       4.32790000       0.46637864       0.43400499       2.14446892
Zn       0.01873000       3.29801000      14.38258000       0.70500834       0.51296632      -1.73554128
Zn       2.97715000       4.99170000      13.17268000       0.32691618       0.15582526       0.37591352
Zn       3.18708000       1.74498000      23.00441000      -0.10871294      -0.14085353      -0.89304580
Zn      -0.03984000       3.70569000       3.53483000      -0.25538015      -1.05313768       0.99488870
Zn       2.77101000       4.96530000       9.33738000       0.73067259       0.37115694       0.24259655
Zn       3.04850000       1.81682000      18.82716000      -1.06521592      -0.13774508       0.53955694
Zn      -0.00551000       3.37115000      28.21700000      -0.10346303      -0.10706537       0.80147790
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.65800914 magmom=72.0019912 free_energy=-554.65800914 stress="-0.03343501465728042 0.0009938213985452758 0.003632494036203078 0.0009938213985452758 -0.02389547520103222 0.0033160085043228214 0.003632494036203078 0.0033160085043228214 -0.03471618291510648" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38367000       0.79416000      15.65504000       0.20598784       1.60250216       1.07457760
Cr       4.41216000       0.83736000      15.91995000      -1.31251710       1.81538871      -0.90677146
Cr       2.88051000       3.48116000      16.04628000      -0.71243551      -1.26292765      -2.08575878
Cr      -1.26363000       2.25442000      25.35688000      -2.42777251       1.85870487      -0.29223387
Cr       1.65039000       2.48763000      25.24353000       0.68119199       0.33020452       1.24457573
Cr      -0.00302000       4.94810000      25.41515000       0.11559629      -0.50591860      -1.28155726
Cr       1.43262000       4.35633000       6.32886000      -1.14352999       0.15101283      -1.26999002
Cr      -1.60480000       4.39133000       6.21715000       2.00249263      -0.44496505      -0.02141234
Cr      -0.12816000       1.88996000       6.19758000      -0.26269418       0.42663843       0.79107055
Cr       5.75975000       0.16415000      18.26988000       1.84191643      -0.48166237       0.41191519
Cr       3.09148000       1.62148000      27.69917000       0.18406621       0.40219051       0.66918630
Cr      -0.05838000       3.40499000       8.68542000      -1.21659333      -0.29313166       0.60567169
Cr       5.77610000       0.11193000       3.94591000      -0.21365642      -0.75177804      -2.44364539
Cr       3.11174000       1.70076000      13.53339000      -1.54526699      -0.78588438      -0.49236058
Cr       0.05489000       3.39624000      22.97236000       0.90530627      -0.34396821       0.07182423
Cr      -0.03577000       1.76473000      20.69008000       1.34229248       1.85529834      -0.80625334
Cr       1.57125000       4.38575000      20.66958000      -2.83357135      -2.07140732       0.45488374
Cr      -1.45710000       4.41476000      20.66737000       0.18027922      -0.90711536       0.34378064
Cr       2.94880000       3.48798000       1.40681000       0.58945267      -0.22094728       1.51174104
Cr       1.36903000       1.00836000       1.51159000       1.99805184      -2.43431978      -0.30242200
Cr       4.52573000       0.90524000       1.48868000      -3.32478992       0.55721675      -0.24584545
Cr      -0.10992000       4.92155000      11.22089000       1.35093409       1.62095587      -0.79921028
Cr       4.47339000       2.42416000      11.16493000       0.56107506      -1.28938307      -1.24796118
Cr       1.63318000       2.45306000      11.15648000      -3.65118483      -0.15869243      -0.67451306
O        1.31593000       0.81771000      19.50122000      -0.46255491       1.04040761      -0.62736354
O        4.43057000       0.92860000      19.60338000       1.14368173      -0.65057759      -0.76461039
O        3.01317000       3.65033000      19.50040000      -0.77591601       0.65143805      -0.40959184
O       -1.47308000       2.70399000       0.37775000      -1.63151823      -2.35553126      -0.08945478
O        1.76829000       2.41958000       0.26181000      -1.35417334       1.04105279      -0.84711438
O        3.03004000       0.11851000       0.37995000      -0.39364738       0.33366868      -0.61398180
O        1.22849000       4.08038000       9.96428000       0.67196410      -0.29106524       0.35384380
O       -1.40497000       4.06701000       9.98644000      -0.69694712      -0.12190729      -0.08281139
O       -0.01127000       1.71380000       9.91087000       0.27023941       0.51513683       0.02653702
O        1.66757000       0.83306000      12.41110000      -0.33174607       0.22000384      -0.29470939
O        4.31143000       0.67748000      12.35672000       0.58209980       0.99374082      -0.42060773
O        3.00262000       3.16797000      12.28924000       0.83730968       0.98746018       0.20738185
O       -1.28342000       2.75610000      21.74520000      -1.54494462      -1.02474982       0.99969787
O        1.40508000       2.72269000      21.76412000       0.67848752      -0.47147344      -0.22033265
O        0.00365000       4.98458000      21.89491000       0.73981542       1.41716008      -0.42345612
O        1.54887000       4.34537000       2.57474000       0.11377587       0.38031673       0.61833780
O       -1.69432000       4.40535000       2.75628000      -0.15019340       0.86048686      -0.80932724
O       -0.04936000       1.70256000       2.65448000       0.18939557       0.06603907       0.54519660
O        1.14520000       0.98716000       5.09181000       1.31923742      -0.41503314       0.05511412
O        4.36446000       0.89070000       5.13051000       0.85917007      -0.34877062       0.38864650
O        2.98377000       3.60265000       5.07544000      -1.75373882       0.29502692       0.32925876
O        4.21285000       2.58433000      14.90718000       1.03646190      -0.37315927      -0.17493367
O        1.66069000       2.44472000      14.69206000      -0.24556767       1.10343925       0.22973694
O        2.99553000       0.16460000      14.70013000      -0.00724059      -0.94979909       0.93825015
O        1.34712000       4.19264000      24.26651000       0.74418000      -0.70990548      -0.47021770
O       -1.33839000       3.94795000      24.14530000      -0.01821261       0.59628874       1.90110731
O        0.17354000       1.76394000      24.25439000       0.30952150      -1.35444621      -1.66453283
O       -0.01656000       0.13219000      21.69160000       0.48261297      -0.42114130       0.52356222
O        2.91741000       1.76279000       2.36847000       0.43488216       0.14322945       1.92599660
O        0.04427000       3.28650000      12.13974000      -0.14123386      -1.03133636       1.60829430
O       -0.02565000       0.08929000       7.25608000      -0.89027847       0.66960973       0.81204731
O        2.74700000       1.77677000      16.96154000       0.93016548      -0.74055069      -1.12493410
O        0.06728000       3.16918000      26.39081000       0.90931526       0.70002500      -1.20534141
O        5.80352000       0.02079000       0.36555000       1.45093612       0.74159024       0.15336116
O        2.93914000       1.54264000      10.06912000       0.63534517       0.18435655       0.12553612
O       -0.09785000       3.49116000      19.65075000       1.36366200       0.01897279      -0.11421082
O       -0.00873000       1.59933000      16.92049000      -0.48770787       0.76451500       0.33954336
O        1.44109000       4.42480000      17.05393000       1.21484513      -0.22432289       0.22866411
O       -1.67204000       4.52427000      16.89862000       0.04831238      -1.69923893       2.19394420
O        3.13096000       3.25541000      26.45696000       0.00128468      -2.71935836      -1.10015847
O        1.72476000       0.88655000      26.39808000      -0.46248216       0.21910065       0.87582914
O        4.38522000       0.65872000      26.41096000      -0.35477623       0.91919653       0.76302499
O       -0.17748000       5.06982000       7.33077000       1.36679501      -0.38162629       0.74739070
O       -1.43236000       2.79906000       7.35177000      -0.46342169      -0.69476479       0.36369824
O        1.30874000       2.78305000       7.45762000      -0.47409752      -0.45822226      -1.05843215
Zn      -2.81856000       4.99990000      27.05712000       0.31416300       0.69944801       0.56615852
Zn       2.78933000       1.75352000       8.08537000       0.92988046      -0.13229000       0.41126452
Zn      -0.05465000       3.54986000      17.77802000      -1.08191229      -0.74952516      -0.67386798
Zn       3.00963000       4.89057000      23.56734000       0.11204616       0.73122394       0.49570038
Zn       2.81623000       1.76178000       4.39191000      -0.16892217       0.30055449      -0.54482642
Zn      -0.00658000       3.33915000      14.39161000       0.27535645       0.25887461      -1.47142408
Zn       3.00480000       4.96198000      13.27685000      -0.25612172       0.50871949      -0.10914887
Zn       3.32662000       1.67095000      22.97504000      -1.02463683      -0.17047975      -0.68056509
Zn      -0.07762000       3.59245000       3.59088000       0.10729883      -0.22910170       0.13956561
Zn       2.76132000       4.88214000       9.21414000       1.19123400       1.20204171       0.54092497
Zn       2.92831000       1.79022000      18.82120000      -0.73334385       0.27040371       0.97994176
Zn       0.07160000       3.32009000      28.23826000       1.32722933       1.21683682       1.29910621
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.7592815 magmom=72.0076268 free_energy=-553.7592815 stress="-0.035775147094194826 -0.0011925525221095526 0.0029158741735148407 -0.0011925525221095526 -0.03166260273768689 0.004472689575523733 0.0029158741735148407 0.004472689575523733 -0.03922084067025228" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40665000       0.83176000      15.75100000      -1.07363157       0.05585844       1.77947102
Cr       4.37056000       0.82536000      16.01985000      -0.19415095       0.56043997      -1.82821799
Cr       2.82063000       3.47291000      15.89710000       0.59903410      -0.58350684      -0.01219942
Cr       4.43577000       2.39326000      25.36390000       2.39760867       0.60730521      -2.42338243
Cr       1.70117000       2.55286000      25.33027000      -3.65599046      -1.06740453      -1.70508466
Cr      -0.10155000       5.03290000      25.31243000       1.02466648       0.22743180      -0.29142078
Cr       1.46200000       4.36791000       6.20480000      -0.82792931       0.59997897       0.72953272
Cr      -1.40809000       4.40327000       6.13621000      -1.77724243       0.14349760       0.53833375
Cr      -0.07543000       1.90489000       6.21783000      -0.01744995      -0.71961053      -0.75367031
Cr       5.79159000       0.17573000      18.46611000       0.12637899      -1.07096371      -5.61514032
Cr       3.15690000       1.66335000      27.61742000      -2.45534777       0.93122353       2.90173082
Cr      -0.18998000       3.42054000       8.68603000       2.27328879       0.23935027       0.56990205
Cr       5.77110000       0.08263000       3.77820000       0.88045186       1.10902503       0.48103352
Cr       3.07408000       1.65235000      13.49381000      -1.17774867       1.30560533       0.41111623
Cr       0.00971000       3.33332000      23.03858000       0.82653627      -0.29499950      -0.11381747
Cr      -0.03746000       1.79029000      20.67586000       0.40346948      -1.05874618       1.25821822
Cr       1.53261000       4.23597000      20.74238000      -1.13773751       1.38994378      -0.85205078
Cr      -1.37282000       4.30451000      20.73176000      -3.31460652       0.93291383      -0.85882165
Cr       2.99660000       3.50016000       1.40774000      -1.91561681      -0.34375653       0.59141709
Cr       1.50525000       0.91561000       1.43951000      -0.14380831       0.61851132       0.72870294
Cr       4.47665000       0.94494000       1.40048000      -0.73758221       0.31479498       1.23746135
Cr      -0.02947000       4.97076000      11.33359000      -0.60473351      -0.75730852      -2.83260770
Cr       4.50592000       2.40615000      11.08216000      -0.78327631       0.21044056       1.42537972
Cr       1.50799000       2.47300000      11.15348000       0.74254416       0.40600764       0.26579693
O        1.29885000       0.81708000      19.50555000       0.86398822       0.66426536       1.45595372
O        4.47164000       0.94805000      19.61852000      -1.06291535      -0.46133403      -0.07814266
O        2.97679000       3.75527000      19.51150000      -0.07130015      -2.44979655       1.00087384
O       -1.57584000       2.74409000       0.31313000       1.20214894      -2.19366373      -1.25940925
O        1.67879000       2.50144000       0.27012000       1.79010448      -0.64312445      -0.34256380
O        2.99700000       0.24245000       0.29274000       0.43943765      -1.20243477      -0.21881014
O        1.23390000       4.21488000       9.98720000       0.30926058      -1.68797476      -0.29791781
O       -1.37766000       4.11018000      10.01081000      -1.06205889       0.00362340      -0.21020305
O        0.08913000       1.78615000      10.03261000      -0.30721346      -0.47262682      -1.81230884
O        1.62862000       0.82314000      12.35927000      -0.33230806       0.90511427       0.27571389
O        4.24836000       0.73792000      12.27628000       2.29780495       0.85629680       1.09100076
O        3.16135000       3.31434000      12.29426000      -1.22277909      -1.62390788      -0.22509939
O       -1.43407000       2.64486000      21.85294000       1.17264444       0.59620295      -0.85476729
O        1.37169000       2.67220000      21.77457000       0.49212697      -0.87482440       0.64691582
O       -0.03384000       4.90706000      21.90086000       1.32486554       1.39467050       0.45873336
O        1.60440000       4.35055000       2.53216000      -1.35776780       0.55917453      -0.15557900
O       -1.78437000       4.44595000       2.56930000       2.75131237      -0.11295617       0.97489224
O       -0.07829000       1.70382000       2.62805000       0.53797582      -0.02317647      -0.60038847
O        1.26106000       0.97634000       5.12872000       0.62426132      -0.51087865      -0.86560391
O        4.55802000       0.87395000       5.06255000      -1.50217170       0.79116265      -0.00400096
O        2.81768000       3.72489000       5.01857000       1.45848713      -1.30164981       0.35577517
O        4.22128000       2.49597000      14.91685000       0.88079131       0.07150564      -1.13044748
O        1.58848000       2.44420000      14.66644000       0.48388159       0.33252941       0.21098789
O        2.91251000       0.17704000      14.79207000       0.76269595      -1.19914034      -0.35680755
O        1.35901000       4.15692000      24.30314000      -0.36931273       0.16292147      -0.77049380
O       -1.41628000       3.96695000      24.22740000      -0.35289311       1.35252269       0.03695134
O        0.27781000       1.77510000      24.15375000      -1.31687695      -1.06069574       0.71051248
O       -0.05668000       0.14456000      21.66221000       0.89389147      -1.24335306       0.53246490
O        2.89093000       1.79239000       2.49859000       1.08260461      -0.15090757      -0.58477314
O        0.01904000       3.22135000      12.29262000       0.21577407       0.29361384      -0.60059397
O       -0.07059000       0.23518000       7.18928000       0.65632351      -1.50624008       0.99909785
O        2.90701000       1.71709000      16.82839000      -1.31010871       0.20531755       2.13884374
O        0.02711000       3.34680000      26.21879000       0.36494078      -0.46933471       2.13153146
O        0.09327000       0.11623000       0.36747000      -1.00333585      -0.09382139      -0.40249592
O        3.06980000       1.51198000      10.02330000      -1.00999583       0.98773109       1.38590563
O       -0.05464000       3.37607000      19.70795000       0.97019058       1.62167605      -1.00823325
O       -0.05970000       1.63511000      16.91982000       0.52422618      -0.21581179       1.31663518
O        1.50406000       4.32813000      17.12097000       0.14729541       0.39711746       0.41325354
O       -1.78110000       4.39452000      17.02042000       0.84666344       0.16984967       0.66917997
O        3.03425000       3.18193000      26.41522000       1.34967470       1.70449096       1.10305978
O        1.66130000       0.96479000      26.44979000       0.37523366      -0.60305419       0.11360162
O        4.34986000       0.81863000      26.39701000       0.15082290      -1.19054825       0.10826362
O        0.00408000       5.02303000       7.40641000      -0.86300273      -0.11303704      -0.47606174
O       -1.46587000       2.70851000       7.29950000      -0.44214641       0.83085530       0.23421142
O        1.19095000       2.81631000       7.36491000       1.37933827      -0.91531822       0.47197467
Zn      -2.85441000       5.09323000      27.04968000       0.08623102      -0.23243495       0.17176714
Zn       2.88942000       1.71318000       8.16851000      -0.42637219       0.39702261      -0.86566383
Zn      -0.05021000       3.39072000      17.79469000      -0.95055099       0.39991953      -1.27400541
Zn       2.84800000       4.92440000      23.51450000       1.54698840       1.11837542       0.50487572
Zn       2.88293000       1.80586000       4.44196000       0.28514874       0.10885888       0.14860986
Zn      -0.01572000       3.39341000      14.31959000      -0.61193910      -0.13268550      -0.79837660
Zn       3.02453000       4.96180000      13.39188000      -0.18815062       0.40666080      -0.25175343
Zn       3.40703000       1.58579000      22.92531000      -2.18510216      -0.86309254       0.63066687
Zn      -0.10975000       3.46313000       3.66681000       0.13964602       0.18771340      -0.30881531
Zn       2.81528000       4.86284000       9.12168000       0.63719212       0.99769169       0.97921203
Zn       2.77429000       1.77783000      18.85788000       1.28417970       0.74455401      -0.50891893
Zn       0.19488000       3.33093000      28.32612000      -1.83697748       1.53035404      -0.64091344
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.32126921 magmom=72.0015479 free_energy=-552.32126921 stress="-0.029103784217446 -0.006509626862981123 0.00046397229266073185 -0.006509626862981123 -0.034763563590254586 -0.004540892518059143 0.00046397229266073185 -0.004540892518059143 -0.035487694441334344" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37640000       0.87438000      15.96099000       0.94294407      -1.78292437      -0.52406216
Cr       4.32942000       0.84714000      16.06430000       0.52095113      -0.59691464      -1.19213005
Cr       2.80918000       3.43681000      15.77112000       2.52215269       0.67709789       2.91104930
Cr       4.32542000       2.55999000      25.31345000       3.11539241      -1.31949668      -0.27048850
Cr       1.57525000       2.55477000      25.37939000      -1.70874797       0.23310113      -0.40757895
Cr       2.82366000       0.03312000      25.23821000       2.06460299      -0.44908603       1.53142172
Cr       1.44110000       4.40142000       6.12333000       1.02699556      -0.84039872       1.23263539
Cr      -1.30335000       4.41311000       6.09162000      -3.22664392      -1.17694750       0.70671326
Cr      -0.02743000       1.87657000       6.21244000       0.22245305      -1.41241689      -0.49709886
Cr       5.81742000       0.13088000      18.45433000       0.36474254      -2.72449349      -0.41704299
Cr       3.11834000       1.74868000      27.62480000      -1.30325349      -1.63359694      -1.44153900
Cr      -0.19251000       3.44954000       8.71729000       2.21297907      -0.98845436      -1.11041789
Cr       5.82015000       0.10109000       3.62313000       1.25806813       0.15630263       2.66805509
Cr       2.96975000       1.66736000      13.46930000       1.07501918      -0.36246342       1.23431269
Cr       0.01975000       3.24925000      23.08694000      -0.59732473       1.09209403      -1.71506717
Cr      -0.01211000       1.73742000      20.66498000      -0.99985605      -0.18819974       1.63259582
Cr       1.44961000       4.16569000      20.75245000       2.03412850       1.90919838       0.47675826
Cr      -1.46088000       4.24877000      20.74636000       0.97094882       0.24895685      -0.57296171
Cr       2.96920000       3.49277000       1.43963000       0.84060998       0.97095354      -0.50921499
Cr       1.65026000       0.84658000       1.39354000      -1.91362931       1.64336759       0.29744670
Cr       4.36493000       1.00334000       1.33470000       3.40926941      -2.01613299       1.35786279
Cr       0.04565000       5.01004000      11.29883000      -0.54643077       0.52094123      -1.16768031
Cr       4.50760000       2.39994000      11.07679000      -0.20494787       1.29687460       1.58383981
Cr       1.40275000       2.50274000      11.16097000       2.67083096      -0.55125742      -0.36303755
O        1.34493000       0.85335000      19.73290000      -0.38100467      -1.34889024      -1.78868848
O        4.37489000       0.86567000      19.57815000       1.17010775      -0.24756029      -0.04044692
O        2.92640000       3.51694000      19.64358000       0.47532829       1.46891551      -0.64435007
O        4.37213000       2.43931000       0.14727000       1.76570024       2.95322443       1.17629431
O        1.86832000       2.48932000       0.21431000      -1.97856288       0.59154739       0.93325757
O        3.00262000       0.16089000       0.19082000       0.26303128      -0.03379295       0.36090169
O        1.24321000       4.04050000       9.98400000       0.49592939       1.64430615      -0.52719977
O       -1.48324000       4.10030000      10.00676000       0.71437116       0.38532640       0.18653863
O        0.09049000       1.84325000       9.87376000      -1.17110647      -1.13538066      -0.43009438
O        1.61757000       0.96828000      12.30364000      -0.45875993      -2.09496759       0.74926111
O        4.45849000       0.93791000      12.34632000      -0.70281047      -2.12111253       0.26711527
O        3.09244000       3.12932000      12.26162000      -0.99776079       1.59804585       0.46811655
O       -1.33321000       2.63799000      21.81562000      -0.45072306      -0.61181574       0.38851609
O        1.35318000       2.54208000      21.85478000       0.16750999       0.06831291       0.10953371
O        0.13107000       4.99207000      21.92442000      -1.29163827      -1.34682450      -0.15529702
O        1.51530000       4.50006000       2.47332000       0.23055694      -1.43066887       0.21463021
O       -1.49915000       4.45619000       2.52720000      -0.73081327      -1.44751016       1.01602669
O       -0.00380000       1.63767000       2.49140000       0.46974044       1.22603432       0.20186021
O        1.45157000       0.83056000       5.03619000      -1.27484566       1.17446138      -0.54961237
O        4.57278000       0.94237000       5.01925000       0.13053406      -0.36182450      -0.14674246
O        2.88402000       3.71792000       5.04102000       0.91222432       0.09745368      -0.82361032
O        4.32925000       2.37509000      14.75087000      -0.80328433       0.42889052       0.92033466
O        1.61826000       2.46927000      14.70892000      -1.32819571      -0.70100788      -0.22722372
O        2.93409000       0.07245000      14.89163000      -0.48572286       1.02979262      -0.06225712
O        1.27002000       4.07902000      24.21156000       0.72592585       0.84150958       0.64320151
O       -1.50210000       4.20977000      24.34526000      -0.05091501      -0.62362977      -1.75462237
O        0.11976000       1.66658000      24.17877000      -0.69801201       1.15562143       1.38509188
O       -2.89985000       5.03197000      21.64303000      -1.14419327       1.08826941       0.62120222
O        3.06178000       1.81598000       2.48915000      -0.92633030       0.34996005      -0.00497185
O        0.02822000       3.23726000      12.25605000      -0.52326479       1.38588426      -0.27343212
O       -0.02806000       0.14408000       7.22448000       0.20000919      -0.14914316      -0.90447788
O        2.85731000       1.69223000      16.94849000      -0.48157025       0.71372582      -0.02414073
O        0.05071000       3.46595000      26.33326000      -0.46752702      -0.79233529       0.15182019
O        0.11017000       0.18919000       0.39707000      -0.65241878      -1.27798118      -0.38452405
O        2.99569000       1.65509000      10.24598000      -0.90719877      -1.26226274      -2.52943092
O        0.13214000       3.48676000      19.66111000      -2.37734978      -1.29055948      -0.63546969
O       -0.02478000       1.55466000      17.08476000      -0.43224156      -0.43687808      -0.30179610
O        1.66286000       4.31845000      17.16078000      -1.54356449       0.01076109      -0.84858774
O       -1.76637000       4.26646000      17.24166000       0.84449837       0.81739676      -1.69684011
O        3.07339000       3.33043000      26.46654000      -1.18363905      -0.22718341       0.00217308
O        1.66518000       0.97493000      26.48471000       0.16018601       0.15067615      -0.24714072
O        4.31073000       0.80149000      26.37488000      -0.22256765       1.11879344      -0.72228416
O        0.03150000       4.90652000       7.38370000      -0.28966830       2.03458569       0.48144831
O       -1.48199000       2.77661000       7.27928000       0.54465035      -0.45629935       0.43107539
O        1.28417000       2.70241000       7.30854000       0.65524298       0.50524705       0.76335863
Zn       0.06395000       0.07740000      27.05231000      -0.12810997       0.06058729       0.27619784
Zn       2.97518000       1.69364000       8.21383000      -0.57204989       0.20830414      -0.45376944
Zn      -0.10200000       3.25626000      17.75876000      -0.06644121       2.48820430       0.19232519
Zn       2.75782000       5.01463000      23.49887000       0.97446500      -0.16852286       0.69092818
Zn       2.96591000       1.86006000       4.49404000      -0.10866709       0.21728706      -0.51774635
Zn      -0.05161000       3.43763000      14.19883000       0.03053424      -0.79332538      -0.36227870
Zn      -2.86664000       4.98418000      13.50445000      -0.15282109       0.36249713      -1.05430073
Zn       3.37705000       1.46386000      22.91255000      -1.28885708       1.18505198       0.18152889
Zn      -0.13604000       3.33879000       3.73755000       0.33114951       0.39247525      -0.89339934
Zn       2.90857000       4.89981000       9.07737000      -0.45546593       0.59248529       1.43828658
Zn       2.68716000       1.80746000      18.88151000       1.64044553      -0.22927769       0.14181258
Zn       0.24991000       3.42106000      28.38565000      -0.92529361      -0.46298472      -0.83247225
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.6241783 magmom=72.0000096 free_energy=-552.62475677 stress="-0.02800926382735044 -0.0030079595267053848 0.0017824365259892826 -0.0030079595267053848 -0.039774510233572376 -0.0033255873046877504 0.0017824365259892826 -0.0033255873046877504 -0.036906284676950896" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38799000       0.80847000      16.17014000       0.78975804       0.27235561      -3.89608771
Cr       4.33199000       0.82864000      16.05899000      -0.23998619      -0.18626634      -0.53699455
Cr       2.92905000       3.43587000      15.80525000      -0.78120603      -0.32901008       1.00473962
Cr       4.35411000       2.66458000      25.31129000      -1.72680884       1.48134708       0.93108268
Cr       1.32746000       2.55396000      25.43538000       2.01270104       1.39251938      -0.41327916
Cr       2.90977000       0.12862000      25.26292000      -0.58715103      -2.36719916      -1.32624692
Cr       1.46877000       4.38686000       6.12748000       0.46989785      -1.20989476       0.18109945
Cr      -1.37899000       4.36743000       6.09232000       0.21094641      -0.10616456       0.35423846
Cr       0.04689000       1.77181000       6.18235000       0.73300735       0.57619327      -0.13077279
Cr       2.89858000       5.05239000      18.44804000      -0.56414068      -1.37776252      -0.85351617
Cr       3.04011000       1.77509000      27.56504000       1.33326525       0.92053573       1.90671304
Cr      -0.04486000       3.43451000       8.67817000       0.49407684      -0.16599649      -1.39131185
Cr       0.04642000       0.14123000       3.61495000       0.46966502      -0.47722018       0.30004553
Cr       2.90466000       1.66648000      13.52163000       0.08211554      -1.69392955       1.01692125
Cr       0.00848000       3.22311000      23.04073000      -0.90947513       1.88009927       0.96271841
Cr      -0.03735000       1.60699000      20.68086000       0.26910419       1.52847777       0.68557892
Cr       1.46617000       4.20758000      20.73301000      -1.61967702      -1.39145259       0.13639729
Cr      -1.52458000       4.19937000      20.71035000       2.84746522      -0.82248280       1.96250712
Cr       2.96933000       3.53692000       1.44810000       1.93808383      -0.45698009      -0.26541590
Cr       1.68474000       0.85883000       1.36423000      -2.07816305       0.25546800       1.37253720
Cr       4.43160000       0.97238000       1.30266000       2.91173966       0.14360469       0.97176627
Cr       0.08475000       5.08637000      11.17107000      -0.89899698       0.59987227      -0.99936082
Cr       4.45993000       2.46225000      11.17552000      -1.03396150       0.15907427      -1.22363524
Cr       1.43984000       2.49563000      11.15261000      -0.73433595      -0.61654806      -1.13729465
O        1.33123000       0.67307000      19.68144000       0.01270564       0.87648404      -1.84134939
O        4.44619000       0.72632000      19.55654000       0.07865231       0.21169088      -0.15871731
O        2.95272000       3.49682000      19.70171000      -0.55963889      -0.02091889      -1.65477092
O       -1.25927000       2.52875000       0.13991000      -3.57897574      -0.96596014       0.18742597
O        1.83398000       2.51779000       0.31248000      -0.88464794      -0.23992350      -1.15901046
O        3.04395000       0.17361000       0.20780000       0.23426512       1.27741367      -0.73512422
O        1.32380000       4.08385000       9.91371000       0.52502380       0.50914031       0.47045035
O       -1.40077000       4.10175000      10.02618000       0.38949149       0.29702578      -0.41175700
O       -0.14608000       1.75516000       9.66212000       0.28048607       0.32981448       2.04934119
O        1.59539000       0.81775000      12.34597000      -0.22639122      -0.08695386      -0.07072272
O        4.48861000       0.84812000      12.41865000      -1.32363940       0.23279631      -0.57436855
O        2.83617000       3.11738000      12.28834000       1.41596099       1.22076813       0.28780577
O       -1.23750000       2.59130000      21.78351000      -2.67059583      -1.44753837       0.30736716
O        1.30080000       2.45579000      21.93187000       1.43134175      -0.32749712      -1.36712453
O        0.07849000       4.79881000      21.89689000      -0.83721337       1.20860965      -0.46887202
O        1.58000000       4.45970000       2.44124000       0.40415011      -0.26970246       1.19191060
O       -1.35565000       4.30460000       2.61830000      -1.66448643       1.08080254      -0.63007831
O        0.14639000       1.67910000       2.37892000      -0.35586942      -0.08312376       1.26108017
O        1.39962000       0.83309000       4.89281000       0.56455455       1.20965570       1.05709820
O        4.63179000       0.90311000       4.96862000      -0.36401915      -0.13813645       0.30796556
O        3.12447000       3.75749000       4.93434000      -1.74145258      -0.53015712       0.25320079
O        4.26420000       2.33188000      14.75527000       0.64637668       1.51446573       0.64790010
O        1.52036000       2.37340000      14.78990000      -0.43895948       0.88179345       0.02818735
O        2.88180000       0.16729000      14.97551000      -0.32239650      -1.07152508      -1.02938069
O        1.23207000       4.10597000      24.23537000       0.59354815       0.40703919       0.21872272
O       -1.48977000       4.33798000      24.19103000       0.78858736      -0.82915598       0.06226383
O       -0.17426000       1.82583000      24.44509000       1.92044966      -1.45339144      -2.54116767
O        2.90397000       5.00104000      21.68658000       0.17679656       0.89699267       0.25977840
O        3.09724000       1.87620000       2.36540000      -0.62058284      -1.00768218       1.67731819
O       -0.02223000       3.47820000      12.07737000       0.19692530      -2.11978567       2.02558806
O       -2.89615000       5.10800000       7.08231000      -0.19649150       0.66987442       1.38747042
O        2.71278000       1.79451000      17.04024000       2.05654259       0.14410213      -0.40539374
O       -0.00508000       3.43083000      26.42791000      -0.81549572       0.86712756      -0.51442691
O        0.00718000       0.03557000       0.39575000       1.13869961       0.66109751      -0.87905994
O        2.80961000       1.62588000      10.11030000       1.51007957       0.13918897       0.44556467
O       -0.02476000       3.41415000      19.63067000       0.18627508      -0.85528332       0.09522694
O       -0.06923000       1.39580000      17.20182000      -0.67842138       1.52451536      -0.03714003
O        1.61278000       4.29666000      17.02575000      -0.58161316      -0.56460306       0.65352494
O       -1.64500000       4.29438000      17.12521000      -0.50516504      -0.81309643       0.02890681
O        2.94878000       3.46336000      26.47775000      -0.71715554      -1.78405765      -0.79458049
O        1.68181000       0.98332000      26.43001000      -1.07121735      -0.06037316       0.88193024
O        4.26138000       0.94972000      26.23431000       1.00006759       0.62894162       1.79332792
O       -0.02410000       5.06903000       7.37681000       0.91953701      -0.66465301      -0.30031666
O       -1.31287000       2.78896000       7.31209000      -0.30729363      -1.02748928      -0.15088209
O        1.44414000       2.67384000       7.34541000      -0.85158915       0.70487160      -0.30758990
Zn       0.01858000       0.18998000      27.07293000      -0.35846936      -0.27787279       0.20076304
Zn       3.03785000       1.68908000       8.23033000      -0.10582914       0.92556672      -1.29411240
Zn      -0.16287000       3.23523000      17.71324000       0.98455344       0.96157448       0.25065210
Zn       5.67257000       0.00385000      23.53228000       0.81912613      -0.08770295       1.63692544
Zn       3.04757000       1.92400000       4.52788000      -0.76938066      -0.95709734      -1.33564532
Zn      -0.09360000       3.44920000      14.05393000       0.40845299      -0.17688513       0.69640547
Zn      -2.86409000       5.02748000      13.58546000      -0.31419965       0.41638886      -0.99897311
Zn       3.25777000       1.37908000      22.92731000      -1.07720471       1.11250201      -0.22859341
Zn      -0.14414000       3.22605000       3.78412000       0.66959417       0.65917254      -1.09921988
Zn       2.98876000       4.97518000       9.10064000      -0.25673726       0.11649512       0.34461777
Zn       2.69237000       1.82770000      18.91440000       0.89281948      -1.31020591       1.07537405
Zn       0.24629000       3.49362000      28.40080000       0.56214496      -0.52377951      -0.40814603
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.82971121 magmom=72.0015927 free_energy=-550.82971121 stress="-0.03725488019554055 0.0018279999545478328 -0.00022409578028964334 0.0018279999545478328 -0.04681636594631303 0.0020993168083557148 -0.00022409578028964334 0.0020993168083557148 -0.04387785551064758" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43115000       0.76416000      16.19826000      -0.88483116       2.78394771      -2.50928721
Cr       4.33820000       0.78459000      16.02939000      -0.11157509       0.29486459      -0.41958015
Cr       3.00235000       3.43878000      15.91357000      -4.22514998      -0.59118226      -1.70832338
Cr      -1.62236000       2.81341000      25.39848000      -0.16683518      -0.70846512      -3.20268757
Cr       1.19612000       2.61216000      25.50747000       0.96176694      -1.00722655      -2.03820561
Cr       2.98118000       0.14438000      25.27405000      -1.63505177       0.30874872      -0.01475974
Cr       1.52696000       4.30479000       6.15673000      -0.05131318       0.89941106      -1.67970720
Cr      -1.44638000       4.29123000       6.12856000       2.57704739       0.10020663      -0.18543508
Cr       0.15765000       1.70506000       6.15250000      -1.28814658       1.44443416       0.13802036
Cr       2.89770000       4.82515000      18.41523000      -1.28513410       3.05052134      -3.74589154
Cr       3.03579000       1.85131000      27.55190000      -1.78039239       0.04051879       2.81804301
Cr       0.14476000       3.39651000       8.58354000      -1.64730285       0.57551138       1.29391845
Cr       0.19820000       0.15542000       3.65930000      -1.85875357      -0.39293933       1.68194689
Cr       2.84126000       1.58478000      13.64241000      -0.53712448       1.20313314      -1.35802725
Cr      -0.04854000       3.27963000      22.99715000       0.42405944      -0.90684797      -0.06328348
Cr      -0.06225000       1.52656000      20.68734000       0.46362314       1.35126239      -0.21083929
Cr       1.43415000       4.19661000      20.68369000      -1.32393748      -2.37851501       1.05650584
Cr      -1.46409000       4.10360000      20.70679000      -2.68801998      -0.27750394       0.03103498
Cr       3.06429000       3.53297000       1.43782000      -0.24556835      -3.17395398      -0.60189576
Cr       1.61090000       0.90397000       1.38776000       1.58486187       0.11833434      -0.20348153
Cr       4.65085000       0.94202000       1.30852000      -2.43918549       0.59215035       1.71377510
Cr       3.01761000       0.05205000      11.01054000      -0.39402444      -3.20028762       2.22303006
Cr       4.35500000       2.55573000      11.23590000       0.12784511      -0.10954540      -1.27229252
Cr       1.47455000       2.46175000      11.09802000      -2.04565484       0.83972158       0.79888329
O        1.36350000       0.56858000      19.35853000      -0.29825037      -0.27171573       2.05432128
O        4.51739000       0.61880000      19.54891000      -0.90127516       0.27162380      -0.61165305
O        2.92373000       3.45909000      19.61628000      -0.01679558      -0.65443770       1.40072131
O        4.36591000       2.54767000       0.18887000       1.17649650       1.06155513       0.01517344
O        1.65519000       2.52119000       0.30439000       1.24587980       0.05295023      -0.41081623
O        3.12474000       0.40999000       0.18302000      -0.01748645      -2.72369336       0.25235605
O        1.43702000       4.20520000       9.90269000      -0.07541199      -1.15184651      -0.11416669
O       -1.19035000       4.12941000       9.93601000      -1.60192656       0.40516279      -1.20192559
O       -0.33819000       1.78308000       9.77924000       2.22251000       0.32804987       0.36561347
O        1.58918000       0.65761000      12.36150000      -0.45237096       1.57524545      -0.38522316
O        4.19979000       0.81818000      12.34736000       0.93017771       1.38126408       0.49102243
O        2.78235000       3.23470000      12.31955000       0.81246336      -0.74006165       0.34715002
O        4.39905000       2.33834000      21.84505000       1.19014297       1.38911115      -0.28136075
O        1.36492000       2.40067000      21.81774000      -0.45986349       0.60615674       0.03562216
O       -0.10623000       4.72206000      21.76882000       1.60608169       2.10661815       0.54384791
O        1.82735000       4.39536000       2.56658000      -1.56060061       0.87889116      -0.36820021
O       -1.53804000       4.35945000       2.56812000       2.54027552      -0.17838939      -0.47886552
O        0.21739000       1.65806000       2.46538000      -1.11154497       0.97141149       0.23431981
O        1.41185000       1.02294000       4.93653000       1.68577255      -1.27814592       0.46233322
O        4.69022000       0.79354000       4.98751000      -0.66391431       1.03247253       0.09425134
O        3.08270000       3.76669000       4.89131000      -0.57091546      -0.88866623       1.26531042
O        4.23732000       2.49342000      14.88304000       0.93460741      -1.11523852      -1.39804334
O        1.38793000       2.38534000      14.87212000       0.84511082       0.08570221      -0.18124871
O        2.78995000       0.14267000      14.90491000       0.69272848      -1.03585493       0.22091750
O        1.26455000       4.18219000      24.32292000       0.35183318      -0.53014461      -1.27236376
O       -1.31023000       4.28048000      24.06906000      -1.50392413       0.77505430       1.18703394
O       -0.16599000       1.89066000      24.33429000      -0.04424417      -0.26719314       0.06820306
O        5.69887000       0.01594000      21.75227000       1.32597868      -2.21895394       0.09056750
O        3.02471000       1.78627000       2.43190000       1.03946979      -0.11171568       0.31313592
O       -0.05092000       3.42107000      12.09767000       0.85008967      -0.68434525      -0.69919292
O       -2.86007000       5.09304000       7.10058000      -0.15183747       0.37023897       1.84849577
O        2.87937000       1.85923000      16.99791000       0.36132403      -1.75652645       0.79022824
O       -0.19815000       3.54631000      26.39054000       0.62243084       1.01201540       1.41707351
O       -2.84664000       5.10099000       0.31101000       0.64871263       0.79776171       0.24047857
O        2.84762000       1.62618000      10.03010000       0.34876603       1.68494852       0.02359225
O       -0.19599000       3.16167000      19.67342000       1.68123915       1.04806640      -1.06233423
O       -0.21319000       1.41381000      17.26653000       1.30350090      -1.09717981      -0.74531342
O        1.46826000       4.18777000      16.97336000       0.57382044       0.38732563       1.17207165
O       -1.61814000       4.17779000      16.98756000      -0.22036156       0.93271818       2.12124614
O        2.68177000       3.31188000      26.33190000       1.61409099       2.41399598       1.62487900
O        1.56069000       0.96539000      26.45899000       1.07340215       0.25210077      -0.43458325
O        4.33898000       1.16031000      26.34725000      -0.60206049      -1.25534930      -0.00187016
O        0.07885000       5.07880000       7.25274000      -0.18842724      -0.71171008       0.45970957
O       -1.13840000       2.64404000       7.27594000      -1.74252770       0.34687675       0.09324013
O        1.43283000       2.77054000       7.29043000       1.21939883      -1.64872501       0.30831995
Zn      -0.05130000       0.29773000      27.09941000      -0.31609147      -1.32289208      -0.45555032
Zn       3.09843000       1.73150000       8.18013000       0.36256843       0.30599298      -1.60067805
Zn      -0.17391000       3.27366000      17.67294000       1.64232275      -0.36190628       0.72097875
Zn       5.68536000       0.10176000      23.64783000       1.14954761      -0.54135320       0.27898471
Zn       3.09704000       1.94080000       4.50034000       0.13486099      -1.59138425      -1.22533699
Zn      -0.11810000       3.44822000      13.94474000       0.46871153      -0.35473416       1.90259440
Zn      -2.87950000       5.09279000      13.63173000      -0.41308132      -0.02054965      -0.99193033
Zn       3.06894000       1.35667000      22.93780000      -1.03711894       1.06927244      -0.34047590
Zn      -0.11912000       3.14396000       3.79491000       0.49183858       1.18065511      -0.65695849
Zn      -2.83931000       5.06640000       9.16129000       0.20204550      -0.00545971       0.61442201
Zn       2.75363000       1.77397000      18.98770000       1.00592285      -1.97782110      -0.47111921
Zn       0.23949000       3.53674000      28.38874000      -1.93529493       0.91645671      -0.21046586
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.32442117 magmom=72.00257 free_energy=-552.32442117 stress="-0.03799623426011735 0.005870768470771585 0.002778481200017271 0.005870768470771585 -0.030139581468794828 -0.007827691209061488 0.002778481200017271 -0.007827691209061488 -0.03266349230203422" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40988000       0.85748000      16.08853000       0.49525882      -1.55078879      -0.28957412
Cr       4.35592000       0.74129000      15.98722000       0.29719147      -0.08895290      -1.67320709
Cr       2.86541000       3.41291000      15.97011000       0.60604157      -2.00282996      -1.88436396
Cr       4.14210000       2.90053000      25.41811000       1.54968189      -0.87719396      -1.56621480
Cr       1.18069000       2.62521000      25.49868000       0.91564884       1.53150796      -1.29300471
Cr       2.95488000       0.18889000      25.29933000      -0.15824616      -0.26445652      -0.79955704
Cr       1.57381000       4.26577000       6.11621000      -0.28212731       1.03575319       0.90700533
Cr      -1.36482000       4.22392000       6.17275000      -0.00084870       1.22246585       0.19759656
Cr       0.19724000       1.73208000       6.13942000      -0.70355804      -0.28911545       1.02646833
Cr       2.83391000       4.77956000      18.23453000      -0.16575824       2.15201210       5.05581838
Cr       2.96947000       1.93476000      27.60905000      -0.48070624      -1.55142588       1.15457336
Cr       0.23011000       3.38019000       8.56169000      -1.77801630      -0.11442976       0.42708779
Cr       0.24675000       0.12375000       3.78380000      -0.56265181      -0.66095959      -0.06113732
Cr       2.75573000       1.56350000      13.67116000       1.18191118       1.80265824      -2.34245826
Cr      -0.08839000       3.31578000      22.94899000       0.32139131       1.05076069      -0.84004196
Cr      -0.06302000       1.49198000      20.66726000      -0.44003356      -1.49812018      -0.30633320
Cr       1.35185000       4.07817000      20.65498000       0.91009861       0.77647762       0.14572394
Cr      -1.52619000       4.01225000      20.69003000      -1.10901157       0.86670024       0.33135545
Cr       3.13311000       3.38160000       1.42012000      -1.58521330       3.16575071       1.92436994
Cr       1.62966000       0.96661000       1.40627000       1.65970698      -0.94582179       0.20467277
Cr       4.72391000       0.94413000       1.39379000      -2.83280200      -0.55346554      -0.26029422
Cr       0.02555000       5.08635000      10.97088000       0.11762269       0.60355918       1.35218063
Cr       4.27664000       2.63807000      11.21612000       1.33458253      -0.73569501      -1.51891297
Cr       1.41521000       2.48068000      11.08785000       1.30135961      -0.54436576       0.36288619
O        1.29645000       0.43315000      19.42772000      -0.29652160       0.96952902       0.36935371
O        4.42961000       0.56453000      19.48135000       0.79355362      -0.23567478      -0.03830958
O        2.86951000       3.34958000      19.69487000      -0.28667599      -0.03426181      -1.88063802
O        4.27977000       2.62421000       0.22959000       3.08353776      -0.83943986      -1.00429296
O        1.69386000       2.52655000       0.24948000      -0.87069625       1.12012698       0.76772604
O        3.20160000       0.27297000       0.21044000      -0.25484318       1.77197289       0.67442288
O        1.45281000       4.10818000       9.91268000       0.08204991       0.87389553      -0.15526308
O       -1.19994000       4.22543000       9.67580000       0.27321981      -0.46768303       1.16990305
O       -0.10880000       1.92000000       9.97293000       0.50228820      -1.01082616      -1.28287658
O        1.54390000       0.81166000      12.30472000      -0.95010358      -0.45298257      -0.14005087
O        4.02257000       1.04348000      12.30241000       1.98924679      -1.68991316       0.19025731
O        2.87073000       3.17490000      12.38147000      -1.12802117       1.25430186       0.79808650
O        4.39984000       2.35119000      21.85261000       0.97945486       0.69358314       0.10655093
O        1.28657000       2.46589000      21.72077000      -0.27709238      -0.64127381       1.60557288
O       -0.06448000       4.90967000      21.70791000      -0.57727890      -0.63468856       0.74362855
O        1.89008000       4.50060000       2.59284000      -0.61992451      -0.85604138      -0.40555690
O       -1.42619000       4.43711000       2.44146000       0.56788290      -1.04748116       1.63115880
O        0.13166000       1.69264000       2.57675000       1.16769364       0.07371370      -0.11286619
O        1.62878000       0.93989000       5.12254000      -0.95797706      -1.66136502      -0.44660113
O        4.68591000       0.83690000       5.04938000       0.68073685       0.02714036      -0.29686311
O        2.96559000       3.67576000       5.05755000       2.27407615      -0.45542348      -1.26176122
O        4.26823000       2.47554000      14.83469000      -0.60770327      -0.66355411       0.05486935
O        1.46062000       2.41150000      14.92132000      -0.23511533       0.49556892      -0.22946084
O        2.81605000       0.01511000      14.87242000       0.16040456       0.37143073       0.31358507
O        1.26438000       4.15284000      24.23260000      -0.12319339       0.56314188       0.05429589
O       -1.33994000       4.31156000      24.18630000      -0.97842302       0.73531141      -0.24083673
O       -0.04650000       1.93059000      24.18240000      -1.09759650      -0.21554141       2.27606093
O        2.83823000       4.91170000      21.69929000       0.44719004       0.28522132       0.65496465
O        3.12404000       1.68273000       2.47792000       0.49366313       0.85423739      -0.35162542
O        0.02475000       3.22759000      12.02829000      -1.31105054       2.62345745       1.93582574
O        0.10926000       0.04453000       7.32269000       0.11941594      -0.26473355      -1.93590139
O        3.07946000       1.64722000      16.99814000      -2.32699832       0.64175082       0.58110180
O       -0.29872000       3.77689000      26.46543000       0.86328555      -1.96556139      -0.50771805
O        0.29395000       0.10894000       0.35059000      -1.30916000      -0.46565186      -0.15024260
O        2.95019000       1.82525000      10.05971000      -0.27689332      -1.48311290      -1.24166700
O       -0.08784000       3.12495000      19.61982000      -0.03264221       0.68174504      -0.43092538
O       -0.12474000       1.28210000      17.14610000       0.40073219       1.65703924      -0.10846566
O        1.45073000       4.16654000      17.08723000       0.01554345       0.10062836      -1.23326328
O       -1.69667000       4.17126000      17.12916000       0.85327804       0.41564474      -1.66659900
O        2.64470000       3.58340000      26.44484000       0.49631401      -1.06418544       0.42661631
O        1.60694000       0.99694000      26.40679000      -0.57293198       0.77309748       0.91083482
O        4.28072000       1.18806000      26.44111000      -0.54922602       0.30915367      -1.34820895
O        0.15154000       4.88477000       7.19431000      -0.45329096       0.88006246       1.53478785
O       -1.21018000       2.59410000       7.22249000       0.55535643       0.33187132       0.46348443
O        1.53931000       2.64070000       7.25801000       0.07262120      -0.11179611       0.41255986
Zn      -0.12144000       0.32622000      27.10292000       1.00429077      -0.69386052       0.38155326
Zn       3.16955000       1.79007000       8.05343000      -0.51944160      -0.69251291       0.19907935
Zn      -0.10567000       3.29077000      17.67005000      -0.36928868      -1.07330899       0.73014062
Zn       5.75326000       0.15308000      23.77654000       0.16888894      -1.84133984      -1.67663332
Zn       3.15107000       1.87788000       4.41358000       0.14294510      -0.64943938      -0.27119110
Zn      -0.11657000       3.42699000      13.92949000       0.14497940      -0.67735667       0.78633889
Zn       0.03531000       0.04154000      13.63040000      -0.21193742      -0.38123608      -1.15881433
Zn       2.83799000       1.39408000      22.93195000       0.07941330       1.22968747      -0.96086463
Zn      -0.06790000       3.13288000       3.78629000       0.25317154       1.96737938      -0.03845353
Zn       0.18402000       0.04659000       9.25373000      -1.17445132       0.57427981       0.53684288
Zn       2.86211000       1.61183000      19.03716000      -0.13401309      -1.39436414      -0.05730529
Zn       0.15304000       3.61365000      28.36603000      -0.75426471      -1.14038695       0.06901476
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.48799558 magmom=72.0039896 free_energy=-552.48799558 stress="-0.03979625650021219 -0.004466582433606312 -0.00525471592875711 -0.004466582433606312 -0.042285085795454896 0.0017374098172834856 -0.00525471592875711 0.0017374098172834856 -0.03926139322179779" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40183000       0.85137000      15.96712000       0.78187650      -2.43823616      -0.33209230
Cr       4.39602000       0.69867000      15.89768000      -0.80789905       1.23392489      -0.57831820
Cr       2.76316000       3.32683000      15.99562000       3.62500191      -1.05523374      -1.07750430
Cr       4.06942000       2.89813000      25.41763000       2.93019077       0.00136787      -1.94735702
Cr       1.25011000       2.70714000      25.44579000       0.46132645       1.41421246      -0.74923736
Cr       2.88953000       0.23758000      25.30482000      -1.02316589      -1.15340324      -1.18667841
Cr       1.60834000       4.28085000       6.11846000       0.72048831      -0.58872424       1.08425092
Cr      -1.26329000       4.21726000       6.23477000      -0.68473280       0.04418254       0.32929457
Cr       0.20016000       1.75405000       6.18844000       1.14169963      -1.37236065      -0.41761725
Cr       2.77479000       4.84950000      18.22203000       2.42173714       0.84715398       1.12782482
Cr       2.89459000       1.97134000      27.67348000       1.42209395      -0.61132474       1.15096745
Cr       0.20508000       3.36367000       8.58192000       0.33972204      -0.62690849       0.34019015
Cr       0.24482000       0.04651000       3.88847000       0.86090859      -0.21726603      -2.64367334
Cr       2.74447000       1.64011000      13.54807000       1.64643326      -0.41628302      -0.11779966
Cr      -0.10290000       3.39306000      22.89799000      -0.35097661       0.70043009       3.84401607
Cr      -0.08434000       1.39492000      20.63393000      -0.41394757       1.51736721       1.76063063
Cr       1.34002000       4.00221000      20.63147000       1.17501032       0.80197024       1.36800307
Cr      -1.65615000       3.96757000      20.66183000       2.32460389       0.25146320      -0.76636484
Cr       3.13860000       3.39094000       1.45784000       1.20264700       3.98602243      -0.14876822
Cr       1.74685000       0.96583000       1.42234000      -2.13629777      -0.64261221       1.85728564
Cr       4.64951000       0.91934000       1.46491000       2.56979986       0.63456193      -0.61906551
Cr      -0.00122000       5.04101000      11.02155000       0.75383758       2.53143558       0.05659402
Cr       4.26809000       2.65880000      11.13306000       1.15198069      -0.67708794      -0.13588807
Cr       1.42125000       2.50486000      11.13047000       1.22803896       1.56105961       0.19232123
O        1.16807000       0.46687000      19.59535000       1.34861775       0.37476891      -2.09568732
O        4.50592000       0.46677000      19.46205000      -0.45238304       0.48533176       0.80329058
O        2.78574000       3.29384000      19.50851000       0.26727938      -0.68270559      -0.55074896
O       -1.31220000       2.54494000       0.18666000      -3.03044132      -0.98265375       0.77440496
O        1.64197000       2.68742000       0.35381000       0.80371465      -0.54295827       0.29767828
O        3.20533000       0.39226000       0.34414000      -0.69826031      -0.94149091      -2.20926445
O        1.41360000       4.13009000       9.91847000       0.81352095       0.93968484       0.38808379
O       -1.15996000       4.21473000       9.66061000      -1.23221604      -0.50158846       1.62254428
O        0.16694000       1.89490000       9.90739000      -2.25269277       0.25312008      -0.24539352
O        1.40093000       0.93553000      12.22743000       0.42412415      -1.34233312       0.57249719
O        4.16922000       1.03703000      12.27146000      -0.04089092      -0.80589383      -0.04956884
O        2.81975000       3.25046000      12.47868000       0.14084775       0.73648573      -1.22800252
O       -1.28745000       2.50759000      21.81064000      -2.62312085      -2.20731276      -0.52295821
O        1.12346000       2.45584000      21.85089000       2.03410039      -1.13931157      -0.75863168
O       -0.06619000       4.93386000      21.74857000      -0.44190408       0.01211736      -0.86768885
O        1.87890000       4.48234000       2.55087000      -0.18090079      -1.44438091       1.30076936
O       -1.24793000       4.36873000       2.56880000      -0.93660913      -0.07159392       0.44786261
O        0.23195000       1.65581000       2.62576000       0.42154842      -0.40792046       0.57226445
O        1.65256000       0.60859000       5.19584000       0.19078734       3.34755588      -1.94859943
O        4.80693000       0.85776000       5.07458000      -1.22172698      -0.38136645      -0.44599001
O        3.18038000       3.57773000       5.07364000      -0.72946966      -0.54210545      -0.31259918
O        4.16250000       2.30031000      14.78463000       0.55557002       1.22447137       0.05312860
O        1.53059000       2.45770000      14.89607000      -1.80541325      -0.08050077      -1.44533701
O        2.88338000       0.01940000      14.88146000      -0.60557011       0.04290411      -1.34829301
O        1.19583000       4.20567000      24.15913000       0.49015211       1.25551773       0.61972664
O       -1.49499000       4.42825000      24.30449000       1.47396676      -0.59806739      -0.74774181
O       -0.15299000       2.02181000      24.38556000      -1.25668678      -0.84996838      -1.02561403
O        2.95147000       4.74529000      21.72051000      -2.13053679       1.66500762       0.81417407
O        3.27400000       1.76851000       2.41863000      -1.50678163       0.13434432       1.49850671
O       -0.08208000       3.44589000      12.11882000      -0.00883025      -0.42345401      -0.61310060
O        0.14772000       0.05531000       7.19961000      -0.21123769      -0.59742720       0.85129923
O        2.90961000       1.49481000      17.01744000       0.08861437       1.13320250       0.13085862
O       -0.20573000       3.67099000      26.36196000       0.23635032      -0.02747979       0.59280644
O        0.25742000       0.14994000       0.46505000      -0.18902847      -0.86668593      -1.01602661
O        3.00087000       1.77999000       9.95630000      -0.58173045      -0.68599819       0.54256857
O       -0.00015000       3.21125000      19.57282000      -1.63781364      -1.01030186       0.29803575
O       -0.01774000       1.42312000      17.02235000      -1.58360278      -0.08379254       0.94630818
O        1.42854000       4.19929000      16.98746000       0.32063077       0.35333503       0.39486486
O       -1.65596000       4.28707000      17.02342000      -0.62070636      -0.89975892      -0.07485981
O        2.74128000       3.64374000      26.59926000      -0.75543518      -1.56952795      -0.83338407
O        1.58312000       1.13234000      26.46636000      -0.80202534      -0.27779480       0.88409675
O        4.12337000       1.24190000      26.29457000       1.33679208      -0.89043042       1.96908472
O        0.17148000       4.82331000       7.37306000       0.84839812       1.97520497      -0.60476670
O       -1.14415000       2.63231000       7.24826000       0.23879491      -0.92406301       1.17979006
O        1.57440000       2.52617000       7.26969000      -0.31738001       1.59685169       0.24597702
Zn      -0.14264000       0.33458000      27.12519000       0.15181453       0.92752687       0.67261599
Zn       3.21472000       1.80510000       7.93907000      -0.61614517      -1.17888917       0.74098955
Zn      -0.05070000       3.25302000      17.69472000      -1.20913314      -0.01934010      -0.39756764
Zn       5.81831000       0.11942000      23.82010000      -2.00551072       0.71554314      -1.36722192
Zn       3.20617000       1.77343000       4.32147000      -0.61517470      -0.62975452       0.90031512
Zn      -0.10917000       3.37467000      13.97802000      -0.36373610      -0.36912898       1.72405107
Zn      -0.01248000       0.07902000      13.57996000      -0.37878702      -0.34291510      -1.00458096
Zn       2.61949000       1.49042000      22.89690000       0.56222098       0.60067715      -0.17590684
Zn      -0.00320000       3.22311000       3.78489000       0.46243701       1.07333040      -0.50388682
Zn       0.19851000       0.15239000       9.35684000      -0.80931988      -1.65290377      -1.08823387
Zn       2.94924000       1.38223000      19.06549000      -1.74700495       0.44712617      -0.55092079
Zn       0.03691000       3.65320000      28.34590000       1.04754638       0.95197901      -0.19703209
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.42209867 magmom=72.0004654 free_energy=-553.42209867 stress="-0.02515793944732114 -0.0047982934716407025 -0.008533542327669947 -0.0047982934716407025 -0.03504070115064308 0.010898016169579099 -0.008533542327669947 0.010898016169579099 -0.028708422481557163" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41329000       0.71123000      15.84856000      -1.01817108       1.29383694      -0.92815171
Cr       4.40860000       0.71059000      15.80376000      -1.51537556       0.64785661      -0.45516728
Cr       2.84487000       3.22356000      16.01029000      -0.79228613      -0.08419702      -2.21914480
Cr       4.14132000       2.84476000      25.39033000       1.40093228      -1.28857438       0.17862973
Cr       1.36229000       2.84142000      25.38527000      -1.47167915      -2.18591854      -0.62048186
Cr       2.78415000       0.25329000      25.28598000       0.52597144       1.02880219       2.18288087
Cr       1.66809000       4.27193000       6.19278000       0.34250966      -0.25006000      -0.80400126
Cr      -1.19635000       4.24103000       6.29536000      -0.16307659       0.26243834      -1.23288700
Cr       0.25761000       1.69926000       6.21691000       0.24217395      -0.39156333      -1.38527811
Cr       2.84591000       4.94510000      18.23512000       0.23507325      -0.58614646      -1.47784744
Cr       2.90257000       1.99317000      27.78900000      -0.42931857      -1.33370037      -1.18797548
Cr       0.19375000       3.35602000       8.64108000       0.89800890       3.20969880       1.06270760
Cr      -2.67246000       5.06388000       3.84538000      -0.16481156      -0.29798184       1.53010312
Cr       2.83223000       1.70873000      13.40525000      -0.17568828      -0.88595035       1.10678080
Cr      -0.14184000       3.47281000      23.01479000      -0.84164059      -1.72265900      -0.93547734
Cr      -0.11936000       1.37846000      20.68603000       0.33542974       2.14219230       0.93613736
Cr       1.39163000       3.97014000      20.65070000      -0.98813424      -0.98829664       0.21560559
Cr      -1.68151000       3.95177000      20.60154000       0.80639750       0.31787008       0.07844639
Cr       3.19797000       3.58460000       1.46589000      -0.10000104      -2.42981899       1.09308164
Cr       1.76105000       0.93747000       1.50236000      -0.99946909       0.59642686       0.68731027
Cr       4.67811000       0.90793000       1.51092000      -0.31261143      -0.08490593       0.72967136
Cr       2.96950000       0.02992000      11.07633000      -0.57012247      -0.09115550      -0.20827012
Cr       4.32942000       2.62054000      11.05337000       0.86984752      -0.95984198       1.10815180
Cr       1.49141000       2.59575000      11.17300000      -1.86008895       0.64070877      -1.39433202
O        1.22898000       0.57087000      19.45373000      -0.72814030      -1.11074359       0.72846158
O        4.54077000       0.43465000      19.59260000      -0.44172680       0.18612701      -1.04010295
O        2.75895000       3.17825000      19.26135000       0.49109890       1.29840286       1.81677122
O        4.44692000       2.36434000       0.24950000       1.37902087       2.98153933       0.07317119
O        1.67284000       2.76080000       0.53099000      -0.19126011      -0.82746478      -1.06617032
O        3.13557000       0.40023000       0.20679000      -0.02083438      -1.32433711       1.18558806
O        1.44682000       4.29616000       9.98484000       0.17035367      -0.90384974      -0.30003127
O       -1.25014000       4.08819000       9.92980000      -0.72844033       1.77964227      -1.96657654
O        0.05150000       1.97365000       9.83674000      -0.13532631      -1.23157937       1.94990550
O        1.40564000       0.90361000      12.21309000       0.82488603       0.48484529      -0.01134467
O        4.27799000       0.90986000      12.22023000      -0.18117120       1.12163786       0.66469551
O        2.80030000       3.36564000      12.34945000       1.08005319      -0.50817403      -0.40179822
O        4.46174000       2.40080000      21.73563000      -0.77025673       0.19971442       1.35267358
O        1.15764000       2.35897000      21.87395000      -1.11701972       1.48120217      -0.84163521
O       -0.15675000       4.84155000      21.64971000      -0.09639864       0.16997138       0.33642881
O        1.88116000       4.29122000       2.67767000      -0.98738700       1.15292253      -0.29877802
O       -1.30186000       4.32277000       2.74030000       0.90901599       0.12162204      -2.08227136
O        0.38585000       1.49005000       2.72569000      -1.70849303       1.53062197      -0.72598634
O        1.64416000       0.74506000       5.02136000      -0.02634563       0.04870495       1.31314926
O        4.80280000       0.76185000       5.04882000       0.00606697       0.17773406       0.04125036
O        3.31870000       3.46245000       5.04932000      -0.74870088       0.45704129       0.92337468
O        4.10933000       2.32041000      14.75722000       1.13311688       1.29688162      -0.06717671
O        1.41946000       2.44454000      14.69470000       1.42102076      -0.98081743       0.97633457
O        2.86529000       0.10678000      14.68446000      -0.07535531      -0.44963375      -0.20915264
O        1.14819000       4.43567000      24.21032000       0.29564260      -0.71593117      -0.27217836
O       -1.40704000       4.40135000      24.25703000      -1.57900500      -0.06910613      -1.13269795
O       -0.39065000       2.01761000      24.39953000       2.40026495      -0.57269179      -1.63854187
O        2.77592000       4.86397000      21.76387000       0.64682379      -0.62580340      -0.15054204
O        3.20202000       1.88486000       2.44999000       0.39789215      -1.11325432      -0.51211020
O       -0.21132000       3.59213000      12.13197000       1.17914043      -2.28855799       0.68473456
O       -2.77250000       5.07838000       7.15169000       0.81269890       0.28589054       1.70749158
O        2.72574000       1.55315000      16.98481000       1.24190873      -0.46490344       0.14002066
O       -0.09664000       3.56611000      26.30731000      -1.28775250       1.42626630       1.54630482
O        0.17768000       0.06656000       0.45065000       0.89527326       0.98023023      -0.42192541
O        2.94405000       1.62727000       9.98083000      -0.25951066       1.62063754      -0.24530373
O       -0.16295000       3.14412000      19.66127000       0.50152812      -0.09163074      -0.77615459
O       -0.16018000       1.48412000      17.00737000       0.67269704      -1.65588735      -0.00760261
O        1.42827000       4.26095000      16.90004000       0.68677546      -0.60006666       1.44483168
O       -1.66638000       4.23135000      16.87617000      -0.04411599      -0.56862011       1.77732959
O        2.71453000       3.45709000      26.53826000       0.69662835       2.26116830       0.25419736
O        1.45043000       1.22629000      26.61123000       0.91414191      -0.02799759      -1.34686487
O        4.15544000       1.13471000      26.39675000      -0.85570957       0.47197163       0.24728439
O        0.30511000       5.01441000       7.42764000      -0.74788335      -0.82818856      -0.80181728
O       -0.99203000       2.57223000       7.40344000      -1.75525278       0.24644512      -0.93669076
O        1.50741000       2.70990000       7.30596000       1.34831159      -1.07138502       0.64647914
Zn      -0.15490000       0.38415000      27.17993000      -0.27913393      -0.52768924      -0.08097675
Zn       3.21979000       1.76055000       7.87474000      -0.75540818       0.21789739       1.10245201
Zn      -0.05667000       3.22537000      17.70426000      -0.18040410       0.76253865      -0.12900370
Zn       5.79216000       0.11192000      23.79022000      -0.53154042       0.96262881      -0.99238215
Zn       3.22648000       1.64162000       4.28687000      -0.19424549       0.13253396       1.46097576
Zn      -0.12375000       3.30759000      14.09761000      -0.92651654       0.60346184      -0.46401004
Zn       5.82504000       0.09744000      13.48671000      -0.10065157      -0.29185534      -0.94010587
Zn       2.45649000       1.60964000      22.86858000       2.64090720      -0.70633420       0.87210886
Zn       0.08661000       3.36639000       3.77591000       0.90989931      -0.19774850       0.09716408
Zn       0.16523000       0.16539000       9.40660000      -0.18312895      -1.56750877      -0.29001989
Zn       2.94629000       1.18630000      19.06011000      -0.68523047       1.64267312      -1.30715883
Zn      -0.03728000       3.70343000      28.32344000       0.41330927      -1.34025492       0.05344024
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.0522748 magmom=71.9903974 free_energy=-553.0522748 stress="-0.043683287916817415 0.0014087632978148125 -0.0006134253160611342 0.0014087632978148125 -0.03271196359976245 4.863508741070753e-05 -0.0006134253160611342 4.863508741070753e-05 -0.03504345183988844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36017000       0.61501000      15.72397000      -0.04246267       0.80666969       0.10118402
Cr       4.34622000       0.74141000      15.71744000      -0.89095931      -1.03546352       0.47807905
Cr       2.89260000       3.15946000      15.95282000      -2.13499475       1.52243831      -0.86727092
Cr       4.29824000       2.70871000      25.39798000      -0.92756110       1.16658821      -0.01911073
Cr       1.40070000       2.86798000      25.32899000      -1.22837415      -0.15422757       0.53958476
Cr       2.69851000       0.31667000      25.37462000       0.12076719      -1.32886075      -0.66020379
Cr       1.75430000       4.24405000       6.24330000       0.60826243      -0.62628740       0.26447772
Cr      -1.14789000       4.26793000       6.28904000      -0.52136557      -0.83827870      -0.46694808
Cr       0.32302000       1.63395000       6.18700000      -1.83510480       2.14783592       2.52256277
Cr       2.94314000       4.96219000      18.16629000      -2.61280326      -1.96126893       1.29894091
Cr       2.90198000       1.95428000      27.87623000      -0.17239708       0.19012499      -2.04669648
Cr       0.21966000       3.49071000       8.75566000      -1.48144796      -0.34748424      -0.93987103
Cr      -2.64169000       4.96917000       3.85776000      -0.33680011       1.26105782       1.25439953
Cr       2.91963000       1.73701000      13.34132000      -0.55561810       0.75349566       1.40433159
Cr      -0.22140000       3.46196000      23.06714000      -0.17324728       0.22501297      -3.93103933
Cr      -0.17118000       1.47528000      20.78586000      -2.00254926      -1.44130703      -1.71208233
Cr       1.39297000       3.91601000      20.66299000      -0.95639600       2.35625835      -2.17549199
Cr      -1.66503000       3.95274000      20.53636000      -0.89784642       0.03708630       1.66668710
Cr       3.22661000       3.61655000       1.47516000      -1.67982316      -2.68474261       0.59478415
Cr       1.71203000       0.97401000       1.57806000      -0.59670347       0.01794776      -1.03022092
Cr       4.70560000       0.91026000       1.57100000      -1.54919847       0.29646535      -0.95930912
Cr       2.96616000       0.12378000      11.11490000      -1.46186214      -2.08538384      -0.48444933
Cr      -1.46947000       2.54948000      11.03939000      -1.95921489       1.74945055       1.11819818
Cr       1.46320000       2.71630000      11.14103000      -0.00378771      -1.99385024       0.22692860
O        1.19843000       0.48766000      19.41964000       0.56890426       0.93134744       1.57768917
O        4.51831000       0.44504000      19.57395000       0.42242023       0.20074490      -0.82058205
O        2.82129000       3.29047000      19.37601000      -0.34478255      -0.77530600       0.14376994
O       -1.45170000       2.59614000       0.36987000      -0.19834650      -0.91763820      -0.19233959
O        1.68069000       2.68169000       0.54410000      -0.38696936       0.46912967      -0.48253054
O        3.10635000       0.29261000       0.27750000       0.45525655       1.37375285       1.26435086
O        1.42706000       4.30150000      10.03194000      -0.30047936       0.72060504      -0.66607055
O       -1.40276000       4.20816000       9.94317000       2.83832372      -0.49340616      -0.25002138
O       -0.05114000       1.98611000      10.04415000       2.22875035      -1.32788546      -2.59001986
O        1.61488000       0.98568000      12.18516000      -1.41512060      -0.06236958       0.05884471
O        4.27976000       0.98676000      12.24215000       1.29057643      -0.59357378      -0.13897400
O        2.97245000       3.31267000      12.12877000      -0.00733288       1.03578910       1.69713211
O        4.20129000       2.35610000      21.83963000       0.92588298       0.61684408       0.32259279
O        1.03643000       2.50335000      21.77857000       1.16335527      -1.39291619       2.91868009
O       -0.25239000       4.71761000      21.60050000       0.62026449       1.31702688       1.08115058
O        1.80591000       4.32901000       2.74670000       0.11294862       0.35261909      -0.87264760
O       -1.28322000       4.35586000       2.57638000       0.80750241       0.00130733       0.66849633
O        0.22565000       1.50239000       2.72250000       0.01156050       0.88030638       0.58511034
O        1.58596000       0.89675000       5.06816000       1.27983741      -2.00274242      -0.59460602
O        4.83737000       0.66368000       5.06403000       0.28700250       0.80741833      -0.05312721
O        3.29756000       3.47822000       5.20535000      -0.19017253      -0.44082736      -0.90648184
O        4.19076000       2.50954000      14.72931000      -0.55526051      -1.81085965       0.20715151
O        1.54740000       2.26175000      14.65141000      -1.02952499       1.46167909       0.68463868
O        2.82613000       0.14867000      14.48326000       0.78223457      -1.38361351       1.23511277
O        1.08181000       4.50007000      24.25995000       0.15907096      -0.67658028      -0.42099317
O       -1.50265000       4.32873000      24.12576000      -0.68326405       0.48490949       2.10464783
O       -0.23678000       1.95976000      24.18430000       0.81662048       0.02362952       2.58336224
O        2.70325000       4.89946000      21.70920000       1.19032780      -0.66439917       0.76520316
O        3.17942000       1.79625000       2.41683000       0.95579889       0.54892599       1.73482597
O       -0.09695000       3.35697000      12.15656000       0.77772543       1.28316204       0.52255079
O       -2.62508000       5.04498000       7.35364000      -0.37114784       0.84514055      -0.66134243
O        2.76740000       1.53232000      16.86214000       0.60062372      -1.62499975       0.57785250
O       -0.18200000       3.68209000      26.41299000       0.16213116      -0.42437666      -1.20773094
O        0.25397000       0.13514000       0.45359000      -0.17238789       0.42140619       0.23106656
O        2.84969000       1.74676000      10.03345000       0.85133828       0.07775564      -1.23103480
O       -0.24050000       3.05258000      19.63462000       1.27726869       0.35229087      -1.00727250
O       -0.18345000       1.26560000      16.92752000       1.50858067       2.32451955      -0.56797176
O        1.53009000       4.24222000      16.98703000      -0.87810585      -0.82982953      -0.89844603
O       -1.67372000       4.09649000      16.96709000       0.63596750       0.67178270      -0.43855948
O        2.76699000       3.62958000      26.46377000       0.95550167      -0.77640321       0.36232940
O        1.48459000       1.30997000      26.50521000      -0.63480914      -0.25432112       0.72754850
O        4.04592000       1.11498000      26.53963000       1.06832243       0.56200835      -0.55516189
O        0.32016000       5.00509000       7.28288000      -0.20582612      -0.07700413       1.05025141
O       -1.03497000       2.60931000       7.40071000       0.42378593       0.27022562      -0.52080191
O        1.60046000       2.74254000       7.44667000      -0.67443303      -1.00316052      -0.29337809
Zn      -0.17459000       0.40802000      27.22432000       0.36406304      -0.54919867      -0.79724947
Zn       3.18350000       1.72556000       7.87180000       0.08833377       0.43724039       1.40781642
Zn      -0.07626000       3.23319000      17.70837000       0.50871670      -0.50521212      -0.39331661
Zn       5.72617000       0.15075000      23.70165000      -0.31368817      -0.80358338      -1.30802321
Zn       3.23885000       1.52312000       4.32315000       0.42942059       1.02711335       0.75159074
Zn      -0.16333000       3.26961000      14.20252000       2.23266759       1.02977284      -1.48227459
Zn       5.75859000       0.09933000      13.35587000       0.57824555      -0.50524453      -0.65168864
Zn       2.42285000       1.69955000      22.88588000       1.80887827      -0.23109886      -0.45455912
Zn       0.22183000       3.49914000       3.77433000       0.18293240      -0.54420182      -0.06634430
Zn       0.11701000       0.08875000       9.42407000      -0.87200841       0.91581523      -0.46731977
Zn       2.90111000       1.08734000      18.99243000      -0.08630308       2.12089250      -0.80321135
Zn      -0.08323000       3.67736000      28.30234000       1.24030909      -0.92768601       0.35285104
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.24217223 magmom=72.0050828 free_energy=-551.24217223 stress="-0.04713302190884147 0.0046701189012881145 0.005139167413320927 0.0046701189012881145 -0.026924571991607485 -0.0038645018592946383 0.005139167413320927 -0.0038645018592946383 -0.04249071911061056" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29189000       0.55953000      15.62708000       1.79084054       0.22792423       0.25262704
Cr       4.25855000       0.69857000      15.67747000       3.26018325      -1.91974167       0.95387457
Cr       2.82047000       3.19486000      15.88222000       0.62194955      -0.80772124       0.10706382
Cr      -1.50544000       2.63305000      25.43755000      -1.84954614       2.46075630      -1.43761181
Cr       1.38853000       2.87742000      25.32211000       1.52682270       0.99769029       1.29964228
Cr       2.63136000       0.32353000      25.44726000       0.44823432      -1.30929537      -2.62932557
Cr       1.86176000       4.17955000       6.31668000      -1.07932033       0.46078917       0.78425930
Cr      -1.12721000       4.23961000       6.24386000      -0.24097443      -0.10631962      -0.36900514
Cr       0.30632000       1.69035000       6.28249000       0.37877303       0.33528766       0.27176510
Cr       2.93168000       4.85193000      18.13970000      -0.56144966       0.83247781       1.07495970
Cr       2.88483000       1.92958000      27.89711000       0.49823490       0.96556518      -2.20736951
Cr       0.16893000       3.61254000       8.78322000       0.63266277      -3.58893623      -4.03348242
Cr      -2.63449000       4.94923000       3.93427000       0.28540868       2.00495963      -2.07338944
Cr       2.96877000       1.78868000      13.36825000      -0.82803536      -0.72449054       0.48334885
Cr      -0.33357000       3.44759000      22.94590000       0.04152777       0.24056304       4.02295560
Cr      -0.32395000       1.50966000      20.80754000       1.58265575      -1.42531080      -1.09127899
Cr       1.32787000       3.97109000      20.58581000      -0.60112846       0.48656310       1.08163213
Cr      -1.67756000       3.96604000      20.55927000       0.65820842       0.71591710       1.69999481
Cr       3.15346000       3.45568000       1.48744000      -0.73991918       3.39884975       2.56346981
Cr       1.65483000       1.05235000       1.57708000      -0.74527321      -0.38193846       2.26739759
Cr       4.64940000       0.94662000       1.58276000       0.89706488       1.04445920       0.35059212
Cr       2.88654000       0.11327000      11.12511000       1.90277412       0.68092362       0.53568911
Cr      -1.41914000       2.56120000      11.07457000       1.16516075       1.03447596      -1.10892111
Cr       1.45756000       2.72679000      11.09671000       2.65789354      -1.49166098      -0.40646720
O        1.16378000       0.54091000      19.63737000       0.26999040       0.47897790      -1.72119489
O        4.58371000       0.47929000      19.37864000      -1.56001898       0.29453050       0.62393969
O        2.78855000       3.28937000      19.53601000      -0.11939768      -1.32437086      -2.16415473
O       -1.45132000       2.66342000       0.47878000      -0.09956859      -1.79349732      -1.92943348
O        1.57456000       2.69833000       0.46426000       0.57249647       0.56829132       0.10368779
O        3.14939000       0.43049000       0.54468000      -0.89550646      -1.65477981      -2.97947795
O        1.33144000       4.37950000      10.02816000       1.50873077       0.35158973       0.32637608
O       -1.09581000       4.30759000       9.89577000      -3.94841366      -0.41276181       0.70446860
O        0.13780000       1.84211000       9.94771000      -1.02367379       1.77259065       0.19107714
O        1.65865000       1.10783000      12.16105000      -1.41742674      -0.81541921       0.62369131
O        4.38039000       1.02575000      12.22061000      -0.85060475      -0.49421454      -0.08118160
O        3.12233000       3.36899000      12.19459000      -1.16507552       0.72398588       0.59463577
O        4.19481000       2.46429000      21.94648000       0.48001822      -0.76388701      -1.18149876
O        1.00408000       2.51445000      21.97665000       0.34410076      -0.55942894      -2.13414209
O       -0.25344000       4.77564000      21.67829000       0.48653263       1.43101641      -1.34450455
O        1.81125000       4.48195000       2.67510000       0.34559062      -1.72100520       0.51669611
O       -1.21831000       4.41749000       2.48781000      -1.08868995      -0.41809484       1.59854361
O        0.06626000       1.65052000       2.79073000       2.12047435      -0.16419568       0.63685412
O        1.64525000       0.68395000       5.14263000       0.32500296       1.06692640      -0.32926766
O        4.96965000       0.67733000       5.14816000      -1.31111863       0.22565011       0.45764398
O        3.24727000       3.46936000       5.23851000       0.72040125      -1.29719512      -1.03403598
O        4.16613000       2.36663000      14.75398000       1.15506893       0.79602566      -0.33322141
O        1.57719000       2.27907000      14.73522000      -1.14952080       0.67558672      -1.01616235
O        2.90079000       0.02500000      14.50821000      -0.66155541       0.49553920      -0.25409118
O        0.99009000       4.39478000      24.21078000       0.59243867       1.29700126      -0.91103748
O       -1.66061000       4.28122000      24.31630000       0.87823570       0.43365273      -1.01583210
O        0.07595000       1.97727000      24.35868000      -2.70941602      -1.14409206      -1.14542989
O        2.81671000       4.81561000      21.66048000      -1.10290980       0.67168368       0.13055456
O        3.26067000       1.77568000       2.60436000      -1.56563623       1.20279793      -0.59733391
O        0.12083000       3.31627000      12.23320000      -1.96776944       1.69738832       0.04672461
O        0.42286000       0.05141000       7.41707000      -0.92511884      -0.69016431      -0.37953928
O        2.91192000       1.28322000      16.75385000      -2.02991860       1.63838668       1.94133665
O       -0.23993000       3.73260000      26.32174000       1.62085514      -0.67412472       2.11095774
O        0.28213000       0.26303000       0.53768000      -1.26856868      -1.55926897      -1.26805521
O        2.93353000       1.90480000       9.95469000       0.89645147      -0.81533968       0.47484841
O       -0.11380000       3.04522000      19.53539000      -0.63187414       0.67002236       1.34989888
O        0.00530000       1.35435000      16.75521000      -1.31147454      -0.41017489       1.31158916
O        1.50143000       4.11066000      16.89902000       0.01471674       0.75699163       0.26761055
O       -1.60902000       4.08162000      16.95697000      -1.05906887       0.34814067      -0.89759766
O        2.96614000       3.64972000      26.43328000      -1.13038794      -1.24844291       1.00199429
O        1.45307000       1.36962000      26.51222000      -0.17220800      -0.52534012       1.75958189
O        4.06452000       1.17011000      26.54366000       0.72163840      -1.58363676       0.74497422
O        0.31213000       4.90246000       7.30453000       0.70182464       1.83408659       1.10739693
O       -1.01573000       2.71367000       7.29523000      -0.83813986      -1.75889471       1.88455887
O        1.52996000       2.62363000       7.52372000       0.25504539       0.70847158      -0.48266514
Zn      -0.17498000       0.39798000      27.23250000       0.70126621      -0.91633040      -0.22630523
Zn       3.15101000       1.71353000       7.93984000       0.71716025      -0.09044427       0.38534498
Zn      -0.06756000       3.21415000      17.68300000       0.48776445      -0.87592533      -1.06760398
Zn       5.63609000       0.16088000      23.54969000      -0.01840947      -0.45400648       0.92031919
Zn       3.27628000       1.45039000       4.41200000       0.40041414       0.62471065       1.45642117
Zn      -0.10725000       3.27736000      14.24240000       0.63914182      -0.73957677      -0.93358794
Zn       5.72145000       0.07248000      13.19443000       1.21880600      -0.64572886       0.36176070
Zn       2.49832000       1.77557000      22.91824000       1.21899666      -0.50020209       0.64020554
Zn       0.37844000       3.61016000       3.77418000      -0.76738909      -0.97339358      -0.48867034
Zn       0.03542000       0.03165000       9.40860000       0.88927374      -0.23492617      -0.74436231
Zn       2.84595000       1.10246000      18.87118000      -0.31212128       1.30156197      -0.31834352
Zn      -0.05815000       3.59672000      28.28926000       1.11579680       1.06146972       0.31261745
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.88486665 magmom=72.0001202 free_energy=-550.88486665 stress="-0.03258764411624599 -0.004096403458142385 -0.005514361073118463 -0.004096403458142385 -0.022768880862700954 0.006151988733351015 -0.005514361073118463 0.006151988733351015 -0.0321152333282131" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29629000       0.53201000      15.57492000       0.84447161       1.90462240       0.80263707
Cr       4.32897000       0.55090000      15.73348000       0.15343074       2.17911897       0.20254454
Cr       2.76828000       3.22373000      15.85747000       1.85866212      -2.56858211      -1.31547604
Cr      -1.52355000       2.69022000      25.44924000      -0.29901849      -1.16586306       0.85550737
Cr       1.44918000       2.92613000      25.39785000      -0.72805042      -1.39526913      -0.17323494
Cr       2.59959000       0.25028000      25.40771000       1.68218338       0.51130165       0.53482686
Cr       1.92016000       4.13008000       6.43522000      -0.73366055       2.39895191      -2.14663446
Cr      -1.10998000       4.16380000       6.19299000       0.05602495      -0.08778598       0.97501995
Cr       0.27043000       1.78320000       6.42328000      -0.14691910      -2.61607056      -2.73276523
Cr       2.87496000       4.72804000      18.15417000      -0.04007817       2.11721338       0.55298828
Cr       2.88503000       1.96725000      27.87768000       0.29308594      -2.11169427      -1.65229930
Cr       0.12068000       3.55291000       8.62468000       0.33724276      -0.16295063       3.37036753
Cr      -2.62015000       5.06067000       3.92041000      -0.69008607       1.06491741       1.79001122
Cr       2.95882000       1.80855000      13.43284000      -0.76504337      -1.47640571      -0.29697336
Cr      -0.42472000       3.46886000      22.98939000       3.29777644       0.00264521       0.54232884
Cr      -0.39885000       1.45249000      20.73765000       3.27462461       1.02499708      -1.86258665
Cr       1.23692000       4.07540000      20.53186000       0.93504051      -1.32498989       1.36586806
Cr      -1.68144000       4.04976000      20.63888000       0.15325029       0.68305129      -1.59748085
Cr       3.03337000       3.41704000       1.55524000       2.44105392       4.10278131      -0.78201502
Cr       1.56888000       1.10692000       1.61677000       0.30412840      -2.12996461      -0.05650766
Cr       4.60975000       1.02916000       1.60495000      -0.51590498      -1.20233526       0.32524292
Cr       2.88686000       0.12924000      11.15677000       1.13851894       0.10122935      -0.77575626
Cr      -1.31816000       2.65528000      11.07299000       0.22763196       0.35439986       0.62973048
Cr       1.59834000       2.64563000      11.04649000      -0.37595945       2.20023184       0.47839742
O        1.13332000       0.65471000      19.61468000      -0.75250948      -1.64911307      -1.23371921
O        4.45883000       0.53834000      19.29910000      -0.03334019      -0.84883295       0.58643764
O        2.70139000       3.09746000      19.37800000       0.62082773       2.20949163       0.34476910
O        4.37616000       2.42054000       0.32042000       1.11258964       2.51403013       0.73178808
O        1.55858000       2.82288000       0.44578000       1.09367662      -1.61600262       0.93342853
O        3.05710000       0.33147000       0.38725000      -0.54346976       0.25291474       1.03004577
O        1.38380000       4.44966000      10.04822000      -0.74639946      -1.70472843      -0.48744771
O       -1.25148000       4.25940000       9.94183000      -0.39283297       0.40684666      -0.79183533
O        0.21239000       2.02014000       9.83596000      -0.82864917      -0.91071979       0.56582324
O        1.50576000       1.10681000      12.20497000       0.43642294      -0.52676944       0.03860557
O        4.30261000       1.03270000      12.14791000       0.25053130       0.24739631       1.20624309
O        3.06730000       3.43243000      12.36307000       0.01904319      -1.77902899      -1.69791877
O        4.32267000       2.49195000      21.82625000      -2.13619039      -0.44412927       0.70279741
O        0.97185000       2.44679000      21.89111000       0.19682330       0.58416153       0.14658555
O       -0.18244000       4.98925000      21.62657000      -0.68656705      -0.90768170       0.73624740
O        1.92663000       4.43754000       2.67042000      -1.96252809       0.82760728       1.07412554
O       -1.40736000       4.46604000       2.68317000       1.69024636      -0.73753143      -1.49494574
O        0.28011000       1.71679000       2.95282000      -0.96314971      -0.01819162      -0.87723325
O        1.75785000       0.57999000       5.13425000      -0.98998717       1.49122510       0.14794566
O        4.95129000       0.71420000       5.32642000      -0.10203785      -0.48074970      -0.78169507
O        3.29811000       3.33821000       5.11300000      -0.05318590       1.16811009       0.95147576
O        4.24807000       2.24707000      14.75599000       0.35541278       1.30921900       0.17624379
O        1.49802000       2.38231000      14.68597000       1.34182532      -1.59785610      -0.01199442
O        2.88794000       0.03439000      14.55513000      -0.36731514       0.06543616      -0.65359423
O        0.96010000       4.43068000      24.04886000       0.19783648      -0.06853690       1.48829867
O       -1.60967000       4.29630000      24.38217000      -1.05410169       0.71905947      -1.35413881
O       -0.03705000       1.90377000      24.46135000      -0.46125450       0.23650173      -1.52247538
O        2.74583000       4.83244000      21.58212000      -0.73838385       0.06266893       0.83853202
O        3.09202000       1.95109000       2.66639000       0.22261848      -2.46991284       0.19751719
O        0.05510000       3.59763000      12.19357000       0.28510058      -1.20360555      -0.49280534
O        0.35599000       0.05901000       7.32853000       0.56391520      -1.00304645       1.04155596
O        2.80067000       1.26306000      16.84163000      -0.02290483       1.10346015      -1.57614040
O       -0.04159000       3.66854000      26.43391000      -0.78103321       0.17693270      -0.98577099
O        0.10521000       0.13997000       0.54179000       0.41016690       0.12133684       0.26637255
O        3.19925000       1.90143000       9.99248000      -1.91537832      -0.58037467       0.13516482
O       -0.13346000       3.17245000      19.67889000      -2.11442905      -0.42415792      -2.16027538
O        0.00170000       1.37674000      16.75206000      -1.11609175      -1.32088162       1.16437430
O        1.43232000       4.10450000      16.81948000       0.20162499      -0.03306336       1.77728544
O       -1.70172000       4.13243000      16.75743000       0.37943784      -0.94114041       1.70449687
O        2.97688000       3.38542000      26.55896000      -0.67846223       2.10887322       0.02513384
O        1.43035000       1.35756000      26.77044000       0.46331117      -0.62301262      -2.22362693
O        4.16884000       1.01549000      26.54697000      -1.45497139       0.80956075      -0.96431168
O        0.40695000       5.04556000       7.48833000      -0.56432828      -0.96836556      -1.95138953
O       -1.10789000       2.60056000       7.44545000      -0.32891386       0.74509134      -0.33550028
O        1.48691000       2.66223000       7.49994000       1.94833252      -0.40063837       1.48358273
Zn      -0.13599000       0.33066000      27.22619000       0.44804717      -0.95694058       0.33269098
Zn       3.15297000       1.70046000       8.05101000      -0.12658278       0.55799957       0.68745814
Zn      -0.03555000       3.14507000      17.60328000      -0.89321863      -0.47372070       0.38354523
Zn       5.52973000       0.14328000      23.41603000       0.77315737       0.47225401       1.49245020
Zn       3.34398000       1.41161000       4.58498000       0.23080046       1.16916366      -0.46482307
Zn      -0.00446000       3.26275000      14.22534000      -1.86649639       0.42616847      -1.43487285
Zn       5.74516000       0.01793000      13.04505000       0.30335330       1.17177323       0.98235373
Zn       2.65080000       1.83556000      22.98635000      -0.31683533      -0.22433692      -0.65799798
Zn       0.51171000       3.67891000       3.76171000      -1.24245641      -1.21543364       0.26623004
Zn       2.94023000       5.08750000       9.34882000       1.58691416       1.20357309      -0.42292665
Zn       2.76273000       1.20239000      18.71248000      -0.55509571       0.78567011       0.71854819
Zn       0.03215000       3.56627000      28.29626000      -1.04532123       0.77842688       1.18554522
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.341799 magmom=72.0247551 free_energy=-550.34352399 stress="-0.04158725069694889 -0.008294847233112242 -0.006100307808211403 -0.008294847233112242 -0.04476792772958181 0.010886806344290902 -0.006100307808211403 0.010886806344290902 -0.051330761554200806" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33821000       0.59118000      15.60478000      -1.41352341      -0.93175293       1.32234327
Cr       4.42889000       0.50718000      15.81659000      -3.01044202       1.77669393      -2.51723953
Cr       2.81988000       3.15430000      15.84293000       0.86010814       1.03153802      -1.00326091
Cr       4.30699000       2.70768000      25.50776000      -0.04141447       0.13079494      -1.51613888
Cr       1.49413000       2.89607000      25.48901000      -1.43036905      -1.59817209      -2.62527544
Cr       2.66127000       0.20620000      25.38577000      -0.28541798       0.20872621      -0.94881368
Cr       1.91721000       4.19216000       6.44580000      -0.87731255      -0.97570899      -0.95063982
Cr      -1.08809000       4.09105000       6.18148000       0.27332230       2.16045761       0.90533030
Cr       0.23838000       1.73891000       6.44094000       2.35505751      -1.28070356       0.02762162
Cr       2.80226000       4.68655000      18.18508000      -0.58535397       2.46056793      -1.65199315
Cr       2.90529000       1.90455000      27.85611000       0.32346155      -1.32710451      -0.68485428
Cr       0.11260000       3.46625000       8.61866000       0.43825744       1.67351208       2.81810059
Cr       0.32097000       0.12712000       3.97261000       0.18321575      -1.91951069       0.55732247
Cr       2.91699000       1.73642000      13.47288000       1.48184835      -1.16630760      -1.21655431
Cr      -0.33428000       3.48891000      23.06977000      -0.04297974      -1.25474419      -3.09096120
Cr      -0.29650000       1.46472000      20.56725000      -1.16555933       2.23127292      -0.23896416
Cr       1.17248000       4.09541000      20.53260000      -1.21232248      -2.05621628      -0.12484964
Cr      -1.70650000       4.17855000      20.61796000      -1.02386147      -1.99094307       0.13281209
Cr       3.03550000       3.56917000       1.57348000       1.54024213      -0.99844525       1.54795052
Cr       1.52714000       1.03584000       1.62367000       0.65092921      -1.58638652      -0.62004745
Cr       4.54271000       1.06252000       1.63742000      -0.75874068      -0.50799400      -0.03733134
Cr       2.96966000       0.17059000      11.15164000      -0.33279015      -0.57295831      -1.35544573
Cr      -1.22813000       2.75444000      11.08913000      -3.50311829      -2.46448202       0.73723764
Cr       1.71277000       2.65686000      11.01895000      -3.46891887       0.20503854       0.54740328
O        0.98083000       0.50018000      19.34838000       1.92366967       1.62641440       0.88872926
O        4.32189000       0.47265000      19.35314000      -0.27734651       0.82618297      -0.72334570
O        2.71235000       3.24450000      19.27910000      -0.49199499      -1.51353631       2.37804377
O       -1.42393000       2.51390000       0.27473000      -1.09776370       0.25066116       1.23318434
O        1.67793000       2.69377000       0.56102000      -1.05263316       0.03451452      -1.06417827
O        2.86509000       0.28965000       0.35288000       1.17563833       0.50121971       0.69441618
O        1.32124000       4.23871000       9.97919000       1.08378605       1.88551096      -0.94693176
O       -1.48909000       4.21187000       9.90939000       3.03207522       0.64488597      -0.32847438
O        0.12824000       2.09823000       9.90522000       0.26538769      -2.67916697      -0.25821540
O        1.49548000       1.03732000      12.20704000       0.52515911      -0.06222827      -0.35726494
O        4.23513000       1.09962000      12.25204000       2.40428744      -1.06166040      -0.12458365
O        2.99851000       3.20894000      12.24755000       1.04473267       2.68925027       0.49637593
O        4.19527000       2.47509000      21.75490000       0.59884515       0.54343401       0.75075279
O        0.92662000       2.50940000      21.74877000       0.77384264      -0.04382316       0.94651407
O       -0.23769000       4.94597000      21.66663000      -0.40526607      -0.10856250       0.69691489
O        1.83511000       4.53208000       2.80143000       0.24663632       0.95276241      -0.83846504
O       -1.42788000       4.44554000       2.68338000       0.52407663      -0.15296866      -0.26998720
O        0.33410000       1.71418000       2.93920000      -2.20962270       1.23971788      -0.66197335
O        1.65728000       0.72177000       5.19763000       0.61341026       0.65985385       0.83078230
O        4.95230000       0.67589000       5.39305000      -0.02141615       0.72292275      -1.22643989
O        3.35507000       3.45028000       5.17744000      -1.03079892      -0.39837573      -0.49382067
O        4.34539000       2.33456000      14.76701000      -0.55165223      -0.50242571       0.03553325
O        1.60019000       2.25158000      14.63370000      -2.76591402       1.74729364       0.56485217
O        2.83515000       0.09752000      14.52341000       1.04980577      -1.72009577       0.28402787
O        0.94666000       4.43081000      24.17317000       1.38762394      -0.65077760       0.61556271
O       -1.65376000       4.40452000      24.23109000      -0.44831320      -0.43111707       0.88858897
O       -0.34360000       1.89385000      24.26971000       0.94996967       0.72131735       0.50523374
O        2.56437000       4.88872000      21.54958000       1.39513785       0.33810384       0.27074020
O        2.95904000       1.80504000       2.60667000       2.02359712       0.50929826       0.91599126
O        0.03366000       3.66719000      12.05737000       1.70859930      -1.48472055       2.52616570
O       -2.57747000       5.02690000       7.36866000       0.83778103       0.88518557       0.00698087
O        2.65945000       1.47940000      16.65614000       1.47714850      -1.19391353       2.00239629
O        0.02971000       3.61224000      26.37785000      -1.93155787       0.19480202       1.25184243
O       -0.02884000       0.06011000       0.60143000       0.63049908       1.79809065      -1.14359630
O        3.16526000       1.79995000      10.12905000      -0.05047935      -0.04915341      -1.63679384
O       -0.44092000       3.26389000      19.52745000       1.91365723      -0.87468144      -0.62170089
O       -0.18245000       1.14425000      16.94564000       1.85771250       1.60699889       0.31394947
O        1.41242000       4.09368000      16.97633000       0.11971754      -1.27738488      -1.15289584
O       -1.72296000       4.08571000      16.78630000       0.68332348      -0.01346469       1.03795066
O        2.86025000       3.47185000      26.65986000       0.73629221       0.56951459       0.01882290
O        1.51110000       1.22983000      26.61809000      -0.89616818       0.06442098      -0.01544783
O        4.04213000       0.99602000      26.40218000       1.78183228       0.78629796       1.84577415
O        0.39208000       4.98445000       7.35025000      -0.95205261      -0.03994141       0.04771832
O       -1.15574000       2.60473000       7.50835000       0.25579691      -0.37304472      -1.67036297
O        1.67468000       2.68488000       7.63889000      -1.74780814      -0.28042595      -1.21045850
Zn      -0.07606000       0.21371000      27.23063000      -0.42238051       0.69249728      -0.09114893
Zn       3.15331000       1.70099000       8.19940000       0.59176785      -1.01009557       0.34186479
Zn      -0.05183000       3.04511000      17.53893000      -1.49731252      -0.20017063       0.54192280
Zn       5.46137000       0.14677000      23.36446000       0.82445525       0.37803860       1.24908980
Zn       3.41581000       1.43677000       4.74773000      -1.86958372       1.65300105      -1.19265414
Zn       0.02491000       3.25837000      14.13949000      -0.43196262       0.67574853      -0.92533953
Zn       5.79709000       0.00223000      12.94794000       0.13571053       0.00963372       0.72709291
Zn       2.79979000       1.88329000      23.03854000      -0.58565889      -0.16559112      -1.08653668
Zn       0.57065000       3.67687000       3.77660000      -2.35412923      -1.84316128       1.15358021
Zn       2.95164000       5.09195000       9.25882000      -1.05358578       1.26965001       0.66036833
Zn       2.65157000       1.35109000      18.58911000       0.37936403       0.16337097       1.11301242
Zn       0.08689000       3.57312000      28.36059000       0.23974388       0.24272041       0.19208768
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.5086036 magmom=71.9999969 free_energy=-551.508722 stress="-0.032309274032567385 0.00969159146277314 0.014951395001656487 0.00969159146277314 -0.042591969764186444 0.0027444254353208948 0.014951395001656487 0.0027444254353208948 -0.04866423677501212" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31515000       0.60357000      15.72333000       0.22332217      -0.78314646       0.36234508
Cr       4.38967000       0.57236000      15.80620000      -0.89493373      -0.35438513      -0.33151835
Cr       2.92087000       3.16864000      15.82993000      -1.02185183       0.76689055      -0.58887596
Cr       4.21679000       2.71697000      25.51691000       0.41098854       1.32952607      -2.57835399
Cr       1.45674000       2.77918000      25.48264000      -2.55178409      -0.17045395      -1.21567217
Cr       2.73159000       0.19287000      25.33971000      -0.26339699      -0.80614435      -0.60620563
Cr       1.85772000       4.21839000       6.38890000      -0.27936127      -0.92930767      -0.20168120
Cr      -1.06204000       4.13381000       6.19523000      -1.22983008       1.04145729      -0.94891288
Cr       0.32227000       1.62716000       6.45358000       0.37867441       1.52161422       0.98144408
Cr       2.69522000       4.72319000      18.16026000       0.32997877       0.24728203       2.05839236
Cr       2.94944000       1.78640000      27.83364000      -0.95514782       1.96050503      -0.06613092
Cr       0.11978000       3.45062000       8.74898000       0.15626805      -1.23810652      -2.73374740
Cr       0.32435000       0.21356000       4.03524000       0.61350656      -1.32182734      -2.90284020
Cr       2.94322000       1.61091000      13.45667000       0.20276674       0.94174144       0.55163096
Cr      -0.23358000       3.44728000      22.99584000      -1.78395679      -0.10364362       0.00117912
Cr      -0.24373000       1.60240000      20.39265000      -2.01291813      -1.23276389       1.90711544
Cr       1.07580000       4.02975000      20.52722000       0.81893541       2.04257041      -0.26619683
Cr      -1.78502000       4.19238000      20.56504000      -0.19854825      -1.78729447       0.50429886
Cr       3.12227000       3.66678000       1.61634000      -1.97941336      -2.27105930      -0.15831695
Cr       1.54345000       0.91325000       1.59732000      -0.35060016       2.99659362       0.70512204
Cr       4.44227000       1.06915000       1.64133000       1.86964822       0.22518220      -0.98754456
Cr       3.04849000       0.15219000      11.08330000       0.76823769      -2.33566063       0.70477004
Cr      -1.30256000       2.72331000      11.14494000       0.11375089      -1.69567733       0.02088903
Cr       1.63706000       2.69027000      11.02402000      -1.16405297      -1.19636520       0.98910159
O        1.08569000       0.58766000      19.26753000      -1.05516863      -0.01336101       0.81213017
O        4.19749000       0.50678000      19.30272000       0.81765146       0.34113163      -0.55006634
O        2.63860000       3.26723000      19.52245000      -0.25258160       0.06100990      -1.26904231
O       -1.52555000       2.67585000       0.47353000      -0.72089314      -0.29437431      -0.87092416
O        1.63305000       2.56830000       0.51784000       0.55563037       1.01390271      -0.22455629
O        2.91660000       0.32614000       0.43908000       1.50254405      -1.07922185      -0.42996488
O        1.40817000       4.28563000       9.85520000       0.51197116       0.27160774       1.29901630
O       -1.15567000       4.25557000       9.88313000      -1.49933051       0.59829781       0.96896741
O        0.05759000       1.80134000       9.98830000       0.42401023       1.64785483      -0.10770781
O        1.66496000       0.98267000      12.12387000      -0.40418443       0.05545015       0.19576388
O        4.45465000       1.03206000      12.30651000      -1.50230048       0.65736847      -1.25178987
O        3.08201000       3.32472000      12.18167000      -0.22452382      -0.15972459       0.54358826
O        4.21834000       2.59342000      21.78589000       0.65924679      -0.22550369      -0.38822256
O        0.97312000       2.57424000      21.73788000       0.69102418      -1.40684358       0.18080369
O       -0.36667000       4.78972000      21.73735000       0.99218787       2.35106117      -1.41556814
O        1.80176000       4.74326000       2.82208000       0.15298002      -2.94496171       0.99201104
O       -1.37087000       4.43165000       2.61670000       0.02361697       0.13597524       1.98293293
O        0.03907000       1.78404000       2.79549000       1.41691821       0.06668430       0.71303108
O        1.62626000       0.90828000       5.38001000       2.09877885      -1.25310634      -1.85994812
O        4.98399000       0.73626000       5.30653000      -1.28632197       0.30529845       0.86872609
O        3.26411000       3.56919000       5.21599000       0.13327819      -0.66109391      -0.98756736
O        4.28543000       2.30980000      14.77049000       0.62207417      -0.25704551      -0.83102449
O        1.43460000       2.28828000      14.66000000       1.80725449      -0.81676755       0.01505798
O       -0.02823000       5.09336000      14.57054000      -0.54821631       0.86046233       0.30101358
O        1.10533000       4.27073000      24.36865000       0.39043768       0.74298268      -1.94764879
O       -1.70567000       4.39846000      24.21959000       0.89815453      -0.26855869       0.50511078
O       -0.49026000       2.02347000      24.17326000       1.43649129      -2.04130022       1.35239257
O        2.59355000       4.99619000      21.46633000      -0.19185274       0.51506754       0.65141847
O        3.09033000       1.70761000       2.67938000      -1.91917887       1.87008325       1.55719894
O        0.24028000       3.45681000      12.18154000      -0.72117920       0.85822227      -2.32734474
O       -2.46037000       5.01327000       7.38278000      -1.02522114      -0.06122667       0.02498582
O        2.78616000       1.46952000      16.68544000       0.66180743      -0.67534578       0.29459290
O       -0.20480000       3.57478000      26.39819000       0.97223787       0.28816099       1.18268386
O       -0.01467000       0.23958000       0.54790000       0.52898250      -0.66262987       0.04176194
O        3.05659000       1.73974000      10.09098000       0.85473099       1.39846732       0.96442095
O       -0.45401000       3.21542000      19.36227000       1.00036395       0.49221594       1.22535995
O       -0.11755000       1.15657000      17.03880000       0.11508813      -0.11305337      -2.23767831
O        1.43788000       3.91865000      16.89975000       0.28535576       0.88427177      -0.92092286
O       -1.65254000       4.06187000      16.95509000      -0.91114037       0.43410366      -0.94192821
O        2.81591000       3.55332000      26.59318000      -0.13431838      -2.22895606       0.56246032
O        1.45907000       1.12107000      26.40777000       0.27153426       0.09644494       2.07310921
O        4.14795000       1.08707000      26.49719000       0.40512511      -1.04300766       0.54146820
O        0.25358000       4.86031000       7.26254000       1.38409714       1.84729133       2.74362380
O       -1.07434000       2.59872000       7.31824000      -1.21442149      -0.93364958       2.00753463
O        1.55805000       2.65768000       7.59290000       0.87690248      -0.39603919       0.12509167
Zn      -0.03631000       0.15745000      27.24206000      -0.30642667       1.47988922      -0.21926016
Zn       3.17237000       1.66550000       8.32775000       0.11056879      -0.04009495      -3.89459064
Zn      -0.13826000       2.94372000      17.50585000      -0.17746419       1.45094190       0.31489172
Zn       5.44489000       0.17198000      23.39099000       1.05465862       0.07662854       0.50348622
Zn       3.39566000       1.54715000       4.83406000      -1.44209885       1.43525834      -1.69915546
Zn       0.01368000       3.28457000      14.01608000      -1.17979483      -0.33947252       0.94520581
Zn       2.91253000       5.10409000      12.90874000       1.24533062      -0.11784096       1.65174192
Zn       2.90680000       1.91945000      23.05331000      -0.68449539      -0.15885335      -0.56037563
Zn       0.51528000       3.58958000       3.84668000      -0.85157473      -0.57927478      -0.58488043
Zn      -0.01563000       0.04761000       9.19693000       1.34957361       0.02788445       0.54407182
Zn       2.56633000       1.50302000      18.54366000       1.26902200       0.14615762       1.95598051
Zn       0.14038000       3.59047000      28.44179000      -0.46722398      -0.48639581      -0.32175838
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.56729825 magmom=71.9970394 free_energy=-551.56729825 stress="-0.04306367911894075 0.005515140088355483 0.012777471780719172 0.005515140088355483 -0.03736320258506172 -0.01602974867850475 0.012777471780719172 -0.01602974867850475 -0.042083419165318534" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31971000       0.56031000      15.83866000       3.51625204       0.29114767      -2.99036774
Cr       4.31949000       0.59850000      15.78665000       1.99675843      -1.53382237      -1.51957345
Cr       2.97089000       3.25139000      15.80616000      -1.08756066      -2.41051127      -2.13312958
Cr       4.15583000       2.76351000      25.43574000       1.83433560      -1.45090044      -0.22349156
Cr       1.29766000       2.65236000      25.43286000      -1.70591993      -0.26176230      -0.42624813
Cr       2.77774000       0.15009000      25.29559000       0.97750734      -0.65576607       1.19882428
Cr       1.77269000       4.18773000       6.33194000       0.07160382       1.12594377       0.07278219
Cr      -1.07065000       4.22662000       6.19888000      -0.38586315      -1.03402649       1.21540647
Cr       0.42056000       1.60121000       6.50094000      -2.23257335       0.56477842      -1.96392537
Cr       2.60086000       4.77160000      18.19134000       1.35739807       0.53231348      -0.75918722
Cr       2.95570000       1.78545000      27.80659000      -0.36459498      -0.26890277       0.50747527
Cr       0.14116000       3.39408000       8.75451000       0.01757317       0.46611106      -0.35148694
Cr       0.33756000       0.21232000       3.95885000      -1.83063573      -0.11811632       1.06095249
Cr       2.98274000       1.54533000      13.44954000      -0.49568670       1.57024163       0.09767246
Cr      -0.22628000       3.40005000      22.90286000       0.60027320       0.96317360       1.05650618
Cr      -0.30879000       1.63952000      20.33768000      -0.69377643      -1.27797504       3.48558369
Cr       1.04909000       4.08320000      20.50307000       1.65071087       2.20476242       1.73921221
Cr      -1.87902000       4.12367000      20.51705000       1.73537006       1.37496192       1.24207573
Cr       3.09564000       3.63319000       1.67524000      -1.94383570      -0.55536516       0.60652319
Cr       1.56916000       0.96050000       1.60174000       0.83616274       1.93117784       0.67059981
Cr       4.43178000       1.08970000       1.62240000       1.56495619      -0.31831514       1.71098488
Cr       3.15619000       0.03187000      11.05584000      -0.39574692       2.01695463       0.83739820
Cr      -1.38308000       2.60479000      11.19060000       1.60880847       2.10056069      -1.48713361
Cr       1.52345000       2.63658000      11.06578000       3.88775276      -1.54643181       0.01691939
O        1.03894000       0.70458000      19.41925000      -0.19195329      -1.31025578      -1.83966084
O        4.24188000       0.60704000      19.20133000      -0.24301466       0.16301697       0.65789058
O        2.52927000       3.25228000      19.59421000       0.76071810       0.87088949      -1.97271739
O        4.16515000       2.70168000       0.47841000       2.59521263      -0.69375694      -1.18375416
O        1.68517000       2.60513000       0.43402000      -0.02234444      -0.03016269       0.95797190
O        3.16788000       0.24854000       0.46114000      -1.65793267       0.80984950       0.29948496
O        1.51481000       4.32539000       9.94805000       0.21943715      -1.44000670      -0.71066520
O       -1.05226000       4.32909000       9.97653000      -2.59415437      -1.19435472      -1.33284796
O        0.07462000       1.84533000      10.03286000       0.02357105       0.27848503      -0.99190301
O        1.78824000       0.95018000      12.09809000      -1.96309495      -0.47574131       0.60912468
O        4.42574000       1.03042000      12.18732000       0.71457765      -1.59997627       1.51934925
O        3.14019000       3.37332000      12.23793000      -1.38559848      -1.16713942       0.62070324
O       -1.52338000       2.68025000      21.74222000      -1.89395957      -1.86674587      -0.06387161
O        1.06341000       2.49635000      21.74705000      -0.02091928       0.41201056      -0.25668078
O       -0.33616000       4.89849000      21.58699000       0.07387768       0.14908677       0.52701198
O        1.84186000       4.54103000       2.89498000      -0.96082151       0.30471897      -0.49554478
O       -1.41237000       4.50140000       2.78754000       0.99692414      -0.40328961      -1.00102981
O        0.00403000       1.79149000       2.73993000       1.55809634       0.14319034       0.54449090
O        1.79373000       0.83419000       5.30306000      -1.61878690      -0.76474261      -0.03485334
O        4.91548000       0.80764000       5.33132000       0.15693377      -0.26262326      -0.00278350
O        3.19641000       3.62414000       5.10821000       1.00298701       0.42251172       0.61811817
O        4.28073000       2.23252000      14.68803000       1.28788380       1.22914512       0.31231497
O        1.55698000       2.20469000      14.69526000      -0.25017131       0.64817088      -0.57053075
O        2.89717000       0.01731000      14.67533000      -0.78812401      -1.50813046      -1.15735975
O        1.25351000       4.18108000      24.22913000      -1.60620887       0.15588104      -0.01953970
O       -1.54346000       4.32131000      24.29678000      -0.56913860       0.54374663      -1.18308057
O       -0.35549000       1.92939000      24.29075000       1.18122389       0.47255085      -0.04534357
O        5.57211000       0.02874000      21.44784000      -0.70039186      -1.05394197       1.09039768
O        3.00199000       1.90769000       2.83471000       0.09727487      -0.34520860      -1.81822967
O        0.22494000       3.43527000      12.03533000      -1.93112586       0.99023507       2.12884169
O       -2.53056000       4.99758000       7.31758000      -0.50604322      -0.60229258       0.58127876
O        3.00124000       1.32111000      16.81045000      -2.22056699       1.88591894       0.57574122
O       -0.30181000       3.58144000      26.51998000       1.19356836       0.10878102      -0.78966081
O        0.10212000       0.29562000       0.55220000      -0.58197538      -1.16205333       0.36071340
O        3.10860000       1.88085000      10.18677000      -0.58579387      -1.12623626      -2.07561833
O       -0.28020000       3.28282000      19.45090000      -1.44859471       0.46225356      -1.93875203
O       -0.04366000       1.19012000      16.80009000      -2.38006354       0.67713944       2.66980646
O        1.46285000       3.92169000      16.69701000      -0.80428042       1.00063601       2.16955786
O       -1.72362000       4.12048000      16.97742000       0.29453309      -0.63471771       1.12309352
O        2.72520000       3.23325000      26.56413000      -0.07485107       2.43096453       0.53276586
O        1.50039000       1.05079000      26.51201000       0.90182562      -0.26103984      -0.03225513
O        4.31117000       1.03619000      26.62286000      -1.68510321       0.29187258      -1.62344570
O        0.29181000       4.95772000       7.56232000       0.03431878      -0.89375845      -1.42359983
O       -1.12359000       2.50502000       7.39620000       0.62319155       0.85762157       0.39793129
O        1.55754000       2.62341000       7.53009000       1.65520972       0.36708979       1.11225284
Zn      -0.01826000       0.17836000      27.24813000      -0.29532163      -0.87154251      -0.11737864
Zn       3.20081000       1.62513000       8.28253000      -0.05135528       0.70858460      -0.44927411
Zn      -0.23300000       2.92513000      17.48535000       0.39429646       1.56731841       0.21341396
Zn       5.48827000       0.19926000      23.44417000       1.41367973      -0.10445788      -0.57350109
Zn       3.31494000       1.72555000       4.82784000       1.20579461       0.70253289      -1.47174003
Zn      -0.04157000       3.29376000      13.93474000       0.37284857      -0.62555952       1.15214615
Zn      -2.87672000       5.10418000      12.95134000       0.32876682       0.85937136       0.94591961
Zn       2.96423000       1.94167000      23.04771000      -0.95162942      -0.27756218      -1.11430762
Zn       0.41115000       3.47587000       3.90474000      -0.24371005      -0.00794427      -0.60661173
Zn       0.03221000       0.11342000       9.17102000       1.34260633      -0.44257258       0.96692714
Zn       2.54784000       1.64662000      18.59293000       0.47314031      -1.15272654       1.11684603
Zn       0.16833000       3.58155000      28.50298000      -1.19473780      -0.94526578      -0.57192553
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.36360266 magmom=72.0103805 free_energy=-552.3643372 stress="-0.027315711951999045 -0.008722279621719968 -0.011363654851553806 -0.008722279621719968 -0.04223410456221282 -0.0051219924529309424 -0.011363654851553806 -0.0051219924529309424 -0.04275453944384507" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46491000       0.54474000      15.83367000      -1.84968516       1.10345577       0.26365600
Cr       4.34209000       0.53801000      15.73264000      -0.15683854       0.60288820      -0.61902920
Cr       2.93865000       3.23313000      15.73233000      -0.61713120      -0.25747549       0.87212830
Cr       4.18110000       2.72448000      25.37483000      -0.10329477      -0.08382360       0.13181588
Cr       1.10127000       2.53020000      25.40272000       5.87625696       2.40396613       2.84045621
Cr       2.86578000       0.08077000      25.33692000       0.23232123       0.02228772      -1.01166348
Cr       1.69437000       4.20661000       6.28814000       1.03805733       0.23482764       0.69399407
Cr      -1.10710000       4.24898000       6.27700000      -0.07404512      -1.32500665       1.38571194
Cr       0.39733000       1.63022000       6.46398000      -0.56933746       0.14126610      -0.49115395
Cr       2.58546000       4.85606000      18.20138000       0.40173198       1.25322194      -3.17815797
Cr       2.95800000       1.78388000      27.81097000       0.48556066       0.70409403      -0.32029077
Cr       0.17681000       3.37034000       8.71993000       1.01915885       1.57317388       1.98902553
Cr       0.24810000       0.18435000       3.91970000      -0.00086699      -0.61033884       1.09097662
Cr       2.99706000       1.56328000      13.45245000       0.34895336      -0.83495026       0.17857479
Cr      -0.20747000       3.39867000      22.85095000      -0.49426616       0.61194782      -0.38531965
Cr      -0.40093000       1.58205000      20.46079000       1.91738005       2.01878367       0.47326919
Cr       1.12429000       4.26277000      20.51404000      -1.04207882      -1.65811453      -0.37778413
Cr      -1.89046000       4.14343000      20.50005000       2.20980877       0.38535925       0.69471068
Cr       2.97798000       3.56709000       1.74130000       2.63121505       2.53394310      -2.64161736
Cr       1.64202000       1.11653000       1.61617000      -1.06092268      -3.24084956       0.43528540
Cr       4.51874000       1.09757000       1.66621000       0.97156139      -0.59311740      -0.11540271
Cr       3.21274000       0.00113000      11.05466000      -2.35323056       0.27465150      -0.54632471
Cr      -1.38818000       2.58265000      11.15742000      -0.64057769       0.71305513      -0.55790483
Cr       1.60637000       2.49804000      11.12512000      -0.71461934       1.16293317       0.21983825
O        0.88577000       0.59014000      19.33653000       1.57191278       1.26601806       0.50666083
O        4.25175000       0.74661000      19.26271000      -1.19334995      -0.31959547       0.58133146
O        2.54253000       3.42474000      19.38042000       0.07813647      -0.35217623       1.60205602
O        4.37002000       2.60790000       0.30748000       0.01086279      -0.04952296       1.42029792
O        1.75622000       2.66531000       0.51922000      -0.90158898       0.41169459      -0.93114144
O        3.13330000       0.30595000       0.55862000      -0.32255303      -0.18042960      -0.65483007
O        1.56115000       4.09754000       9.98823000       0.01764283       1.36281193      -0.40371583
O       -1.33715000       4.20838000       9.92215000       1.75854225      -0.08715995      -0.11552699
O        0.10585000       2.00352000       9.96306000      -0.35078898      -2.94148868       0.44107772
O        1.64126000       0.87615000      12.18438000       0.92606373      -0.06879150      -0.59655758
O        4.43156000       0.86454000      12.26516000       0.65338787       0.41900248      -0.37463170
O        2.97784000       3.13562000      12.36149000       0.68909754       1.23772327      -0.65902425
O        4.28024000       2.52118000      21.67763000      -0.33968286       0.64429781       0.49012503
O        1.07424000       2.54708000      21.69822000       0.02157867       0.07779053      -0.38530521
O       -0.28750000       4.97257000      21.51621000      -1.24481740      -0.40963597       1.67199701
O        1.75742000       4.40779000       2.89511000      -1.09826279       1.65585458       0.25684315
O       -1.38135000       4.54330000       2.77516000       0.08980149      -0.84933601      -0.43538334
O        0.25115000       1.75848000       2.77907000      -1.72235548       0.74560875       0.26263735
O        1.70569000       0.65687000       5.18198000       0.81881071       2.81894123       0.31877846
O        4.87144000       0.82011000       5.36949000      -1.08905627       0.87316103      -1.03637338
O        3.29558000       3.76418000       5.13837000      -0.68096957      -1.58807698       0.13999876
O        4.40909000       2.30147000      14.67405000      -1.28514801      -0.74788180       0.64708403
O        1.69476000       2.19535000      14.65968000      -2.04685567       0.83309565      -0.03409040
O       -0.16583000       5.02141000      14.60209000       1.32182268       0.49744511       0.23019408
O        1.08761000       4.13142000      24.07970000       1.36950822       0.71823359       1.03584712
O       -1.42957000       4.30020000      24.20463000      -1.70810070       0.23295634      -0.25867804
O       -0.09577000       1.89079000      24.33948000      -4.14769410      -1.32864681      -2.93118767
O        2.55475000       5.07556000      21.57545000       0.61722571      -0.28356810       0.07331729
O        2.94740000       2.01448000       2.66705000       2.06681541      -2.45598374       2.28410485
O       -0.06642000       3.56094000      12.10850000       1.93048785      -1.28469403      -0.49831553
O       -2.70135000       4.93148000       7.29705000       0.80271609       1.13126891       0.56177119
O        2.89995000       1.46835000      16.83215000      -0.04213739       0.16936279      -0.66993588
O       -0.17252000       3.58581000      26.42957000      -0.35209741      -0.86691561       0.64303509
O        0.12865000       0.14686000       0.68866000      -0.60285091       0.77744077      -1.10361955
O        3.09261000       1.81569000      10.06113000       0.10844901      -1.50584184       0.39418396
O       -0.31270000       3.43568000      19.38156000      -0.43864608      -1.17814063       1.08820122
O       -0.22080000       1.20990000      16.88023000       1.57735626       0.34104466      -0.11944376
O        1.39175000       4.07404000      16.81658000       0.06511773      -1.24151812      -0.09813883
O       -1.79962000       4.11899000      17.05401000      -0.23558204       0.13780610      -0.90609036
O        2.61591000       3.32488000      26.57433000       1.13743317       0.41856891      -0.59759252
O        1.67704000       0.94573000      26.59016000      -2.22387299       0.27461775      -0.01397235
O        4.19070000       1.02836000      26.43551000       0.83291902       0.11140269       0.50094810
O        0.36038000       4.87367000       7.59589000      -0.64707326       1.01072979      -2.16854532
O       -1.02269000       2.57316000       7.53525000      -0.61195684      -0.54007128      -2.00027603
O        1.75421000       2.65121000       7.57555000      -1.62472202      -0.35320484      -1.34541682
Zn      -0.02061000       0.16018000      27.24548000      -0.41899519      -0.68983759       0.21857224
Zn       3.23075000       1.61851000       8.18137000       0.63857959       0.22731750      -0.16594009
Zn      -0.30432000       3.00115000      17.47671000       0.75117002       0.74571038       0.23406686
Zn       5.59978000       0.21431000      23.48098000       0.35201330      -1.43811709       0.13332057
Zn       3.27435000       1.93014000       4.74253000      -0.18036171      -1.50245737      -0.73009060
Zn      -0.08106000       3.26836000      13.92070000       1.28830532      -0.87573592       1.25360140
Zn       0.20383000       0.02589000      13.05588000      -1.11563260      -1.07789535       1.18262864
Zn       2.96721000       1.94547000      23.00096000      -1.29221860      -0.58125649      -0.68126774
Zn       0.29064000       3.36498000       3.94355000      -0.13882987       0.87661286      -0.38191143
Zn       0.15320000       0.15156000       9.19151000      -0.28200305      -0.66838881       1.35632840
Zn       2.56191000       1.72333000      18.70592000      -0.12858123      -2.12983547       0.24016828
Zn       0.13359000       3.52775000      28.53420000      -0.48408265       0.44350749      -0.49696841
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.57743701 magmom=72.0068572 free_energy=-552.5774432 stress="-0.026162406120412665 -0.00018255824370596135 -0.002669694754292598 -0.00018255824370596135 -0.04963591423540513 0.0031775423470216204 -0.002669694754292598 0.0031775423470216204 -0.03604650486109503" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51456000       0.58923000      15.82339000      -3.12727552       0.81773142      -0.43836109
Cr       4.39328000       0.48934000      15.68676000       0.11286954       1.49889644       0.86715485
Cr       2.85060000       3.20354000      15.72291000      -0.97995003       1.43022041       0.29800744
Cr       4.19205000       2.67083000      25.34606000      -0.10600023       1.33953940      -1.94578471
Cr       1.19073000       2.49933000      25.47484000       1.75675899       0.46701192      -2.71923632
Cr       2.93995000       0.01889000      25.34491000      -2.59773440       0.40889196      -1.28137603
Cr       1.68671000       4.24789000       6.27134000       1.09577779       0.21124875      -0.90502082
Cr      -1.15861000       4.20710000       6.40068000      -1.47160734       1.55258474      -2.76667274
Cr       0.32525000       1.67590000       6.37491000      -0.05881052      -0.14152641      -1.53936258
Cr       2.59689000       4.99616000      18.10425000       0.25711072      -0.61981745       2.32143834
Cr       2.98994000       1.80943000      27.81885000      -0.13671242       0.44509821      -0.82065275
Cr       0.25928000       3.42011000       8.77330000       0.05798196      -1.43885296      -1.72038214
Cr       0.15544000       0.12771000       3.96107000       1.46708771       0.54058644       0.39426419
Cr       3.01866000       1.54330000      13.46476000      -0.06327950      -0.75326827      -0.08971591
Cr      -0.21038000       3.43995000      22.80151000      -1.29335668      -1.04753506       2.35859549
Cr      -0.39128000       1.62531000      20.61523000       1.71525863       0.67307056      -1.24285025
Cr       1.14784000       4.36374000      20.49391000      -2.12248193      -3.19407505       1.09884375
Cr      -1.79057000       4.21196000      20.50155000      -1.14304584      -0.06452766       1.11206646
Cr       2.98999000       3.60838000       1.69609000       1.51458654      -0.34873829      -0.24239321
Cr       1.67212000       1.11077000       1.63821000      -0.68271918      -2.05192535       0.57813962
Cr       4.65157000       1.06943000       1.69588000      -1.52255355      -0.80819168      -0.79056430
Cr       0.19288000       5.08989000      11.04108000       0.09805995      -2.43332133       1.48588877
Cr      -1.40539000       2.61001000      11.08473000      -0.32450847      -2.76287374       0.69429690
Cr       1.66128000       2.42337000      11.17326000      -2.84348163       1.40262825      -1.84606889
O        1.01078000       0.67734000      19.30601000      -0.81570418       0.38077546       0.44337711
O        4.11114000       0.84062000      19.45423000       1.62728009      -0.51016380      -1.41945711
O        2.58899000       3.54692000      19.41151000      -0.18360445      -0.16064840      -0.68122461
O       -1.38174000       2.45673000       0.38073000      -1.82627407       1.13059313      -0.15868996
O        1.71159000       2.76358000       0.49874000       0.64763661      -1.16955231      -0.15505110
O        3.04281000       0.35127000       0.52849000       0.71069149      -0.57913959      -0.95272568
O        1.56171000       4.06451000       9.99009000       0.62987701       0.91736378       0.30213033
O       -1.28129000       4.02083000       9.83897000       0.61750580       1.68410976      -0.14736244
O        0.08012000       1.79516000       9.95906000       0.29658304       2.11927001       0.68838680
O        1.68810000       0.81595000      12.17880000       0.29369973      -0.73710050       0.07052258
O        4.47809000       0.77346000      12.28513000      -0.41466342       1.09478457      -0.41856426
O        2.95388000       3.08361000      12.36172000       1.72258037       1.72635964      -0.68926664
O        4.16880000       2.49604000      21.64174000       0.38050918       1.17416195       0.64939173
O        1.01574000       2.66969000      21.57248000       0.86453447      -1.00376674       0.37305438
O       -0.39588000       4.87932000      21.69819000       0.62762857       2.34156740      -1.20820143
O        1.61325000       4.57876000       2.85348000       1.11275592      -1.34243505       0.17976962
O       -1.40691000       4.46348000       2.64901000      -0.55391953       0.06475332       1.20029550
O        0.23209000       1.74252000       2.82962000      -0.36314922       0.10520388      -0.06196892
O        1.65890000       0.89120000       5.17142000      -0.21725766      -0.78600241       0.37254943
O        4.71091000       0.91524000       5.25806000       0.87923373      -0.66551645       0.13955104
O        3.27991000       3.73740000       5.23659000      -0.75580419       0.33840425      -0.26189074
O        4.28199000       2.25073000      14.78421000       0.72540448       0.46746001      -1.06867405
O        1.53042000       2.30853000      14.59583000       0.28906126      -1.03377539      -0.14065796
O       -0.06435000       5.04533000      14.60429000      -0.00359495      -0.47667552       0.00428911
O        1.07680000       4.15550000      24.12823000       1.40902267      -0.25535165       0.13647222
O       -1.56977000       4.28503000      24.08458000       0.77387442      -0.42507221       1.41223609
O       -0.34265000       1.89896000      24.10903000       0.81141671       0.56272812       1.42530679
O        2.58706000       4.95706000      21.61294000       0.60856570       1.34302119      -0.33497936
O        3.22057000       1.80252000       2.68937000      -1.58056203       1.75599423       0.17245988
O       -0.01369000       3.44571000      12.06878000       1.18824398      -0.89931009       0.33867893
O       -2.74172000       5.06935000       7.34599000       0.52391222       0.11745857       0.32318405
O        2.75736000       1.65800000      16.73124000       1.22594996      -1.77616590       1.89965503
O       -0.11855000       3.46172000      26.36103000      -1.21054809       0.35533116       1.76548170
O        0.05316000       0.13026000       0.65132000       1.16523544       0.40750522      -1.04360655
O        3.03942000       1.49291000      10.00981000       0.35706496       2.51841702      -0.81763194
O       -0.43559000       3.35622000      19.51273000       1.45917392      -0.54218465      -1.35700363
O       -0.17003000       1.30785000      16.90742000       0.51431770       0.49113892      -1.89625284
O        1.32601000       4.04960000      16.89101000       0.49435438       0.21477593      -0.95415956
O       -1.90575000       4.15601000      16.93773000       1.02007216       0.10064289      -0.07546994
O        2.71587000       3.48446000      26.42638000       0.09305686      -1.87074735       0.68931474
O        1.55471000       0.92487000      26.60023000       0.62365284       0.74633960       0.19697825
O        4.17843000       1.05403000      26.33609000       0.89758090      -0.55525224       2.37400338
O        0.29144000       4.87294000       7.30332000       0.08337600       1.71818356       3.27908352
O       -0.95511000       2.61012000       7.39862000      -1.85226611      -0.48337318       1.71944117
O        1.64390000       2.64051000       7.40339000       0.67420703      -0.20817681       1.09974146
Zn      -0.04633000       0.10702000      27.25913000      -0.62215876       0.00653804       0.11660635
Zn       3.28581000       1.63635000       8.06399000      -0.12981377       0.45122359      -0.40527750
Zn      -0.33528000       3.12457000      17.48621000       0.26167125       0.39110307       1.21837407
Zn       5.73623000       0.14232000      23.52079000      -0.45827011      -1.17810453      -0.12213456
Zn       3.22863000       2.05027000       4.61461000      -0.44703700      -2.79130104      -0.63974026
Zn      -0.05979000       3.19472000      13.97191000      -0.20414762      -0.16485630       0.42595549
Zn       0.27573000       0.00895000      13.22762000      -1.40820275      -0.75084129       0.58450489
Zn       2.89864000       1.91732000      22.93460000      -1.17309880      -0.59528987       0.02096453
Zn       0.16197000       3.30217000       3.97777000       0.07630479       1.45744838      -0.34263171
Zn       0.26546000       0.14543000       9.27256000      -0.53449663      -2.16843807      -0.09569529
Zn       2.56497000       1.69595000      18.83193000      -0.45489896       0.41704253      -0.22876891
Zn       0.07553000       3.50253000      28.53740000      -0.07853795       1.40668692      -0.80492727
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.75204699 magmom=71.9995881 free_energy=-552.75204699 stress="-0.039415934991279086 0.008018246679685915 0.0107634086380497 0.008018246679685915 -0.03680857088062685 -0.0031171615757982236 0.0107634086380497 -0.0031171615757982236 -0.036168048152559834" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39555000       0.68175000      15.78778000       1.95444249      -0.20393610      -1.40250893
Cr       4.46906000       0.52429000      15.74117000      -2.28975307       2.73853378      -1.42920273
Cr       2.71434000       3.23184000      15.76475000       1.70199044      -1.63944265      -0.49591487
Cr       4.18091000       2.65705000      25.27489000       1.38389426      -2.23115217       1.36998564
Cr       1.40905000       2.51869000      25.44773000      -2.91631422       1.30335786      -2.01644056
Cr      -0.06724000       5.09969000      25.30890000      -0.20411916       0.50554438       1.93373205
Cr       1.70136000       4.30473000       6.25282000      -2.27994013       0.95959594       2.29498589
Cr      -1.25819000       4.24811000       6.40260000       0.50392754       2.00259055      -0.47407368
Cr       0.23335000       1.74763000       6.23209000      -0.90882200       1.46821800       1.83269607
Cr       5.55275000       0.01249000      18.06912000       1.13131504      -0.88153073       2.40554449
Cr       3.00768000       1.86728000      27.78915000      -0.52090594      -1.35491025      -0.43301455
Cr       0.36335000       3.40282000       8.75317000      -0.80838127      -0.45378000      -1.69595958
Cr       0.15093000       0.10037000       4.02432000       0.90516916       0.98935841      -1.37722196
Cr       3.04212000       1.48531000      13.44904000      -0.29386208       1.30783105      -1.36061261
Cr      -0.27049000       3.45185000      22.86697000       0.86290788       0.58959524       0.74726223
Cr      -0.28978000       1.70230000      20.67826000      -1.13937455      -1.15895779      -1.66331166
Cr       1.08436000       4.29431000      20.49360000       1.38179226       0.00154185       0.72130483
Cr      -1.74003000       4.28456000      20.53176000      -1.61874843      -0.30376418      -0.24796182
Cr       3.08967000       3.64232000       1.60607000      -0.85434789      -2.47220958      -0.69479294
Cr       1.67709000       0.97180000       1.65989000       0.42181017       0.79613916      -0.87669289
Cr       4.68554000       1.00006000       1.66965000      -2.48902214       0.02762965      -1.65724490
Cr       0.14097000       4.95481000      11.09179000       1.66246107       0.89015885      -0.30940321
Cr      -1.42939000       2.50329000      11.04116000       1.11067155      -0.82447899      -0.11736734
Cr       1.58772000       2.43244000      11.12274000       3.26025899      -0.30849414      -0.59091002
O        0.98373000       0.81209000      19.44560000      -0.33185932      -0.61365939      -1.08639026
O        4.24967000       0.81508000      19.44845000      -0.15045237      -0.06311079      -1.14970294
O        2.60974000       3.60078000      19.42542000       0.02398703       0.03481782      -1.05118389
O        4.31220000       2.49406000       0.45423000       1.54532621       1.94926916      -0.22068934
O        1.75387000       2.66856000       0.43569000      -0.84959728       0.05753274       0.69734997
O        3.07620000       0.29858000       0.34411000      -0.01128825      -0.05982832       1.49097851
O        1.59929000       4.18888000      10.02808000       0.63512699      -0.66593434      -0.70091645
O       -1.05465000       4.07189000       9.81335000      -1.52529425       0.49332156       0.70567044
O        0.12345000       1.87529000      10.04144000       0.44158771      -1.37863322      -2.20016743
O        1.82236000       0.71966000      12.16940000      -2.42928295       0.36768834       0.86202735
O        4.39139000       0.89808000      12.20750000       0.91520164      -0.78672837       0.52085545
O        3.19885000       3.27146000      12.20301000      -1.63742872      -0.36176975       1.30226643
O        4.21655000       2.70933000      21.70066000      -0.18104056      -0.59978385       0.75630131
O        1.03283000       2.67806000      21.57842000       1.18362462       0.06291610       2.03313734
O       -0.39165000       5.04648000      21.72110000       1.07270059       0.42740847      -0.13638720
O        1.75704000       4.54290000       2.79786000      -0.39847472      -1.36906651       0.11702851
O       -1.54671000       4.43984000       2.74500000       2.19670889       0.12430215       0.76937480
O        0.12601000       1.67728000       2.82997000       1.34506619       0.81222063       0.04380640
O        1.57904000       0.99150000       5.21675000       1.07193379      -1.76601915      -1.11261552
O        4.71982000       0.87744000       5.16429000      -0.74751568       0.22918892       0.58666733
O        3.14355000       3.73729000       5.26123000       1.19384922      -1.39503489      -0.83661143
O        4.17984000       2.25411000      14.75907000       1.40960199       1.04544912       0.16316100
O        1.50445000       2.20877000      14.56501000       0.89729819       0.11691266       0.27598663
O        0.03406000       5.07025000      14.67505000      -1.03825007      -1.39379954      -0.29517580
O        1.25666000       4.14578000      24.22213000      -0.49916530      -0.04146469      -0.52391468
O       -1.52824000       4.18114000      24.22250000       0.56409192       2.01902085      -0.46799419
O       -0.45064000       1.99558000      24.08131000       2.57833135      -2.73230676      -0.08159439
O        2.69514000       5.08178000      21.52295000      -0.78153260      -0.14951921       1.75665880
O        3.25147000       1.83364000       2.65586000      -1.58120287       0.40770908      -1.10487419
O        0.21608000       3.17469000      12.04174000      -2.39544017       1.86567475       2.45377981
O        0.27223000       0.14281000       7.37154000      -0.59451654      -1.01808908      -0.25422152
O        2.80171000       1.58258000      16.87201000       0.29718491      -0.47123193      -0.05660748
O       -0.23029000       3.38450000      26.45863000       0.98973365       0.60976174      -0.83608551
O        0.16440000       0.19666000       0.50579000       0.55031334      -0.27912926       1.38906170
O        3.04756000       1.53574000       9.96409000       0.04879637       0.67499160       0.12675214
O       -0.34244000       3.23437000      19.52561000       0.11185256       1.99263198      -1.33938970
O       -0.02144000       1.47399000      16.65960000      -1.65621975       0.32659351       2.37040587
O        1.34905000       4.04767000      16.80095000       0.02171163       0.84252496       1.38000217
O       -1.87654000       4.23247000      16.80994000      -0.12121314      -0.51494906       1.67559261
O        2.84193000       3.31566000      26.37625000      -0.63535257       1.22285376       2.16714801
O        1.52420000       1.04034000      26.58651000       0.85817530      -1.30333788      -0.16725992
O        4.28584000       0.99242000      26.55016000      -1.24949264      -0.05756333      -1.54050654
O        0.21034000       5.03153000       7.42599000       0.45605038      -2.43731305      -0.37319089
O       -1.13545000       2.61813000       7.41157000       1.91091021       1.27390627      -0.21138395
O        1.55256000       2.64423000       7.33070000       1.03609730       0.50911733       0.51928730
Zn       5.79972000       0.04902000      27.27378000       0.30112214       0.12314933      -1.14965590
Zn       3.32959000       1.67788000       7.93390000      -2.13840345       0.31511787       1.68516395
Zn      -0.34537000       3.26871000      17.54080000       0.23510430      -0.23589212       0.19880388
Zn       5.84135000       0.01109000      23.55432000      -1.36908965       0.96701424      -0.55022219
Zn       3.15803000       2.02961000       4.47017000      -0.16746402      -1.64259720       1.24964826
Zn      -0.05142000       3.11391000      14.04040000      -0.95677311       0.81105065      -0.57105800
Zn      -2.68231000       5.05436000      13.43826000      -0.68231358      -0.59844472      -1.47868355
Zn       2.76672000       1.85538000      22.87718000      -0.32457371      -0.38548251      -0.56757519
Zn       0.03501000       3.31615000       4.00776000       0.30225332       0.86306737      -0.81628784
Zn       0.34588000       0.04715000       9.36309000      -0.62326646      -0.14477975       0.27039474
Zn       2.55935000       1.68252000      18.93455000       0.87832201       0.67846010      -0.68952362
Zn       0.01681000       3.54283000      28.50503000       0.04739001      -0.50564257      -0.46031816
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.40218518 magmom=72.0022391 free_energy=-552.40218518 stress="-0.03366893638921335 -0.0011228685381151707 0.0003324434541642764 -0.0011228685381151707 -0.027518747906822537 -0.004904386156924754 0.0003324434541642764 -0.004904386156924754 -0.03241232190373003" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33907000       0.73296000      15.72994000       1.74684030      -2.10696785       1.38611434
Cr       4.45009000       0.68489000      15.82653000      -3.34832675       0.97439001      -2.39727780
Cr       2.67952000       3.20365000      15.81689000       2.87971821      -0.05819329       0.77568742
Cr       4.24317000       2.53353000      25.30097000       1.70401062       0.03203725       0.37258454
Cr       1.49273000       2.59907000      25.34413000      -2.30299609      -1.03188148       0.09598069
Cr       2.82685000       0.00472000      25.39720000       2.14141048       0.21619668       0.42069250
Cr       1.61358000       4.38772000       6.33701000       1.76702149      -0.73355701      -1.05675170
Cr      -1.32424000       4.38892000       6.35977000       0.87759097      -0.30426325      -0.31830117
Cr       0.12768000       1.89074000       6.18327000       1.74039646      -0.95195632       0.80533276
Cr       5.59781000       0.07647000      18.07532000       1.22465152      -1.21835418       0.39208416
Cr       2.98912000       1.84836000      27.74781000      -0.65444273      -1.25752633       2.03121445
Cr       0.40410000       3.35729000       8.64939000      -1.65133826       0.53427947       2.24611584
Cr       0.19217000       0.11619000       3.99662000      -0.73874463      -0.86724144      -1.17845144
Cr       3.05252000       1.49308000      13.37015000      -0.29667170       0.78866959       0.68833643
Cr      -0.26606000       3.47179000      22.99816000       2.70744869       0.29782196      -0.16972692
Cr      -0.24453000       1.73421000      20.63698000      -1.58096163       0.73452675       0.03523170
Cr       1.11792000       4.21948000      20.52063000       2.56619181       2.49093126       0.78201852
Cr      -1.79530000       4.34316000      20.55561000       0.48157975      -0.25645252       0.25455418
Cr       3.13192000       3.55918000       1.50161000      -1.51112937       0.94783046       1.97316539
Cr       1.70951000       0.88511000       1.62401000      -1.16121417       1.46931341       0.35670201
Cr       4.58698000       0.93882000       1.57335000       1.16141637       0.45167620       0.87324779
Cr       0.17822000       4.86907000      11.15773000       0.41333335       1.80681768       0.48168307
Cr       4.51191000       2.35802000      11.01536000       2.24558140       2.67686939       0.18704508
Cr       1.63927000       2.44582000      11.06269000       0.43135698       0.27792372       1.19236160
O        0.88985000       0.80584000      19.42200000       2.43404293       0.64353937      -0.39304036
O        4.36764000       0.78965000      19.30283000      -2.00319236       0.90988073       1.83911740
O        2.63609000       3.66150000      19.31404000       0.16044177      -1.26130724       1.12870901
O       -1.55346000       2.75883000       0.38835000       0.35860390      -3.04344145      -1.20937983
O        1.69436000       2.56246000       0.47371000      -0.22387014       0.72629290      -1.12284800
O        3.13305000       0.27986000       0.41382000       0.46237489      -0.11346616      -0.51504569
O        1.66089000       4.16285000       9.96771000      -0.52763554      -0.46790803       0.21344675
O       -1.01082000       4.16698000       9.90968000      -0.21994743      -1.99428931      -0.53754985
O        0.24356000       1.84686000       9.83009000      -0.46947358      -1.01261717       0.57954991
O        1.65354000       0.71531000      12.24061000       0.46774084       0.23381474      -0.56391346
O        4.39378000       0.89350000      12.19908000       0.91755398      -1.85108190       0.38709764
O        3.20339000       3.29313000      12.19813000      -1.11742091      -1.39535931       0.69259545
O       -1.60497000       2.85251000      21.83556000      -0.75629587      -1.27699560      -1.01302167
O        1.13198000       2.69671000      21.86067000      -0.65091344      -0.09947730      -1.64919750
O        2.72985000       0.12051000      21.63427000      -0.70625252      -1.49984212       0.29945486
O        1.90147000       4.33421000       2.74736000      -1.68769275       1.60929697      -0.04753048
O       -1.37631000       4.45118000       2.91351000       0.61534036      -0.74789935      -1.50298871
O        0.19661000       1.65672000       2.77504000      -0.63539925       0.33443917      -0.15557824
O        1.58380000       0.80718000       5.15220000       0.12272438       1.56235115       0.48719005
O        4.67569000       0.85325000       5.19776000      -0.73569181       1.04352038      -0.44752593
O        3.14994000       3.63524000       5.20901000      -0.32710775       0.38510709       0.31427228
O        4.23797000       2.37159000      14.72597000      -1.06414800      -0.79394015       0.73895388
O        1.69573000       2.15019000      14.58441000      -1.94329418       1.80744662      -0.50630169
O       -0.01940000       4.96298000      14.68895000       0.06435799       1.05197773       0.16950279
O        1.29162000       4.12666000      24.23779000      -0.54573915       0.99496002      -0.52281070
O       -1.37248000       4.27758000      24.32583000      -2.58081927      -0.84369630      -0.97514683
O       -0.14184000       1.76483000      24.10536000      -0.15843525       1.81226030       1.18870353
O        5.63471000       0.08615000      21.63427000      -0.25397355      -0.88384486      -0.37621727
O        3.02103000       1.92556000       2.43112000       2.36721711      -1.35206728       2.57575841
O        0.14981000       3.17526000      12.23318000       0.22021072       0.38051944      -2.22164722
O        0.23007000       0.16419000       7.31463000      -0.99187042       0.12129899       0.60295070
O        2.88049000       1.42072000      16.94556000      -0.59078835       1.00959840      -0.90949500
O       -0.16732000       3.41194000      26.36272000       0.74407757      -0.49020066       0.38757322
O        0.31910000       0.17935000       0.58751000      -2.42613616      -0.58629955      -1.82298320
O        3.08050000       1.75477000       9.93959000      -0.17240015      -1.43673388      -0.60188681
O       -0.20979000       3.42069000      19.44159000      -1.32263250      -0.32182800       1.75097727
O       -0.09225000       1.65242000      16.74790000       0.47483725      -1.00017595       0.99717322
O        1.40261000       4.20018000      16.88324000      -0.08540151      -0.31139597       0.38195886
O       -1.88275000       4.26381000      16.93133000      -0.79851714       0.41098455      -0.36226372
O        2.85058000       3.32709000      26.57017000       0.33177191       0.27139077      -1.57213964
O        1.64682000       0.98073000      26.50111000      -1.47096747       0.29741259       0.69183629
O        4.17711000       0.91672000      26.49146000       1.04589459       0.41007340      -0.34017194
O        0.22428000       4.85756000       7.52159000      -0.32410085       3.29129033      -0.73013310
O       -1.03288000       2.81848000       7.42007000      -1.38238735      -1.68649725       0.04665495
O        1.62635000       2.72958000       7.34081000       0.47344622      -1.12195378      -0.77942459
Zn       5.76086000       0.00509000      27.24334000       0.87636817       1.11982921       0.23805946
Zn       3.28002000       1.72944000       7.87901000      -0.37470840      -0.06584063       1.03096217
Zn      -0.34000000       3.39718000      17.59346000       0.59195957       0.12235161      -1.15364687
Zn       2.91864000       5.04022000      23.56452000      -0.80175034       0.01656860      -0.16669162
Zn       3.08009000       1.91539000       4.37876000      -0.08480755      -0.79129645       0.34527319
Zn      -0.08500000       3.07956000      14.08567000       1.05514602       0.71210216       0.02212194
Zn      -2.72785000       4.96056000      13.58308000      -0.32045182      -0.42283738      -2.04032056
Zn       2.62376000       1.77705000      22.81278000       0.72137098      -0.01578401       0.04103872
Zn      -0.06897000       3.37932000       4.00594000       0.75552694       0.32838014      -0.98395705
Zn      -2.56498000       5.04656000       9.44918000      -1.01063449       0.52251522      -0.55894567
Zn       2.59640000       1.70563000      18.99118000       0.61087805      -0.09958657      -0.90356161
Zn      -0.02991000       3.56382000      28.44516000       2.05024800      -0.05442914      -0.69521061
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.23522361 magmom=71.9955872 free_energy=-553.23522361 stress="-0.03785814789864646 -0.007147821183585705 -0.011705981847766084 -0.007147821183585705 -0.03636772759229617 0.002274232111925722 -0.011705981847766084 0.002274232111925722 -0.03377831712022945" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37079000       0.67141000      15.76218000      -0.47657008       1.29777826      -0.83070446
Cr       4.30584000       0.85306000      15.89751000       0.94740936      -2.86942025      -1.41165057
Cr       2.79640000       3.18952000      15.91928000      -1.63667595       1.70350385      -0.98837506
Cr       4.39273000       2.41367000      25.38806000      -0.07894805       3.47313329      -1.61287965
Cr       1.45778000       2.62292000      25.26876000       2.43586706      -0.58381632       2.09810669
Cr       2.85476000       0.02285000      25.50079000      -1.23813269      -0.50283895      -2.57156992
Cr       1.60934000       4.42895000       6.36310000       0.90106419      -0.09005472      -2.26328283
Cr      -1.33336000       4.49794000       6.32234000      -0.08331795      -1.73509815       0.90020797
Cr       0.11667000       1.97909000       6.19069000       0.87786358      -2.23502369      -0.64246258
Cr       5.66261000       0.09450000      18.05895000      -0.59660872      -0.34760238       4.92245624
Cr       2.93896000       1.77520000      27.78213000      -0.46849609       0.05969171      -1.60181428
Cr       0.34094000       3.35034000       8.64767000      -0.64166728       0.30493534      -0.26761897
Cr       0.19650000       0.08789000       3.88333000      -0.65832602      -0.29897126       0.91875500
Cr       3.03844000       1.53593000      13.33882000      -0.94915827      -1.88517416       2.42725834
Cr      -0.13673000       3.50347000      23.09126000      -1.79911706      -0.17792294      -2.72214446
Cr      -0.29752000       1.79318000      20.58693000      -0.18569551       0.75744387       0.84278030
Cr       1.28486000       4.29076000      20.58383000      -1.92477870       0.49558007       0.16640290
Cr      -1.82126000       4.37610000      20.59448000       2.58961620      -0.69271928       0.57507787
Cr       3.07711000       3.48382000       1.48149000       0.22645762       0.16318622       0.51891453
Cr       1.67471000       0.90211000       1.56957000      -1.09222404       0.44932916      -0.15210883
Cr       4.56152000       0.91418000       1.52218000       2.25570163       0.55942490       0.67889115
Cr       0.23243000       4.89456000      11.22687000      -1.22259077       1.49302043      -2.95063381
Cr      -1.24169000       2.33904000      11.00508000      -0.35514961      -0.66862895       0.18765945
Cr       1.72970000       2.45133000      11.05715000      -1.97339902      -1.19842610      -0.63001963
O        1.10560000       0.85902000      19.33375000      -2.00899214      -0.54386536       0.72361838
O        4.26224000       0.85801000      19.43698000       1.62454704      -0.57199005      -0.41725495
O        2.70159000       3.58966000      19.39636000       0.01932836       0.76518637      -0.35798850
O        4.38851000       2.49567000       0.19522000       0.09923656       0.64993188       1.28202021
O        1.62786000       2.57848000       0.38709000       0.75120902      -0.18035392       0.48695685
O        3.18879000       0.24250000       0.42413000      -1.69513124      -0.54149718      -1.04261845
O        1.59102000       4.02705000       9.95845000       0.87406930       1.30663553       0.24462285
O       -0.99339000       3.91868000       9.95637000      -1.13981223       1.52688721      -0.49790859
O        0.28278000       1.71559000       9.72801000      -0.17593366       0.60674290       1.42190997
O        1.63395000       0.79503000      12.19180000       0.73930098      -0.95740398      -0.07250539
O        4.50044000       0.65607000      12.25247000       0.43303283       1.19542285       0.90992093
O        3.02840000       3.02108000      12.29895000       1.96598509       2.60305549      -0.75624189
O       -1.57842000       2.78737000      21.79894000      -0.37004208      -0.55987106       0.25119613
O        1.07175000       2.72633000      21.81998000       0.86051088      -0.85569309      -0.93721869
O       -0.18680000       5.08189000      21.62070000      -0.92654236       0.37393708       1.79547099
O        1.82068000       4.44082000       2.66278000      -0.15636037      -0.55027025       0.28229224
O       -1.21085000       4.42022000       2.75650000      -2.07702196       0.10379841      -0.91793931
O        0.18630000       1.62512000       2.68678000      -0.03931281       0.47695918       0.00783835
O        1.54101000       0.86483000       5.15343000      -1.02618331       1.13148540      -0.47553049
O        4.57705000       0.98071000       5.20561000       1.13477913      -0.49021704      -0.53498923
O        3.12897000       3.65457000       5.21252000      -0.23179016       0.39772076      -0.68877125
O        4.12544000       2.34913000      14.78611000       1.58907240       1.29929212      -1.02240023
O        1.60414000       2.37044000      14.56539000       0.10731525      -0.98944048       0.90098772
O       -0.07280000       5.08763000      14.71517000       0.16479294      -0.57707978      -0.19706504
O        1.19411000       4.25303000      24.20532000       1.03377270       0.80025595       0.53000365
O       -1.49935000       4.23917000      24.30694000       1.18406038      -0.90926293       0.87908513
O        0.11487000       1.85757000      24.31314000      -2.83263561      -1.17822054      -2.12101549
O        5.59611000       0.06069000      21.62790000       0.51379644       0.73991246       0.33195666
O        3.15845000       1.79554000       2.51887000      -0.49689113       0.44102850      -1.04035079
O        0.07946000       3.27896000      12.07113000       0.87016386      -1.88825224       2.20177516
O        0.05972000       0.16769000       7.31061000       1.25437147       0.43149642       0.72889815
O        2.82949000       1.46411000      16.79448000      -1.34980236       1.08702970       2.21870052
O        0.02672000       3.38230000      26.29757000      -0.88607347       0.06922926       2.01116173
O        0.11044000       0.06269000       0.49596000       0.83548338       0.05619338       0.16252467
O        3.12978000       1.73618000       9.92429000       0.54164602      -1.23448571       0.45122486
O       -0.29821000       3.56870000      19.66503000       0.23629793      -1.11998847      -2.20928544
O       -0.13749000       1.65688000      16.97038000       0.18515674      -0.11737995      -1.43156945
O        1.41491000       4.28883000      16.98062000      -0.30877027      -0.55905170      -0.88464405
O       -1.95630000       4.31173000      16.96485000       2.05871659      -0.71864952      -0.38683275
O        2.88648000       3.33697000      26.49097000       0.45688452      -1.20349495      -0.29488566
O        1.53848000       0.95670000      26.54044000       0.06365040       0.61279657       0.38531998
O        4.24180000       0.90359000      26.40406000       0.36890019      -0.75336955       2.29666595
O        0.19028000       5.08172000       7.47813000      -0.41400749      -1.33100499       0.20044235
O       -1.06656000       2.80642000       7.38507000      -1.12644526       0.37748900       0.37664221
O        1.65678000       2.70136000       7.24057000      -1.30421972       0.42236783       0.70744837
Zn       5.77074000       0.02053000      27.21327000       0.85774638       0.15918807      -0.50258505
Zn       3.20404000       1.77582000       7.88742000       0.50502747       0.91725169       0.98771571
Zn      -0.30297000       3.52525000      17.60542000       0.71710182      -0.21839861       1.15715463
Zn       2.89216000       4.98049000      23.56315000      -0.84850484       1.05564844      -0.27444562
Zn       3.00418000       1.76721000       4.32812000       0.38813004       0.75508875       2.05098480
Zn      -0.07382000       3.08728000      14.12519000      -0.22076084       1.12008054      -0.79002724
Zn      -2.79172000       4.85107000      13.62860000      -0.52487779       0.24455135      -1.73067147
Zn       2.52686000       1.69710000      22.75843000       1.21882429      -0.06067007      -0.12420597
Zn      -0.11860000       3.44964000       3.97168000       1.19361475      -0.34047518      -0.19663328
Zn      -2.57792000       4.95861000       9.49836000      -0.45119506      -0.41827335      -0.78636039
Zn       2.66791000       1.72920000      19.00071000       0.66737663       0.46571037      -0.58424360
Zn       0.02572000       3.57808000      28.34714000       0.24428053      -0.79504343      -0.29959629
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.67651172 magmom=72.0010903 free_energy=-552.67651172 stress="-0.051540421685074694 -0.0011764901856193657 -0.0016740298386458644 -0.0011764901856193657 -0.03974514430138413 0.007043756901386438 -0.0016740298386458644 0.007043756901386438 -0.04698662090850552" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35281000       0.67127000      15.78831000      -1.47740375       2.23741086      -0.45908117
Cr       4.22647000       0.85386000      15.97458000       0.52819051       0.05648447      -1.48899908
Cr       2.83968000       3.29991000      15.97405000      -1.20005017       0.58449654      -2.49668093
Cr      -1.37433000       2.45672000      25.44905000      -0.86803725      -0.52035757       0.04811930
Cr       1.52098000       2.58260000      25.31667000      -1.05599781      -0.36517064      -1.10686275
Cr       2.83707000       0.03095000      25.50434000      -0.47771585       0.06300431      -0.48816384
Cr       1.66906000       4.46347000       6.26218000      -1.26434623       0.45230550       0.08856666
Cr      -1.34437000       4.50716000       6.32931000      -1.25774231      -0.45787355      -0.94313703
Cr       0.13535000       1.95393000       6.17701000      -2.58677099       0.15860054       0.96271915
Cr       5.67579000       0.10454000      18.21329000       0.64059669      -1.11808781      -0.41407564
Cr       2.86998000       1.69932000      27.75361000       1.93662022       0.38457395      -0.42016345
Cr       0.22456000       3.36381000       8.66347000      -0.12743936       0.58887493      -0.11777001
Cr       0.15109000       0.04531000       3.79491000      -0.32572043       1.53885120       0.31116278
Cr       2.97580000       1.50641000      13.44260000       0.86750439       1.21898048      -0.11581768
Cr      -0.08205000       3.50852000      23.02896000      -1.28931409      -2.63480072       0.63394319
Cr      -0.35962000       1.88953000      20.57721000       2.44458208      -1.50618794       0.36166841
Cr       1.34561000       4.39891000      20.65269000      -2.34164174      -1.94091970      -0.25099490
Cr      -1.70582000       4.36537000      20.66193000      -0.42596056      -0.12052584      -0.21825961
Cr       3.01638000       3.41061000       1.46926000       1.39992203       0.59105113       0.34530610
Cr       1.58382000       0.96123000       1.46408000       0.30122258      -1.30985144      -0.00237100
Cr       4.65230000       0.91527000       1.49800000      -1.90741195      -0.77891707      -0.79860304
Cr       0.23889000       4.98093000      11.16290000       0.75078404      -1.92071603      -0.80296862
Cr      -1.10981000       2.29572000      11.02445000      -2.79009738      -0.20407084       2.43519345
Cr       1.73912000       2.39332000      11.03608000       0.58214885       0.14763180       0.89315216
O        1.04645000       0.83597000      19.40469000       1.26903721       0.87214952       0.82239398
O        4.37781000       0.83257000      19.51660000      -1.56942173       0.25670915      -1.48260307
O        2.77356000       3.65828000      19.48240000      -0.58573335      -0.17785407      -0.17857142
O        4.37249000       2.28372000       0.23276000       0.39934445       2.98080492      -0.35040558
O        1.68032000       2.59167000       0.37272000      -0.98782753      -0.24473335      -0.33165119
O        2.98208000       0.16566000       0.28999000      -0.06405312       0.53390119       1.04763844
O        1.58878000       4.05776000       9.99393000      -0.07980280      -0.05432347      -0.88647937
O       -1.12444000       3.88710000       9.91567000       0.81689875       0.86654496       0.63498717
O        0.29068000       1.73239000       9.89627000       0.58369397      -0.78689057      -1.47303504
O        1.83166000       0.73956000      12.10259000      -1.47625545      -0.10234556       1.04877113
O        4.56494000       0.62401000      12.40574000      -0.62578637       0.87777359      -0.34681513
O        3.15539000       3.04925000      12.24732000       0.56267553       0.41764532       0.06127539
O        4.31041000       2.64867000      21.77060000      -0.88492254       1.03298580       1.01514128
O        1.09367000       2.67728000      21.58352000       1.12173869       0.45171657       1.48635290
O       -0.30087000       4.93342000      21.88699000       0.90488051       2.40377703      -1.49839305
O        1.75663000       4.48709000       2.62908000      -0.58785064      -1.97298722       0.74732554
O       -1.48188000       4.42195000       2.44538000       0.67102376      -1.01554018       2.24072159
O        0.16168000       1.61434000       2.60563000       0.15284156       1.25667044       0.71629849
O        1.31480000       1.07451000       5.10914000       2.49181044      -1.88231279      -0.94138168
O        4.70945000       1.00625000       5.12529000      -0.99028003      -0.58381813      -0.69601854
O        3.07303000       3.78925000       5.13072000       0.55450688      -1.76364078       0.14261489
O        4.18341000       2.44942000      14.74158000      -0.16965385      -0.57733229       0.98081618
O        1.56554000       2.39347000      14.72323000       0.27005050      -0.57738069      -0.31031892
O        2.84614000       0.07858000      14.74297000       0.51620990      -1.57998554       0.24491990
O        1.17951000       4.44372000      24.26275000       0.35927433      -1.71830862      -0.20584683
O       -1.42707000       4.04100000      24.40070000      -0.40814242       2.14684398      -1.28913900
O       -0.05755000       1.89642000      24.21817000       1.55337967      -1.13517982      -0.72630783
O        5.68558000       0.15297000      21.61526000       0.26687369      -0.09409393       1.20323969
O        3.23110000       1.72159000       2.46882000      -2.03010255       0.47984793       0.98299482
O        0.19903000       3.17291000      12.12463000       0.55904587       0.59308026       0.43705904
O        0.08396000       0.21113000       7.36566000       0.61896036      -0.12825335      -0.08151546
O        2.62024000       1.67558000      16.92355000       1.55561711      -1.07365863       1.19022404
O        0.08466000       3.36958000      26.44776000      -0.42538698       0.29306128      -2.06531422
O        2.96398000       5.03742000       0.44995000       1.45364345       0.73285128      -0.68949772
O        3.25227000       1.49740000      10.02190000      -0.25994541       0.49420712      -0.76744402
O       -0.35405000       3.51627000      19.57362000       1.28131128       0.79672471      -0.31096219
O       -0.13227000       1.59665000      16.94134000      -0.34280923      -0.28424639       0.04314021
O        1.41294000       4.27584000      16.92308000       0.60935348       0.53546971       0.92083131
O       -1.74730000       4.27152000      16.93395000      -1.55915493       0.79041308       0.95961926
O        3.00448000       3.11744000      26.33021000      -0.44633135       1.96073266       2.11268314
O        1.43429000       1.07359000      26.59426000       1.00331364      -0.90384420      -1.28558706
O        4.30385000       0.85075000      26.57705000      -1.84015153       0.34594767      -1.12008939
O        0.08519000       5.08674000       7.40885000       1.14484281      -0.03508461       0.63878307
O       -1.23657000       2.82744000       7.35660000       0.62405420       0.24794357       0.00410605
O        1.43429000       2.78087000       7.25567000       1.99094595       0.11285042       1.02128557
Zn       5.83749000       0.04192000      27.16816000       0.67538748      -1.34386838       0.11590830
Zn       3.14229000       1.86473000       7.95562000      -0.52065220      -0.57495264       0.81289805
Zn      -0.21978000       3.63732000      17.66868000       1.30337733      -1.75844532       0.39261368
Zn       2.83312000       4.96842000      23.55333000       1.14383835       0.94060968       0.39094446
Zn       2.95124000       1.64925000       4.37014000       1.13419075       0.86980026       0.31955673
Zn      -0.06764000       3.15649000      14.12814000       0.25478852       0.80713580      -0.81282994
Zn       3.01550000       4.74881000      13.59189000      -0.45406858       0.13163956      -1.27078751
Zn       2.49316000       1.61531000      22.70811000       0.70732658       0.78285591       0.46616545
Zn      -0.10712000       3.50658000       3.92501000       0.41886692       0.08458352      -1.33820467
Zn      -2.62456000       4.85979000       9.50318000      -1.12309095       1.32806224      -0.78426652
Zn       2.76829000       1.76996000      18.97503000      -0.92576910       0.00355388      -0.36113925
Zn       0.11984000       3.55292000      28.23523000      -0.67183279      -1.20459903       2.44741238
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.43207407 magmom=71.9987956 free_energy=-551.43207407 stress="-0.03966613746258955 0.004654820294579099 0.010133260128270623 0.004654820294579099 -0.033338010501819455 0.003746658078809485 0.010133260128270623 0.003746658078809485 -0.039545594897248924" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.23680000       0.78159000      15.82198000       1.36357921      -0.65283628       1.08941319
Cr       4.21838000       0.81459000      16.02813000      -0.66250562       1.62768569      -1.32028994
Cr       2.80902000       3.46821000      15.91480000       1.01016428      -2.54183501      -0.36200909
Cr      -1.31584000       2.49775000      25.49689000      -2.78610770      -0.91123681      -2.52541359
Cr       1.58570000       2.53060000      25.34423000      -0.87808895       2.43918847      -2.81530100
Cr       2.80050000       0.06456000      25.48473000       0.83290551      -1.70166246      -4.01291494
Cr       1.65899000       4.50251000       6.16104000      -0.96564291      -1.71597882       1.66912813
Cr      -1.40558000       4.47724000       6.29081000       0.98756076      -0.01809640      -1.79971676
Cr       0.04985000       1.92701000       6.19605000       1.04298638       0.16955457      -0.18168431
Cr       5.71266000       0.06636000      18.33767000       1.59057674       0.54083320      -1.56806642
Cr       2.87945000       1.63200000      27.70701000       0.79063951       2.80508099       1.58195256
Cr       0.10148000       3.41113000       8.67341000       1.62153201      -0.26284285      -0.72544305
Cr       0.07847000       0.07313000       3.72752000       0.03873117       0.01156187       0.85459461
Cr       2.95627000       1.50991000      13.56934000       1.30813478       0.78674616      -1.33355014
Cr      -0.12127000       3.38037000      22.96939000      -0.17848307       0.67764000       1.19863152
Cr      -0.29058000       1.90299000      20.58927000       1.10741214      -2.14107341       0.95446833
Cr       1.28005000       4.41467000      20.68462000       0.85998514       0.25223116       0.14352181
Cr      -1.60560000       4.35846000      20.71561000      -2.32039912       0.95997116      -0.08322888
Cr       3.01915000       3.36016000       1.44765000      -0.14449739       0.97959936       0.46105188
Cr       1.51564000       0.95673000       1.33161000      -1.09353832      -1.27641715       3.91809763
Cr       4.63898000       0.89331000       1.43581000      -2.60308224       0.02654824       0.49502770
Cr       0.27188000       4.96031000      11.05983000       0.02950125      -1.56606649       2.52672294
Cr      -1.11882000       2.23523000      11.17741000       0.39894303       1.64710845      -0.02966677
Cr       1.77639000       2.32490000      11.06315000       0.97841708       0.63610149       0.15997856
O        1.11326000       0.90373000      19.62243000       0.52806919       0.09203934      -1.27763436
O        4.31134000       0.84276000      19.40935000       0.82737850       0.04847633       1.40319075
O        2.75816000       3.72238000      19.58117000       0.15583314      -0.91523159      -0.00193434
O       -1.46455000       2.54765000       0.29819000      -0.83744115      -1.44821090      -0.49606337
O        1.59820000       2.58175000       0.32130000       1.34761034      -0.70358036      -0.70003900
O        2.81163000       0.16434000       0.29834000       2.62739995      -0.96169763      -0.91788792
O        1.53272000       4.04808000       9.89642000       0.40539735      -0.92379964       0.20864618
O       -1.07588000       4.02542000       9.99686000      -0.90079787      -0.42037273       0.53344591
O        0.34492000       1.70857000       9.89826000      -0.70353818      -0.45489956      -0.26386039
O        1.87882000       0.68946000      12.17990000      -0.82416065       0.43124422       0.32348821
O        4.45708000       0.79237000      12.47082000       0.62739429      -1.11186330      -0.37833195
O        3.39539000       3.19189000      12.14800000      -1.95607771      -0.72599342       1.25167246
O        4.25205000       2.70007000      21.85265000       0.74397773       0.21222080      -0.67564061
O        1.24321000       2.72643000      21.59828000      -0.88357737      -0.07597456       1.19115170
O       -0.24888000       5.05310000      21.92249000       1.22057973      -1.41094494      -1.42255453
O        1.66575000       4.24205000       2.68926000      -0.49232683       1.18639163      -0.92616616
O       -1.68391000       4.32913000       2.53743000       2.77671510       0.42957402       0.53129098
O        0.11456000       1.70622000       2.57636000      -0.64265431      -0.48170928      -0.27661320
O        1.35164000       0.97031000       5.01014000      -0.56449959      -0.49550298       1.13821530
O        4.72935000       0.91488000       4.96532000      -1.10409861       0.99195545       0.89326490
O        3.08128000       3.69694000       5.06858000       0.02976419      -0.50242514       0.22828562
O        4.19948000       2.45072000      14.85503000       0.02527709      -0.08867337       0.07025525
O        1.63799000       2.29896000      14.82736000      -1.29917040       1.98316315      -1.75268838
O       -0.07420000       5.09545000      14.82902000      -0.57626644       0.21958897       0.12914989
O        1.19502000       4.28435000      24.32798000       0.93948891      -0.89183606      -1.01465305
O       -1.35656000       4.13468000      24.31428000      -1.29412089      -0.02932165      -0.13344286
O       -0.10563000       1.76509000      23.99821000       0.84927351       0.69941848       2.52668247
O       -0.08358000       0.22336000      21.71122000      -1.17262887      -0.80923499      -1.17969301
O        2.95744000       1.71170000       2.44089000       1.16340318      -0.70004284       0.30062481
O        0.43797000       3.12135000      12.22593000      -1.16374081       0.71650923      -0.69828331
O        0.22525000       0.21837000       7.33732000      -1.50646384       0.16038849       0.03184358
O        2.66766000       1.74308000      17.12434000       0.57120809      -0.44024379      -3.20603264
O        0.05438000       3.42119000      26.28078000       1.05635061      -0.06460776       2.32605414
O       -2.79203000       5.04502000       0.38211000      -1.43073961       0.74688581      -0.08814490
O        3.33409000       1.41654000      10.02731000      -0.44776155       1.95855235      -0.81425408
O       -0.18273000       3.53641000      19.55992000      -0.14787702       0.54459818       1.20094452
O       -0.16363000       1.53008000      16.88352000       0.06357565       1.02969058       1.77199027
O        1.51212000       4.32816000      16.99487000      -0.35498189      -0.13963959       1.19352024
O       -1.78149000       4.37316000      17.03346000       0.04026918      -0.27332982       0.72850484
O        3.04747000       3.22930000      26.50014000      -0.44201569       0.06929549      -0.27052362
O        1.48617000       1.03416000      26.41546000      -0.63582447      -0.93318899       1.71554240
O        4.11152000       0.83759000      26.55495000       3.21546672       0.07795532       0.06031745
O        0.14267000       4.97595000       7.38962000      -0.06711031       1.99804955       0.19694331
O       -1.27049000       2.89712000       7.32623000      -0.33934592      -1.73364877       0.77668948
O        1.45648000       2.88522000       7.39298000       0.53791564      -1.11248005      -1.21203921
Zn      -2.91194000       5.10523000      27.11161000      -1.03363137      -0.46471718      -0.28685214
Zn       3.05472000       1.94430000       8.07458000      -0.12054281      -1.15372301      -0.03664589
Zn      -0.07080000       3.66690000      17.73318000      -1.03579924      -1.14466133      -1.43188298
Zn       2.82171000       5.00184000      23.56691000       0.31534797      -0.53711781       0.77998865
Zn       2.96160000       1.57895000       4.44291000       1.38148801       1.65300528      -0.85297607
Zn      -0.05826000       3.27475000      14.09301000       0.11202237      -0.43397650       0.11185729
Zn       2.89321000       4.65413000      13.49154000       0.15686144       0.80960755      -0.93074377
Zn       2.49944000       1.58377000      22.69082000       0.67082046       2.09185936       1.33411786
Zn      -0.06786000       3.56928000       3.82009000       0.41743369      -0.25828290      -1.01859523
Zn      -2.73055000       4.82220000       9.45887000       0.40302173       1.45564340      -0.62646666
Zn       2.82925000       1.82315000      18.94004000      -1.76213960       0.83713918       1.22352659
Zn       0.17781000       3.46224000      28.22315000      -1.79873444       0.62587515       0.41413460
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.47864334 magmom=72.0013277 free_energy=-551.47864334 stress="-0.04621473165862839 0.005144320459428839 0.007462341432762968 0.005144320459428839 -0.029970258869477073 -0.004573551657707475 0.007462341432762968 -0.004573551657707475 -0.0377791540047418" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.17179000       0.89353000      15.93416000       2.12652906      -0.18381003      -0.69475338
Cr       4.22020000       0.84542000      16.05415000       2.02068038      -0.99890591      -0.36015812
Cr       2.82152000       3.51874000      15.84715000       0.10665277      -1.11470586       1.06189880
Cr      -1.40910000       2.49027000      25.43862000      -0.17444502       0.75625271      -0.53853328
Cr       1.61106000       2.56741000      25.27262000      -0.97657196      -2.04377502       1.69442466
Cr       2.83141000       0.04386000      25.31394000       2.16567124      -1.01596628      -0.64837056
Cr       1.57259000       4.44139000       6.15976000       0.21275115      -0.95729493       0.67025032
Cr      -1.42012000       4.41361000       6.17014000       0.88578668      -1.67101505       1.49333571
Cr      -0.00161000       1.91474000       6.21617000       1.66557069      -0.97929746      -0.89864658
Cr       5.81659000       0.06729000      18.40695000      -0.39456097       1.23454892       0.76176455
Cr       2.94862000       1.67668000      27.72993000       1.96248446      -1.03494295      -2.23738384
Cr       0.06165000       3.45077000       8.64210000       0.90320127      -0.98368209      -0.61050795
Cr       0.00295000       0.10547000       3.70577000       0.35365278      -1.58129565       1.47484995
Cr       3.00858000       1.55881000      13.62051000      -0.67312703      -0.20884001      -0.63007587
Cr      -0.18153000       3.26270000      22.99532000       0.85618733       2.93789593       1.03043945
Cr      -0.13064000       1.78097000      20.63039000      -0.76493964       2.62636185       1.17923835
Cr       1.29875000       4.42974000      20.69849000       2.06603888      -1.19884661       0.00497787
Cr      -1.63936000       4.41323000      20.74052000       1.47094125      -0.86312714      -0.27057483
Cr       3.02930000       3.35745000       1.44562000      -0.91802450       1.55203010       1.46045881
Cr       1.45005000       0.87921000       1.34072000       0.88880205      -0.92236891       1.99375054
Cr       4.44971000       0.87607000       1.37711000      -0.63039249      -0.93732698       0.76933381
Cr       0.32060000       4.85415000      11.09499000      -0.44113512       2.06132634       1.23970371
Cr      -1.12981000       2.28124000      11.34304000       1.03912769       1.52993180      -3.50444979
Cr       1.85837000       2.28128000      11.11107000      -1.69516418       0.53512710      -1.29986805
O        1.31286000       0.98976000      19.65339000      -0.93121223      -1.13212809      -1.27907382
O        4.36683000       0.88589000      19.53926000       0.59138031       0.45795196      -0.71819754
O        2.77812000       3.64402000      19.67043000       0.65547261       0.68873016      -1.16291630
O        4.33396000       2.59023000       0.29811000       0.45826978      -1.31954707      -0.63515742
O        1.70323000       2.44608000       0.20716000      -1.13441945       0.86378643       1.43817669
O        3.04582000       0.06005000       0.23665000      -0.83711215       1.26924029       0.47032811
O        1.50407000       3.86722000       9.84546000       1.35707888       1.03105880       0.85473676
O       -1.06881000       4.02515000      10.16410000      -1.47960047      -0.52237835      -1.40205940
O        0.29947000       1.65182000       9.86288000      -0.27774972       0.29873662       0.98427655
O        1.82264000       0.77823000      12.32335000       0.30286415      -0.97372374      -0.49956395
O        4.40116000       0.77905000      12.44442000       1.14617672      -1.50000237       0.52465470
O        3.29073000       3.13042000      12.25657000      -0.63983165      -0.69646483       0.90781053
O       -1.53715000       2.81706000      21.81649000      -1.16566653      -2.07278248      -0.57553130
O        1.20571000       2.78369000      21.84988000       0.77308965      -1.81000787      -1.17396231
O       -0.04662000       5.01723000      21.72805000      -2.70742515       1.79547769       3.31734431
O        1.57828000       4.22345000       2.57595000       0.73477641       1.19365281      -0.46233208
O       -1.50950000       4.33168000       2.73569000      -1.35673227       0.41264616      -2.22797961
O       -0.06034000       1.61127000       2.48313000       0.82978458       0.39861969       0.35124759
O        1.33502000       0.75777000       5.06063000       0.14386356       2.65191173      -1.25893712
O        4.63300000       0.91290000       4.99232000       0.97722313      -0.17452067       0.69554060
O        3.07916000       3.54464000       5.07025000      -0.75611560       0.86589170      -0.19861104
O        4.17251000       2.41398000      14.98280000       1.49338018       1.28791938      -2.24989706
O        1.51777000       2.46629000      14.66100000       0.56567533      -0.37561860       0.81084561
O       -0.13764000       5.10924000      14.94931000      -0.50199786       0.55891187      -0.64779306
O        1.31748000       3.96199000      24.18380000      -0.39232326       3.51270036      -1.35179608
O       -1.43834000       4.25050000      24.19005000       0.32115318      -1.16351375       0.98185824
O        0.02540000       1.79837000      24.24631000      -0.51722951      -0.65034798       0.02117669
O        5.73917000       0.13502000      21.60918000       0.11565025       0.42076233       2.27372978
O        2.85518000       1.62000000       2.41568000       1.43369304       0.75021978       0.54443527
O        0.46197000       3.21070000      12.13791000      -1.19532623       0.07826054       1.10529772
O        0.13254000       0.19796000       7.21868000      -0.56177524      -0.63235421       0.78711621
O        2.83686000       1.73088000      16.80253000      -2.68352500       1.11560242       3.03251732
O        0.12118000       3.42603000      26.31199000      -0.79974277      -0.16454382       0.13001080
O        0.05019000       0.08955000       0.36779000      -0.77763281      -1.41307362      -0.18683035
O        3.33958000       1.65390000      10.01412000       0.16115630      -1.43567565       1.68687695
O       -0.08549000       3.59633000      19.80103000      -1.60151120      -1.35606095      -3.38997118
O       -0.17936000       1.63497000      17.09783000       0.02286890       0.59494176       0.29850852
O        1.62099000       4.36775000      17.20035000      -0.65450744      -0.04350127      -1.41206294
O       -1.84622000       4.43750000      17.16984000       2.12159070      -0.85897834      -1.42424553
O        2.98211000       3.26767000      26.57972000       0.28151756      -1.79481227      -1.68267836
O        1.51667000       0.89943000      26.39427000       1.99103302       1.33035479       0.39035932
O        4.37888000       0.85020000      26.45257000      -1.50325787       0.48279244      -0.28774091
O        3.14767000       0.05011000       7.39827000      -1.20778021      -0.76869241       0.03976681
O       -1.27562000       2.74796000       7.37659000      -0.27399735       0.91351631       0.17978600
O        1.51744000       2.83074000       7.29425000      -1.67168842      -0.23715246      -0.03213269
Zn      -2.86072000       5.04349000      27.04220000      -1.00076439       0.54328958       0.77729330
Zn       2.95390000       1.96322000       8.19975000       0.47522934      -0.91420307      -1.21541458
Zn       0.03915000       3.62310000      17.73720000      -2.21072245      -1.12717224       0.92070785
Zn       2.82977000       5.02237000      23.61533000      -0.47186851       0.45282579      -0.45214354
Zn       3.02514000       1.59319000       4.48142000      -1.72664595       1.47458506      -0.84883340
Zn      -0.03796000       3.38429000      14.05667000      -0.81627112      -0.12457364       0.17462454
Zn       2.76845000       4.59754000      13.34703000       0.37403777       1.80052600       0.50324715
Zn       2.54826000       1.64850000      22.74085000       1.27399808       0.08224357       0.17471186
Zn       0.00034000       3.62236000       3.66682000       0.60363966      -0.77208267       0.41539165
Zn       3.06074000       4.87064000       9.37022000       0.80180498       0.93286991      -0.55588598
Zn       2.80976000       1.91693000      18.94098000       0.53001083      -0.56178276      -0.64808322
Zn       0.14794000       3.38521000      28.25378000      -0.73770284      -0.20260466       0.04634905
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.44315828 magmom=72.0014423 free_energy=-550.4431898 stress="-0.04244924209794087 -0.017730387762003225 -0.016252040400513628 -0.017730387762003225 -0.04499612100443902 -0.00033911359892937966 -0.016252040400513628 -0.00033911359892937966 -0.04654193042260626" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.21640000       0.98213000      16.04489000       0.48413707      -0.73495673      -1.40216753
Cr       4.30488000       0.86737000      16.08321000      -0.34813441       1.15212008      -0.55842199
Cr       2.85820000       3.49888000      15.84264000       0.99022103       0.66212272       0.57620680
Cr       4.37481000       2.50316000      25.36448000       2.73770710       0.71751081      -1.58645699
Cr       1.57789000       2.52908000      25.27680000      -1.70690927      -0.43350361      -0.31719877
Cr       0.03029000       5.09196000      25.13434000       0.65376483       0.49557282       1.99075881
Cr       1.48379000       4.33212000       6.20947000       0.07687371       1.27017338      -0.88361277
Cr      -1.39187000       4.28830000       6.11238000      -0.85962473       1.38601197       0.96811550
Cr       0.02713000       1.84402000       6.19493000      -0.59577052      -1.67701658      -0.74797497
Cr       0.01045000       0.15077000      18.53319000      -1.61897724      -0.70055808      -5.98877724
Cr       3.10570000       1.66409000      27.67653000      -1.77526853      -1.07817863      -1.16152838
Cr       0.08470000       3.43490000       8.59870000      -0.26852693      -0.09378965       2.50185196
Cr       5.85313000       0.06634000       3.76277000       0.61971034       0.04610489       0.12681148
Cr       3.02372000       1.57401000      13.63081000      -0.60122137      -1.84985931       1.19800191
Cr      -0.20124000       3.29892000      23.05717000       0.48490329       0.39794447      -1.86311506
Cr      -0.01254000       1.75546000      20.69020000      -1.89355397       2.15942669       0.40190911
Cr       1.38774000       4.40167000      20.69608000      -2.51737078      -0.80941029       1.14642016
Cr      -1.62531000       4.42569000      20.71951000       2.65263091      -2.04174362       1.55760476
Cr       2.99024000       3.41890000       1.48586000      -0.51438409      -0.68804840      -1.59595950
Cr       1.44385000       0.77626000       1.43225000      -0.15867035       2.07297778      -1.55655280
Cr       4.25075000       0.84158000       1.34626000       4.90120150       0.15058816       1.55528860
Cr       0.32590000       4.86435000      11.20585000      -1.57826057       2.06824143      -1.35365097
Cr      -1.10458000       2.40145000      11.31737000      -2.42636963      -1.23999562      -1.31328032
Cr       1.82810000       2.26228000      11.11247000      -2.39945393       0.69630134       1.06760120
O        1.36884000       0.89687000      19.51124000       0.60147910       0.54417629       1.83156523
O        4.51375000       0.95116000      19.62408000      -1.22417365      -0.82600357      -0.63842453
O        2.89753000       3.69116000      19.60100000      -0.85386791       0.12033406       0.55638006
O        4.30657000       2.44023000       0.25376000       0.96968084       1.70758732       0.77229851
O        1.70564000       2.40840000       0.33126000      -0.33500884       0.22350958      -0.58483549
O        3.07190000       0.07176000       0.19617000      -2.71374254      -0.64669208      -0.47905672
O        1.62732000       3.85129000       9.93242000      -0.84253665       0.77325043      -0.59811396
O       -1.23285000       3.95100000      10.08437000       1.04670600       1.07713402      -0.78095505
O        0.21032000       1.69627000      10.00681000       0.47549384      -0.01247868      -1.01299909
O        1.87231000       0.75181000      12.32304000      -0.52733418      -1.39372222      -0.62666117
O        4.48392000       0.60549000      12.43471000      -0.68647187       2.45678038      -0.72410185
O        3.08831000       2.91987000      12.44074000       1.60108116       2.90407153      -2.37374433
O       -1.49992000       2.65768000      21.70931000      -0.46611000       0.13421515       0.97918999
O        1.18319000       2.58997000      21.89110000       1.00706235       1.05477124      -0.74479308
O       -0.17888000       5.08809000      21.93836000       0.30269109      -1.32211926      -0.94375378
O        1.63697000       4.42664000       2.42436000      -1.48267369      -1.93332859       2.53844164
O       -1.58132000       4.40513000       2.55629000       0.27375568      -1.61454972       1.38570299
O       -0.09069000       1.48062000       2.45448000       0.63627555       1.78466536       0.97216935
O        1.30000000       0.88075000       4.99445000       0.76390757      -0.35207243       0.24201613
O        4.68057000       0.87309000       5.14965000      -1.99924205      -0.09601711      -1.41632586
O        2.96517000       3.59592000       5.07431000       0.10630525      -0.30843693      -0.38922864
O        4.32347000       2.53728000      14.78814000      -0.65360703      -0.70835989       0.85367048
O        1.54223000       2.55372000      14.65658000       0.20697580      -0.33069387       0.73493217
O        2.70244000       0.18597000      14.95914000       1.19175521      -0.93518642      -0.06125001
O        1.32773000       4.07760000      23.94878000      -0.97085098      -0.34334188       2.40117016
O       -1.43690000       4.15345000      24.26845000      -0.70230213       0.39068120       0.01366723
O        0.04039000       1.81964000      24.46701000      -0.81645897      -1.25431889      -3.12890772
O        5.71322000       0.10660000      21.77713000       1.00524350       0.06225259      -1.06299852
O        2.97933000       1.67028000       2.44983000      -1.38118315       0.48596434       1.41584479
O        0.26787000       3.29461000      12.18005000       1.36708915      -1.02012824       0.93217231
O        5.85243000       0.06640000       7.18360000       1.45457135      -0.04831732       1.22139704
O        2.68797000       1.84443000      16.87665000       1.39639901      -0.05505665       1.87561906
O        0.06207000       3.40572000      26.34016000      -0.08041378       0.33582370      -0.45440743
O        5.75241000       0.00811000       0.38181000       1.88686860      -0.68325590      -1.12191108
O        3.35394000       1.62685000      10.26011000      -0.09384340      -1.79575122      -2.44286249
O       -0.19438000       3.48859000      19.61627000       1.16863216       0.62265641       2.01144987
O       -0.18196000       1.75091000      17.30475000       0.19066820      -2.26804708      -1.55451746
O        1.67965000       4.40708000      17.15120000      -0.86778597      -0.04750744       0.24911924
O       -1.64833000       4.38017000      17.07589000      -0.90502063       0.87297194       0.28965319
O        2.95515000       3.07713000      26.35630000       0.42346539       3.61854236       2.31042261
O        1.83511000       0.94596000      26.42244000      -1.87035359      -1.36847809      -0.44441642
O        4.45188000       0.91142000      26.29224000      -0.86203802      -1.81175815       1.14537593
O        2.98565000       0.04359000       7.36754000      -0.32784909      -0.99874719       0.16972824
O       -1.26407000       2.74555000       7.40394000      -1.08433290       0.00458764      -0.44678619
O        1.29270000       2.73469000       7.19792000       2.22439631      -0.26827641       2.39397447
Zn      -2.85859000       5.01247000      27.00514000       0.32663732       0.38598645       0.24073190
Zn       2.88067000       1.93130000       8.27506000       0.81628928      -0.59691361      -0.37524813
Zn       0.03836000       3.53530000      17.76925000      -0.40430146       1.19658815      -0.94684445
Zn       2.83145000       5.06554000      23.65023000       1.31593618       1.25687115       0.55960076
Zn       3.02496000       1.68129000       4.47772000      -0.23975812       0.35153366      -0.40978687
Zn      -0.06065000       3.48478000      14.03835000      -0.27873093       0.40003100       1.38700935
Zn       2.67821000       4.62380000      13.24677000       2.19664161      -0.23494520       1.98523101
Zn       2.66266000       1.72622000      22.81765000       1.19931140       0.08137247       0.30553748
Zn       0.09337000       3.63828000       3.53431000      -0.26324152      -0.70494629      -0.11032148
Zn       2.99921000       4.97106000       9.25756000       0.98308399       0.55831996       0.08099647
Zn       2.80480000       1.98275000      18.90621000       1.12434246      -1.16564828      -0.80810682
Zn       0.07068000       3.31129000      28.28699000       0.33183426      -0.18761580       0.06441799
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.82489982 magmom=71.996546 free_energy=-551.82489982 stress="-0.02776116145534009 -0.003305082599043253 7.793489705127022e-05 -0.003305082599043253 -0.04514966805836941 0.002521654377894165 7.793489705127022e-05 0.002521654377894165 -0.04692171018727176" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31382000       1.00894000      16.10342000       1.63924156      -0.01683386      -2.57120708
Cr       4.37794000       0.93365000      16.08977000      -2.01512761      -0.03654838      -1.93535347
Cr       2.94424000       3.51666000      15.88834000      -0.15822684       0.42596273       0.23322214
Cr       4.37811000       2.52035000      25.29726000       0.27885455      -0.45137194       0.10094937
Cr       1.46826000       2.45477000      25.30260000       0.29878688       0.67265435      -0.38865651
Cr       0.16662000       5.08048000      25.12622000      -4.38152128       1.07648639       2.11881747
Cr       1.41073000       4.28528000       6.23126000       0.13897112      -0.27126508       0.41802654
Cr      -1.41551000       4.23401000       6.12731000      -1.27803919       0.73754351       0.00886759
Cr       0.03663000       1.70207000       6.15619000      -0.94444022       0.86631963       1.74613716
Cr       0.03292000       0.21470000      18.48010000      -0.97085198      -2.58394143      -1.26286628
Cr       3.20496000       1.58108000      27.60522000      -3.51725179       0.94740107       0.49927448
Cr       0.08498000       3.40620000       8.68161000      -0.21927371      -0.64836472      -0.29514189
Cr       5.84756000       0.03752000       3.82473000       0.63092979       0.84985885      -0.64857929
Cr       2.99480000       1.52680000      13.64567000       0.11156342       1.84958156      -2.33288663
Cr      -0.19110000       3.36564000      23.00922000       0.72461154      -1.56098763      -0.53417327
Cr      -0.03078000       1.79733000      20.69882000      -0.65507710      -1.52944263       0.53881868
Cr       1.36754000       4.34405000      20.72570000       0.56697190       0.81904172       1.20280375
Cr      -1.51175000       4.33637000      20.71877000      -1.62638505      -0.35002004       0.90644995
Cr       2.90910000       3.42964000       1.44218000      -0.01188349      -1.40580952       0.38402222
Cr       1.42847000       0.79312000       1.44649000      -0.56098983       0.78559622       0.14230566
Cr       4.28696000       0.82932000       1.35090000       1.87615507      -0.23733940       2.06855618
Cr       0.24968000       4.95990000      11.24085000       0.72007556      -2.55116234      -2.03494240
Cr      -1.20759000       2.45990000      11.18586000      -1.16685642      -0.50597506      -0.44345189
Cr       1.68119000       2.27935000      11.15408000       0.76715006       0.60130583      -0.04065441
O        1.48044000       0.87731000      19.65362000      -1.37352038       0.20304418      -0.38841607
O        4.43418000       0.89194000      19.58213000       0.50500892       0.08180450      -0.15486999
O        2.86944000       3.75589000      19.62133000       0.08263908      -0.54315286      -0.53272383
O        4.37088000       2.50881000       0.34250000      -1.80782002      -1.33693351      -0.31986806
O        1.62494000       2.42935000       0.37630000       0.30450337      -0.22012205      -1.51363599
O        2.69025000       0.04115000       0.14899000       2.49699292       0.55661546       0.52144559
O        1.56478000       3.96500000       9.96561000       0.02170049       0.10097411       0.00595516
O       -1.18219000       4.03117000       9.90596000      -0.80836210       0.81076021       1.53761921
O        0.20283000       1.77726000      10.01951000      -0.19266519      -0.75380982      -1.18621407
O        1.85820000       0.58347000      12.24689000      -1.85690268       1.41888508       1.77072959
O        4.45375000       0.84347000      12.33473000       0.59545379      -0.72548671       1.33323039
O        3.15372000       3.03110000      12.27011000      -0.63840613       0.29981053       0.57531937
O        4.40484000       2.55414000      21.78233000      -0.37080319       0.59512019       0.25677458
O        1.30445000       2.62776000      21.77650000       0.22715066       0.86846742       1.02364449
O       -0.26210000       4.91894000      22.00363000       1.87539001       1.91505437      -0.84854700
O        1.55272000       4.38722000       2.61044000       1.00861558       0.59167431      -1.67384014
O       -1.69388000       4.28900000       2.55912000       1.11479298       0.46646508       0.90083620
O        0.01454000       1.57247000       2.58021000      -0.93669550       0.07768400      -0.58681366
O        1.33192000       0.93194000       4.97571000       0.04548685      -1.43320275       0.36862644
O        4.49525000       0.79578000       5.09432000       0.62985211       0.04658025       0.17358888
O        2.87981000       3.65437000       5.04980000       0.32284378      -0.85736944       0.20502310
O        4.30386000       2.51391000      14.76310000       0.05020644      -0.15206972       1.15586326
O        1.67358000       2.51869000      14.83159000      -1.51990403       0.26393429      -0.81987931
O        2.81261000       0.23446000      14.98465000       0.55793395      -1.35196835       0.65051184
O        1.22946000       4.10335000      24.09887000       3.15685665      -1.67517418      -1.26328285
O       -1.45375000       4.12069000      24.32815000      -0.13217238       1.08785664      -1.43637555
O       -0.07044000       1.74970000      24.17474000       0.35608681       2.13644734       1.22551927
O       -0.02974000       0.09533000      21.72066000      -0.66630113      -0.32888316       0.12248231
O        2.93149000       1.76828000       2.54797000      -0.05722028      -1.10481731      -1.71343614
O        0.27215000       3.21078000      12.27015000       0.05395807       0.28233822      -0.61932870
O        2.94897000       5.04141000       7.27027000       0.06023444       0.78432211      -1.17967437
O        2.69832000       1.94910000      17.12282000       1.10093010      -0.70979057      -3.35985398
O       -0.00976000       3.41049000      26.21583000       0.44337275      -0.81480429       1.46464852
O        2.91504000       4.95441000       0.28672000      -0.66870534       2.03340591       0.79148778
O        3.28831000       1.36986000      10.13986000      -0.74243636       2.33007749      -1.03712686
O       -0.08921000       3.47856000      19.73981000       0.54716446       0.13450789      -1.72505063
O       -0.15553000       1.55457000      17.18003000       0.86100067       3.17998067       0.52894210
O        1.61232000       4.43277000      17.06155000      -0.22404917      -0.58782898       1.08126906
O       -1.63219000       4.45778000      16.99863000       0.11952679      -0.73621883       1.90089060
O        2.95533000       3.34851000      26.37933000      -0.17216720      -4.04003983      -0.68242193
O        1.84840000       0.84693000      26.33123000      -1.35143991       0.60292265       0.64112324
O        4.35072000       0.74874000      26.27982000       1.85657861       1.45216920       0.97116937
O       -0.14030000       4.90337000       7.34669000       1.87228643       1.18679469       0.68934411
O       -1.35643000       2.75966000       7.33786000       0.15157320      -1.94343959       0.44249761
O        1.34655000       2.61247000       7.42286000       0.08095251       0.09107699      -1.26111075
Zn      -2.83994000       5.01353000      26.98852000       0.84249230       2.23925130       0.62787100
Zn       2.85556000       1.86828000       8.31657000       1.03400745      -0.63212661      -0.85215469
Zn       0.00286000       3.49616000      17.76521000      -0.20981371       0.49645060      -0.32313480
Zn       5.83269000       0.03717000      23.69664000       0.18360724      -2.39556996      -1.25320725
Zn       3.00294000       1.78766000       4.45882000      -0.33916747       0.34124291       0.16583740
Zn      -0.10116000       3.59617000      14.08971000       0.34850193      -0.71590658       0.89066791
Zn       2.68954000       4.66367000      13.24952000       0.85728581       0.88019108       0.24751843
Zn       2.82815000       1.79498000      22.90613000       0.09724706      -0.33012329      -0.57153691
Zn       0.15928000       3.60737000       3.43317000      -2.60298606      -1.85338905       1.44447188
Zn      -2.90787000       5.08876000       9.15935000       0.49435551      -0.37827477       1.33766008
Zn       2.86471000       1.98381000      18.86403000       0.87932903      -0.42869948       3.23585054
Zn       0.02461000       3.23962000      28.31568000       1.18823255       1.01060218      -0.86625384
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.63221308 magmom=72.0007038 free_energy=-552.63221308 stress="-0.033587411251282694 0.009806459572574984 0.01144718718392124 0.009806459572574984 -0.04585870730863183 0.0009377652067159662 0.01144718718392124 0.0009377652067159662 -0.04189640430309293" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48114000       0.99729000      16.06706000      -0.83572364      -0.50821682      -0.96869036
Cr       4.37555000       0.97931000      16.03539000       2.49773389      -1.64410920       0.76916984
Cr       3.00687000       3.57879000      15.94594000      -1.88116902       0.02982628      -0.72439752
Cr       4.38650000       2.50880000      25.29270000       0.33517220       0.23174848      -1.08076723
Cr       1.38606000       2.41243000      25.31724000       1.25957086       0.73965074      -1.18254931
Cr       3.04734000       0.00885000      25.26083000      -0.19676023      -2.18837013      -1.34470192
Cr       1.35215000       4.23096000       6.26647000       1.29330882      -0.81447474      -1.12488158
Cr      -1.49109000       4.21036000       6.17897000       1.31017811      -1.39411334       0.30753729
Cr      -0.00967000       1.60869000       6.21088000      -0.27907024       1.60826596       0.09612212
Cr      -0.00042000       0.17426000      18.38284000      -0.89804583      -0.62322217       0.20291582
Cr       3.12808000       1.55010000      27.58494000      -2.81808987       0.48719979       1.26882952
Cr       0.06438000       3.34831000       8.75091000      -0.01975619       0.26176241      -2.28137791
Cr      -0.02014000       0.05322000       3.84214000      -0.27933792      -0.42097707      -0.16239727
Cr       2.96470000       1.57004000      13.56130000      -0.08614205       1.60580967       0.86882049
Cr      -0.11687000       3.37585000      22.91591000       2.13931843       1.94992723       1.18572860
Cr      -0.09585000       1.72062000      20.66180000       1.23464862       1.09349691       0.94393036
Cr       1.39560000       4.34863000      20.79533000       1.27826840       0.62289616      -1.96150625
Cr      -1.49157000       4.24828000      20.72526000      -0.54710430       1.42915616      -0.86572873
Cr       2.83396000       3.36265000       1.39732000       1.42657259       0.83307113       0.70461955
Cr       1.38528000       0.87576000       1.44502000       0.58534982      -1.55422922      -0.28590096
Cr       4.41796000       0.82932000       1.40288000      -1.24570149       0.16842412       0.76383250
Cr       0.18108000       4.96195000      11.17130000      -0.35751104       0.21554787       0.87270280
Cr      -1.38640000       2.47602000      11.02571000       0.87065077      -0.06654147       1.16048847
Cr       1.57015000       2.32608000      11.19015000       0.99338064       0.06630982      -1.16483851
O        1.42147000       0.92006000      19.77571000      -0.39788612      -0.56669614      -2.19837745
O        4.42764000       0.82891000      19.52023000       0.71852935       0.68752932       0.17654536
O        2.82711000       3.71064000      19.57964000       1.12442282       0.18289397      -0.43438641
O        4.17873000       2.41293000       0.35904000       1.81288162       0.78272938      -1.64164092
O        1.62753000       2.38463000       0.16546000      -0.01195735       0.17538155       0.07504697
O        2.74302000       0.11886000       0.20758000       1.78382675      -1.58760499       0.48226719
O        1.44574000       4.08050000       9.98714000       1.04861772      -0.33584645      -0.54189301
O       -1.19248000       4.20940000       9.98318000      -0.99330291      -0.92373622      -0.25573807
O        0.16430000       1.78492000       9.87414000      -0.66093040      -0.14184286       1.19837183
O        1.66110000       0.67398000      12.38662000       0.68373281       0.42555080      -0.48019401
O        4.42302000       0.99589000      12.39105000      -0.13960030      -1.73690154      -0.55095339
O        3.11335000       3.19391000      12.12726000      -1.14656884      -0.81905893       1.21867992
O       -1.48188000       2.60946000      21.87088000      -0.29021208      -0.31934212      -1.33846817
O        1.40014000       2.81909000      21.85369000      -0.38749566      -2.79687428       0.37855405
O       -0.04157000       4.97424000      21.85794000      -0.83468502       1.36098143       0.72051924
O        1.64893000       4.41249000       2.55997000      -1.22943093      -1.08476608       0.13556379
O       -1.66877000       4.24177000       2.72456000       0.27099535       0.51420018      -1.50271815
O       -0.02667000       1.62278000       2.59853000      -0.22001610       0.01320456      -0.34570473
O        1.32714000       0.71172000       5.07277000       0.93143163       1.07797337      -0.20011103
O        4.43579000       0.70270000       5.06822000       0.18600107       0.93396354       0.11060109
O        2.86077000       3.62674000       5.07573000       0.00571352      -0.05029061       0.03276728
O        4.22934000       2.45731000      14.91965000       1.27809471       1.98935627      -2.60725904
O        1.58927000       2.50951000      14.86364000       0.04397488       0.54083491      -1.20844172
O        3.01137000       0.13940000      15.06797000      -1.58029309       0.75022494      -1.61587856
O        1.49663000       3.92613000      24.17990000      -1.31504652       2.23142476       0.04666582
O       -1.40845000       4.20421000      24.17198000       0.84064541      -0.29766881       1.13715828
O       -0.11311000       1.94638000      24.07994000       0.46835155      -3.00855051       1.45439223
O        0.00932000       0.04733000      21.61100000      -0.49205841       0.28893903       2.51532058
O        2.85735000       1.66317000       2.34677000       0.67008453       0.28703404       2.13472146
O        0.25773000       3.20652000      12.19209000      -1.94374488       1.27437723       0.76836357
O       -2.88691000       5.04675000       7.16516000      -1.19609943      -0.05645566       1.83466178
O        2.96049000       1.89647000      16.87966000      -0.45410853      -0.03764425       3.19643446
O       -0.01076000       3.30107000      26.27790000      -0.42983817       0.82256749       1.06055985
O        5.89182000       0.00102000       0.38740000      -0.54681812      -0.39046879      -0.73896000
O        3.09656000       1.44264000      10.02724000       0.09984579       0.98119651       2.35454136
O        0.06452000       3.47689000      19.70094000      -1.59674762      -0.64053855      -0.47392509
O       -0.03012000       1.77615000      17.05827000       0.17257470      -1.90233484       0.22634237
O        1.57044000       4.41626000      17.10725000       1.07359140       0.70060232       0.05485760
O       -1.66099000       4.45710000      17.20138000       0.67902380       0.30758696      -0.59283930
O        2.92787000       3.05084000      26.36026000       0.01595028       1.48354940       0.96538746
O        1.61192000       0.82293000      26.30334000       1.78364385      -0.24212754       0.54771965
O        4.47388000       0.77010000      26.39029000      -1.16077004       0.97457150      -0.61691505
O       -0.01775000       4.78147000       7.40566000      -0.98576768       1.60632882       0.71086846
O       -1.38816000       2.50635000       7.30120000       0.19343534       0.50825008       0.88365680
O        1.37416000       2.56694000       7.42351000      -0.68666779      -0.00720902      -0.48980300
Zn      -2.78440000       5.08816000      27.00289000      -0.68783974      -1.91974548       1.25061622
Zn       2.88493000       1.77656000       8.28559000       0.45479854      -0.35312795      -2.90829249
Zn      -0.04158000       3.49113000      17.73884000       0.37749699       1.26537353       0.67878070
Zn      -0.01024000       0.03577000      23.69284000      -0.60144445       0.09661064      -1.22350312
Zn       2.96508000       1.89920000       4.43897000      -0.17753678      -1.79944170      -0.56518478
Zn      -0.12045000       3.65987000      14.18856000       0.30856174      -2.84813464      -0.66483049
Zn       2.76075000       4.74466000      13.29019000       0.74392500       1.34019265       0.37795035
Zn       2.99676000       1.84413000      22.98005000      -0.96282287      -0.57868893      -0.61092140
Zn       0.10339000       3.49101000       3.40488000      -0.81601051      -0.11029645       0.83428815
Zn       0.06471000       0.07193000       9.12044000      -0.00620482      -1.49457795       0.43597119
Zn       2.96433000       1.95157000      18.94444000      -0.57005506      -0.88959965      -0.02830272
Zn       0.02265000       3.21790000      28.30494000      -1.02793226       1.20730322      -0.15989277
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.49516785 magmom=72.0023329 free_energy=-553.49516785 stress="-0.04387997230598461 0.0010010399909587797 0.00600636038815428 0.0010010399909587797 -0.030163734910742247 -0.013414734219045224 0.00600636038815428 -0.013414734219045224 -0.040846180177890164" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59448000       0.96933000      16.00140000      -0.64212830       0.59705464      -0.06328197
Cr       4.50419000       0.94318000      16.00812000       0.08586183       1.40877844      -2.00832470
Cr       2.97251000       3.63681000      15.97323000       0.50231309      -2.31100128      -1.55461251
Cr       4.38380000       2.49354000      25.29982000       0.28365609       0.77708965      -0.46702563
Cr       1.39662000       2.42422000      25.28978000       1.16844213       0.93229673       0.26735950
Cr      -0.00076000       5.07096000      25.37691000       3.62862976      -1.55385782      -1.88005367
Cr       1.34833000       4.15152000       6.25067000       0.18116390       1.70730608      -0.62499685
Cr      -1.50527000       4.12278000       6.26576000       0.61543337       0.54343968       0.66347328
Cr      -0.07345000       1.60348000       6.27777000       0.71851699      -0.68445771      -1.81248612
Cr      -0.05770000       0.12618000      18.32112000       2.00364902       1.06316568       0.13783453
Cr       2.92693000       1.51608000      27.60534000       2.60843323      -0.03509902       1.10158360
Cr       0.04999000       3.30819000       8.69899000      -0.54474556       1.13506925       0.72403840
Cr       0.00483000       0.04525000       3.84170000      -0.48348109      -0.56042919       0.20763481
Cr       2.93960000       1.71091000      13.50558000       0.85303254       0.49385346       1.06784404
Cr       0.06247000       3.45417000      22.91277000      -0.59327573       0.42297298       1.44500458
Cr      -0.07605000       1.65808000      20.63020000       1.87027949       2.76693238       2.19571529
Cr       1.49910000       4.37001000      20.76821000      -1.27880513      -1.81588068      -1.16659055
Cr      -1.52898000       4.27006000      20.66528000       1.42270111       1.82290651       0.13709876
Cr       2.85474000       3.32435000       1.38103000       1.58129915       1.01691424      -0.57054982
Cr       1.38851000       0.87336000       1.42382000       1.75731141      -1.39678477      -0.21759791
Cr       4.44587000       0.85101000       1.45781000      -2.00047679       0.03632137      -0.96591185
Cr       0.09800000       4.96730000      11.13684000      -0.57229882       1.73186314       1.11801756
Cr       4.38239000       2.49913000      10.96636000       1.18010035       0.73863697       4.19520002
Cr       1.48219000       2.40050000      11.18813000      -2.47015387       1.67932609       0.48359149
O        1.28396000       0.85407000      19.53566000       1.21112546      -0.00331422       0.17117187
O        4.53801000       0.85465000      19.52255000      -0.89848170      -0.75386646       0.27096414
O        2.94933000       3.70896000      19.49091000      -0.77061022      -0.63991743       0.92918555
O        4.23069000       2.43463000       0.14491000      -0.35549361      -0.03048873       1.61799873
O        1.63807000       2.34879000       0.05580000      -1.04986555       0.44210945       2.48037688
O        0.17373000       5.10128000       0.34817000      -2.02885284       0.44379410      -0.55869540
O        1.42875000       4.11587000       9.91317000      -0.26282345      -0.36534856      -0.35676159
O       -1.35300000       4.19761000      10.04123000       0.10199079      -0.29551656      -1.98678654
O        0.00160000       1.81864000       9.92883000       0.15396163      -0.51060102      -0.20139462
O        1.59789000       0.91381000      12.43801000      -0.59689956      -1.63505672      -0.88683287
O        4.31063000       0.82818000      12.36278000       0.31525499       0.08086235      -0.58839499
O        2.88405000       3.16380000      12.20317000       1.13639968       1.15463722       0.72645163
O       -1.40078000       2.68622000      21.73746000       0.11229525      -0.36507436       1.15698346
O        1.37731000       2.62625000      21.90876000       0.80021390      -0.04766359      -1.63797473
O        3.03862000       0.10896000      21.77230000      -0.81457533      -1.55814587       0.73718311
O        1.64328000       4.31321000       2.50927000      -0.89863947      -0.39382742       1.49093970
O       -1.64373000       4.34521000       2.61609000       0.03705613      -0.50608049      -0.50322966
O       -0.07957000       1.59237000       2.54854000       1.18317437       0.51749431       0.88085371
O        1.40935000       0.62825000       5.15529000      -0.24775399       1.20823838      -0.46476994
O        4.49049000       0.73193000       5.10598000      -0.44636035       0.27557999      -0.40258404
O        2.86781000       3.62936000       5.12804000       0.27175704      -0.66498159      -0.49766511
O        4.29977000       2.65447000      14.74894000      -1.51590254      -1.16524430       1.14063078
O        1.55330000       2.54836000      14.72867000       0.87053199       0.45478873       1.00683862
O        2.98849000       0.27107000      14.89712000       0.72262734      -0.46763340      -0.19860471
O        1.49655000       4.07564000      24.28341000      -1.38889055       0.43754053      -0.19377085
O       -1.19460000       4.20553000      24.19417000      -2.13091807       0.01084204       0.03775272
O       -0.05961000       1.81900000      24.21487000       0.04672616       0.44035855      -0.98847839
O        5.85690000       0.04704000      21.81266000       0.64824697      -0.12061864      -2.24048988
O        2.89213000       1.61897000       2.42637000      -0.00297590       1.07204800       0.71012714
O       -0.05434000       3.39435000      12.14939000       0.29503978      -1.28660904       0.37836708
O        2.89517000       5.03462000       7.25578000       0.08716062      -0.72796008      -0.21439356
O        3.12779000       1.83639000      17.03859000      -1.03282813       0.35547065      -0.09412924
O       -0.05396000       3.30568000      26.40298000       0.23365357       0.52820766      -1.34199181
O       -0.05659000       0.09972000       0.41320000       0.87723148      -1.67944921      -1.04750338
O        2.90473000       1.66555000      10.24610000       0.08459927      -1.82381965      -4.09187958
O       -0.04983000       3.37764000      19.63968000       0.43380116       0.76376199       0.70163211
O        0.13723000       1.73624000      16.96808000      -1.01482786      -0.30472185       1.15295616
O        1.68915000       4.48410000      17.12788000      -2.12381048      -0.83969975      -0.75351305
O       -1.61014000       4.46285000      17.25052000      -0.06131279       0.50517046      -2.02363666
O        2.87701000       2.98419000      26.40157000       0.28843854       2.66836250       0.17069883
O        1.66484000       0.80365000      26.35529000      -1.67710985       0.05918731       0.62720376
O        4.44860000       0.95277000      26.39523000      -0.82530723      -1.77703603       0.48949499
O        0.00660000       4.89134000       7.52163000      -0.87490979      -0.51910651      -1.12519876
O       -1.35301000       2.37843000       7.41029000      -0.51364161       2.15009163       0.47790596
O        1.23197000       2.55204000       7.29741000       1.59058915      -0.54204687       1.32023885
Zn      -2.77056000       5.08630000      27.07943000      -2.00166234      -1.18470017       0.20530402
Zn       2.93968000       1.66095000       8.12876000      -0.78721038      -0.30501522       0.63946907
Zn      -0.06446000       3.54273000      17.73423000       1.11889591      -0.50005516      -0.18172117
Zn       0.02734000       0.01719000      23.63622000       0.49627941      -0.68844623       1.16534206
Zn       2.91611000       1.92030000       4.39048000       0.04816179      -2.11785924       0.00290581
Zn      -0.11823000       3.58512000      14.25146000       1.61704254      -0.30251894      -1.36478356
Zn       2.87064000       4.89616000      13.35326000       0.15507429       0.82765828      -0.35565857
Zn       3.11938000       1.86200000      23.03446000      -0.79991834      -0.58360233      -1.10455591
Zn      -0.01662000       3.35675000       3.43454000      -0.04434676       0.85922839       0.49094044
Zn       0.08713000       0.08913000       9.12102000      -0.26335502      -1.15906612       1.71354590
Zn       3.03443000       1.87112000      19.03876000      -1.43587752      -0.52398679      -0.45495431
Zn      -0.02255000       3.26091000      28.28922000       0.05237387       0.61722917       0.55392552
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.53993165 magmom=72.0011439 free_energy=-553.53993203 stress="-0.02884962451076106 -0.011248544190465821 -0.014036028293042487 -0.011248544190465821 -0.03609411583544685 -0.0018726508744721785 -0.014036028293042487 -0.0018726508744721785 -0.03658439376099028" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.65072000       0.97797000      15.94567000       0.20377493       1.26896432      -0.78373135
Cr       4.65897000       0.96003000      15.92521000      -3.71802814       0.77093589      -2.00177547
Cr       2.95151000       3.58535000      15.94595000      -0.17907540      -1.21365549      -0.50105569
Cr       4.38118000       2.50266000      25.30650000      -0.11450322       0.68717131      -0.19139553
Cr       1.49381000       2.48816000      25.29748000       0.02421443       0.43730554       0.36755783
Cr       0.06112000       4.99762000      25.45298000      -2.53969960       2.39895123      -1.36903354
Cr       1.36309000       4.14756000       6.19703000      -0.25523109       0.09132337       0.18478528
Cr      -1.48611000       4.07504000       6.36990000      -1.77467044       2.08896686      -2.33520274
Cr      -0.09460000       1.59161000       6.26521000       1.17184643       0.42030475       0.57420617
Cr      -0.03343000       0.13748000      18.25922000       0.20599628      -1.75112094       0.06845637
Cr       2.86122000       1.47174000      27.67656000       0.88912923       2.72718374       0.67725942
Cr       0.01500000       3.33192000       8.67509000      -0.25018835      -0.39040327       1.25584330
Cr      -2.94802000       5.11022000       3.84794000      -0.18258231      -0.50522083       0.02777004
Cr       2.94852000       1.85206000      13.50273000      -0.44285359      -2.55451067      -0.69474636
Cr       0.19702000       3.54576000      22.97740000      -2.88444073      -2.00693040      -1.31688199
Cr       0.04332000       1.72903000      20.66828000      -0.87732046       0.18573940      -0.15712988
Cr       1.53167000       4.29456000      20.65924000      -1.71827656      -1.11219974       0.56727770
Cr      -1.48962000       4.38494000      20.60837000       1.57620855      -0.95057740       1.53463346
Cr       2.95377000       3.34987000       1.35189000      -1.61111810       1.18093847       1.94938802
Cr       1.49358000       0.78754000       1.37522000      -0.53413085       0.20801135       1.94187149
Cr       4.36982000       0.87405000       1.45799000       2.65189878      -1.40599916       1.73328159
Cr      -0.02366000       5.05609000      11.15354000      -1.91805403       0.38534534      -2.29436719
Cr       4.29443000       2.55080000      11.11243000      -1.53585792      -1.01083824      -1.22939483
Cr       1.30687000       2.54533000      11.19172000       0.79076736      -0.28486868      -1.22101011
O        1.37327000       0.79434000      19.35297000      -0.13562132       0.62890631       1.35970936
O        4.54150000       0.76667000      19.59935000       0.61360378       0.63549982      -0.83821501
O        2.97256000       3.64981000      19.53873000      -0.10130325      -0.19079625      -0.92775823
O        4.21879000       2.44181000       0.20163000       0.20076531      -0.87419782      -0.12176252
O        1.54525000       2.38677000       0.33562000       0.30729389       0.08097386      -1.57239592
O        0.17523000       5.05630000       0.39258000      -2.07285081       1.42874926      -1.31560292
O        1.30848000       4.07989000       9.83603000       0.30693690       0.99105368       1.65411491
O       -1.43059000       4.05533000       9.82233000       0.58671801       0.67724779       1.08823972
O       -0.13780000       1.83729000      10.01685000       0.48929339      -0.59909899      -0.49638756
O        1.53563000       0.94736000      12.31969000      -0.09891082      -0.35428341       0.59739828
O        4.20963000       0.72256000      12.24031000       1.16089119       2.22637639       1.23908974
O        2.81079000       3.27373000      12.33400000       0.23587193       1.52555029      -1.32546557
O       -1.23854000       2.75530000      21.77261000      -0.73911631      -0.36098743       1.10889880
O        1.41469000       2.49673000      21.71141000       1.26650908       1.86504043       1.33759587
O        3.02078000       0.00150000      21.82895000       0.26257393      -0.03492052       0.00423210
O        1.53973000       4.18063000       2.68186000       0.65662290       1.33032750      -0.83621527
O       -1.66215000       4.36236000       2.43580000       0.80496310      -1.62358908       1.82872687
O        0.04443000       1.52868000       2.58177000      -0.65100351      -0.05991595      -0.59608072
O        1.39154000       0.73369000       5.16661000      -0.65061742      -0.31428198      -0.35500472
O        4.51238000       0.78896000       5.09519000      -0.68227339      -0.67699964      -0.51541240
O        2.92405000       3.58377000       5.13092000      -0.01189152      -0.55752950      -0.37506828
O        4.15987000       2.67659000      14.74448000       2.63462800      -0.10295566       0.78362924
O        1.69441000       2.63949000      14.79144000      -1.62463808       0.09662994       0.29544599
O        3.04912000       0.36824000      14.72116000       0.47457706      -1.83804509       1.26383573
O        1.27800000       4.26905000      24.32600000       3.86847322      -0.88012933      -1.02331566
O       -1.27774000       4.18276000      24.25224000      -0.26636897      -0.20599495      -0.53887187
O        0.01851000       1.80071000      24.22473000      -0.14944333       0.49914561      -0.39294934
O       -0.00024000       0.02413000      21.63602000       0.26339497       0.18141875       1.49210471
O        2.96400000       1.76363000       2.50653000      -0.08123699      -1.01693802      -1.68662423
O       -0.28923000       3.41568000      12.15850000       1.87774733      -0.23310335       1.43364187
O        2.77735000       4.92617000       7.29113000       0.83833684       0.85443779      -0.21720060
O        3.07096000       1.85479000      17.11961000       0.23311594      -0.02875277      -1.58781251
O       -0.05113000       3.36946000      26.28005000       0.47467391      -1.83516289       2.19753282
O        2.96808000       5.03616000       0.37676000      -0.54686344       0.91536221       0.83390028
O        2.74070000       1.66316000       9.95477000       0.66788918      -0.17826222       1.62785579
O       -0.08970000       3.41760000      19.70921000       1.39007735       0.55073534      -1.93212140
O        0.14203000       1.58715000      17.03581000      -0.16126381       2.05761456       0.43587044
O        1.51594000       4.42135000      16.99357000       1.21710590       0.77864633       0.39591688
O       -1.57364000       4.51581000      16.91419000       0.17695698      -1.27891891       1.80477428
O        2.87016000       3.34487000      26.43063000       0.26634506      -3.18280150      -0.67151318
O        1.54423000       0.82230000      26.40984000       0.65881721       0.67054995      -0.19026265
O        4.25040000       0.90498000      26.42929000       1.11170204      -0.02247067       1.00370703
O       -0.13045000       4.83788000       7.41757000       1.56341124       0.18948775      -0.31531682
O       -1.34428000       2.61323000       7.53256000      -0.88280313      -2.26178915      -1.13015183
O        1.28657000       2.49791000       7.36336000       0.15613634       0.27026030      -0.39515376
Zn      -2.85991000       5.01650000      27.16331000      -1.18010976       0.84791711      -0.70675560
Zn       2.95972000       1.54349000       7.99522000      -0.42068716       0.86062554       0.73675978
Zn      -0.03699000       3.58488000      17.73183000      -0.25465634      -0.67422637       0.17984189
Zn      -2.86968000       5.07795000      23.62253000      -0.12706615      -0.01351636      -0.33310351
Zn       2.87028000       1.83033000       4.35868000      -0.04582312      -0.96330418       1.50089070
Zn      -0.04580000       3.47936000      14.24453000       0.44855158       0.61674655      -0.84182842
Zn      -2.91616000       5.08749000      13.40601000      -0.23009565       0.30070814      -0.83760946
Zn       3.19366000       1.84790000      23.04040000      -0.49955220      -0.44183251      -1.51512560
Zn      -0.13455000       3.27212000       3.49916000       0.43823881       0.79593655       0.51196213
Zn       0.09070000       0.04366000       9.19810000      -0.97470360      -0.26136207       0.97407565
Zn       3.02913000       1.76600000      19.11051000      -0.52840988       0.40481361      -0.72877638
Zn      -0.06511000       3.33418000      28.29455000       0.48728236      -0.87941151      -0.15649491
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.17888139 magmom=72.0022823 free_energy=-554.17888139 stress="-0.035674115267928894 -0.0007644202044269401 -0.0027581777331100103 -0.0007644202044269401 -0.04112170369026022 0.0084111343125648 -0.0027581777331100103 0.0084111343125648 -0.03802189719232233" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.68409000       1.02306000      15.88472000      -2.23069954      -1.63054016       0.01816577
Cr       4.62765000       0.99925000      15.81120000      -0.57929307      -0.12484957       0.53400232
Cr       2.94363000       3.50438000      15.93284000       1.03460752       1.30199673      -1.04141354
Cr       4.37455000       2.53115000      25.31660000       2.24826282      -1.71313130      -0.01705182
Cr       1.59455000       2.55738000      25.33963000      -2.70361800      -0.81291301      -1.94171262
Cr       0.03146000       5.05344000      25.49018000      -0.55768295      -0.49132359      -1.64110973
Cr       1.37416000       4.14859000       6.15036000       0.80059275      -1.02619672      -0.55841167
Cr      -1.56284000       4.13837000       6.33488000       0.11676098       0.14183072      -1.64047767
Cr      -0.05672000       1.60511000       6.26832000      -0.70961012       0.83734304      -0.06465101
Cr       0.00573000       0.07340000      18.18204000       0.38644988       0.17736125       0.43399533
Cr       2.85135000       1.55984000      27.77436000       0.08242807       3.09384000      -2.41746804
Cr      -0.02960000       3.33139000       8.71253000       0.24575991      -1.02231762      -0.74670971
Cr       2.93664000       5.03712000       3.84460000       0.26636843       0.01045157       0.03457902
Cr       2.94001000       1.85921000      13.48447000      -0.35864657      -0.45833204       0.57125070
Cr       0.17107000       3.51690000      23.00029000       0.14363182      -1.34162007       1.15029072
Cr       0.11828000       1.81090000      20.69457000      -1.16068778      -1.32842801      -0.68561654
Cr       1.49864000       4.19581000      20.57175000       2.83070578       3.27585914       0.89112178
Cr      -1.37040000       4.42852000      20.62631000      -0.61961043      -2.20961037       0.54661372
Cr       2.96001000       3.41284000       1.41650000      -1.25004991      -1.66997059       1.25761950
Cr       1.56740000       0.73467000       1.39567000      -3.22717769       1.11657834       3.06659558
Cr       4.42187000       0.81342000       1.50641000       1.06418642      -1.15658819      -0.27022543
Cr       2.73955000       0.06203000      11.08051000       0.87051926      -1.32169921       0.76540683
Cr       4.16442000       2.56364000      11.20298000       1.54510440       0.72069384      -2.45788159
Cr       1.18953000       2.65655000      11.14428000       2.34235259      -1.73951852       1.04938560
O        1.39450000       0.82425000      19.44949000      -0.78490014       0.14823677      -0.01055119
O        4.63345000       0.76891000      19.53408000      -0.02023289       0.79637728      -0.29185956
O        2.99104000       3.58246000      19.46568000       0.76359854       0.40808263      -0.49228956
O        4.21782000       2.33263000       0.30495000       0.84983935       1.18560672      -0.58929633
O        1.50188000       2.45469000       0.40223000       0.47214418      -0.06780404      -0.97958751
O        2.81693000       0.08818000       0.23213000       2.04053301      -2.18812265       0.38318260
O        1.16700000       4.18991000      10.02858000       0.70289888       0.84822511      -1.26557768
O       -1.39202000       4.03734000       9.83129000      -1.08077205       1.27761788       0.96152246
O       -0.17655000       1.81035000      10.02852000      -0.12432114      -0.04899935      -0.47498844
O        1.50784000       0.95825000      12.26644000      -0.19644215       1.13565197       0.69308451
O        4.17102000       1.01100000      12.25370000      -0.38249599      -0.83143422       0.44424023
O        2.80934000       3.50981000      12.24743000      -0.52680216      -1.17454820       0.44422180
O       -1.17154000       2.75415000      21.92895000      -1.20394032      -0.78448863      -1.73303450
O        1.55892000       2.70480000      21.71341000      -0.31163278      -1.31510987       1.39550946
O        0.10367000       4.95865000      21.82767000       0.19174041       2.44587207      -0.74127139
O        1.59216000       4.31480000       2.69722000      -0.60906777      -0.77738915      -1.06277761
O       -1.57852000       4.16926000       2.57856000       0.22895932       0.91760294       0.09525032
O        0.05948000       1.40221000       2.54887000      -0.22648362       1.29678725       0.77910519
O        1.22952000       0.76222000       5.13347000       1.53172597      -0.67517797      -0.27195769
O        4.47752000       0.70807000       5.04199000      -0.20520799       0.18491920       0.11966595
O        2.95756000       3.48949000       5.09712000      -0.50501478      -0.28420793      -0.17691446
O        4.33041000       2.59603000      14.84257000      -0.25103311       0.84369979      -1.73528464
O        1.62853000       2.67022000      14.85692000       0.42379867      -1.03027000      -1.24039654
O        3.17113000       0.23620000      14.75045000      -1.18415867       0.67795516      -0.71252203
O        1.51364000       4.27592000      24.26025000      -1.51926917      -0.50085165       1.20193296
O       -1.33804000       4.09175000      24.23263000       1.35269704       1.05383845       0.44195052
O        0.06693000       1.92851000      24.18585000       0.16829744      -1.08227265       0.16211947
O        0.07833000       0.04173000      21.57273000      -0.17335598       0.34103616       1.50170837
O        2.98738000       1.70593000       2.32052000      -0.81861537      -0.49929217       2.91355081
O       -0.20678000       3.37190000      12.27257000      -0.38914595       0.78810896      -0.95700183
O        2.81830000       4.97724000       7.23689000       0.19249469       0.46141179       1.24829393
O        3.04931000       1.84959000      16.84225000       0.89923044      -0.59255282       2.23688282
O        0.03170000       3.23956000      26.38563000      -0.15263564       1.22009613      -0.33677008
O        2.96088000       5.04802000       0.50079000      -0.17767787       0.68391572      -1.57850273
O        2.71655000       1.60296000       9.95645000       0.12019991       1.33557276       0.23136001
O        0.08404000       3.54118000      19.55216000      -1.24164387      -1.11129378       1.18001756
O        0.08877000       1.76109000      17.13148000       0.35090511      -1.63211196      -1.31434533
O        1.54013000       4.48694000      16.86978000       1.20343106      -0.00555320       1.45238001
O       -1.52522000       4.42441000      16.83175000      -0.31345751       0.85203187       1.54625182
O        2.95901000       3.18095000      26.37934000       0.78141281       0.96283648       2.62187213
O        1.48169000       0.94525000      26.41510000       0.94103824      -1.28338966       0.54652635
O        4.26653000       0.84485000      26.59581000      -0.13366026       0.41546723      -0.61721142
O        0.00362000       4.74600000       7.27259000      -0.87627259       1.31240224       1.47363223
O       -1.40080000       2.54197000       7.42565000       0.32419882      -0.34998020      -0.06582954
O        1.32447000       2.53076000       7.36989000      -0.27236553      -0.16067752      -0.09677557
Zn       2.89828000       4.98236000      27.20159000       0.28236929       0.37505748      -0.68672535
Zn       2.94994000       1.47787000       7.91265000      -0.46129488       0.65142609       0.95921691
Zn      -0.01538000       3.58779000      17.72942000       0.07460712       0.07056715      -1.66753786
Zn      -2.82791000       5.03903000      23.60542000       0.20590582       1.80847889      -1.09889289
Zn       2.82740000       1.69234000       4.39005000       0.21153153      -0.54044135      -0.19570525
Zn       0.05256000       3.41706000      14.19760000      -0.64154261       1.04921644      -0.36468140
Zn       0.12518000       0.16876000      13.43034000      -0.64552108      -0.42532991      -0.06296558
Zn       3.23331000       1.81262000      22.98532000      -0.46313418      -0.34820177      -0.87573398
Zn      -0.21607000       3.23599000       3.58705000       1.18695831      -0.11775902       0.51906691
Zn      -2.90456000       5.09498000       9.31937000      -1.06892707      -0.00389901       0.04929746
Zn       3.00263000       1.69131000      19.13852000       0.92192064       0.66446599      -1.24503116
Zn      -0.07787000       3.36331000      28.29714000      -0.04206605      -1.01032156       0.50387882
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.54652067 magmom=72.0019609 free_energy=-553.54652067 stress="-0.04250652602582279 0.01069361726889081 0.015321607837307422 0.01069361726889081 -0.039721497682460756 0.003263885886306899 0.015321607837307422 0.003263885886306899 -0.043370250281959434" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.58741000       0.97653000      15.86191000       0.13001634      -1.09207151       0.13993766
Cr       4.56298000       1.01240000      15.75925000       0.37454145      -0.41055901      -0.06276967
Cr       3.00025000       3.51686000      15.92095000       1.11911898      -0.88633998      -2.25549690
Cr      -1.41886000       2.47273000      25.34406000       0.80681840      -0.47246154       0.62718832
Cr       1.58169000       2.56518000      25.33933000       0.63334395      -1.50498931       1.06498212
Cr       2.90902000       0.01681000      25.48231000       2.55181537      -0.97305312      -0.45052098
Cr       1.40670000       4.09723000       6.09679000      -0.73339838       0.60343294       1.60806569
Cr      -1.64069000       4.20606000       6.19671000       2.29659787      -1.65683132       2.01894342
Cr      -0.03999000       1.66074000       6.25985000      -0.49478233      -1.46725644      -1.67403679
Cr       0.07002000       0.00682000      18.11246000       0.87948317       3.22358259       3.61775148
Cr       2.83752000       1.75553000      27.79623000       1.94830784      -3.59195808       0.07762866
Cr      -0.07220000       3.28410000       8.71766000      -0.30645464       1.41392772      -0.78350615
Cr       2.92405000       4.96540000       3.83462000      -0.37975119       0.69599835       0.19106974
Cr       2.90141000       1.83292000      13.49343000       0.51839898       1.14367758      -0.37668158
Cr       0.12609000       3.41214000      23.04781000       1.37534415       1.68142700      -1.09031273
Cr       0.11113000       1.80316000      20.68054000       0.02188399      -0.50603499       0.20505070
Cr       1.62803000       4.27154000      20.53560000       0.90046596       1.41483750       1.71565750
Cr      -1.29737000       4.35264000      20.67423000      -1.71702573       0.28862979      -0.19335754
Cr       2.89363000       3.36498000       1.53313000       1.81258967      -1.39844387      -0.83651977
Cr       1.50085000       0.77307000       1.50691000      -0.18015051      -0.51646580      -0.50832897
Cr       4.50882000       0.72788000       1.51900000      -3.13701384       2.60299664      -1.44961444
Cr       2.60253000       0.12006000      11.05096000       3.23006382       0.25929877       2.73637290
Cr       4.12071000       2.62236000      11.14703000       2.15819024       0.50629681      -0.38986245
Cr       1.21114000       2.68224000      11.14234000       1.43892519       0.53803041      -0.21079832
O        1.29211000       0.84758000      19.55792000       2.46945930      -0.30167042      -1.41899050
O        4.75205000       0.90897000      19.39815000      -0.90914664      -0.88612689       0.63154095
O        3.13067000       3.60665000      19.33357000      -0.44952892      -0.42361886       1.19896411
O        4.32958000       2.39224000       0.35750000      -1.52625037      -0.27816679       1.05679123
O        1.56063000       2.50580000       0.33132000      -0.33800913      -0.17688103       1.50484181
O        2.80787000       0.01485000       0.18833000       0.65604636       1.90147831       1.84454568
O        1.11539000       4.37833000      10.05229000       0.03722488      -1.27456951      -1.50929414
O       -1.46894000       4.20031000      10.01307000      -0.49931247      -1.02670560      -2.24556527
O       -0.20117000       1.84571000       9.97818000      -0.00514399      -0.13592991       0.14504914
O        1.49298000       1.16901000      12.31801000      -1.05109333      -1.27864913       0.17006590
O        4.07815000       1.17179000      12.31291000       1.69753222      -2.71752542      -1.29500123
O        2.73828000       3.45776000      12.20253000      -0.06788718       0.25947444       1.05051212
O       -1.22875000       2.66350000      21.78778000      -0.12428169       0.69973946       0.46931946
O        1.58674000       2.79570000      21.91408000      -0.37644753      -0.82207515      -1.29896309
O        3.12561000       0.01565000      21.69593000       0.16012509      -0.59383162       0.82458978
O        1.62429000       4.31002000       2.55553000      -1.08899214      -1.76923797       1.57805288
O       -1.55709000       4.17744000       2.72892000      -0.59800130       0.53442696      -1.14189321
O        0.00648000       1.43474000       2.65897000       0.35465661       0.74017212       0.47005081
O        1.25271000       0.65169000       5.09594000       0.07755149       0.54277880       0.18936398
O        4.46248000       0.60586000       5.03134000       0.29869997       0.73240265       0.11252637
O        2.89554000       3.40319000       5.05701000       0.00200849      -0.26990723      -0.14599030
O       -1.47748000       2.59824000      14.67386000      -1.58314453       0.42536853       0.49650960
O        1.67831000       2.50676000      14.74197000      -0.68094842       1.97605142       1.37289139
O        3.07543000       0.26045000      14.70137000      -0.39643359      -0.69518336       0.08924062
O        1.52810000       4.16856000      24.39207000      -0.31617506       1.68449054      -1.23084934
O       -1.14384000       4.13672000      24.30337000      -2.43749347       0.33499897      -0.80592189
O        0.14098000       1.88391000      24.19228000      -0.40578068      -1.14528730       0.29036958
O        0.15315000       0.12860000      21.71032000      -0.22858978      -0.80225935      -1.53012258
O        2.90894000       1.53000000       2.55242000       0.78030985       1.08232407      -1.06663572
O       -0.15652000       3.46796000      12.16270000      -1.36992984       0.85785041       0.39427535
O        5.87632000       0.00477000       7.33550000      -0.31170929      -0.88910956      -0.38268268
O        3.12872000       1.76756000      16.82275000      -0.78405469       0.42290853       1.36798467
O        0.10202000       3.29743000      26.37378000      -0.46964800       0.56313559       0.21036586
O       -0.00182000       0.03929000       0.45311000       0.75208083      -1.50390794       0.39122958
O        2.72752000       1.77471000      10.08673000      -0.66534253       0.39534485      -1.83444882
O        0.10123000       3.48323000      19.62043000       0.39800785       0.02450677      -0.82164880
O        0.11202000       1.69455000      16.93494000       0.12612539       0.21124149       0.30171970
O        1.74495000       4.55445000      16.92523000      -2.42923411      -1.73424809      -0.50442725
O       -1.52289000       4.45482000      16.99747000       0.56558703      -0.32341122      -1.19300556
O        3.13582000       3.09330000      26.60330000      -1.11660764       3.33572121      -2.04879929
O        1.59160000       0.90231000      26.46687000      -1.31224706       0.37182264       0.40968047
O        4.26638000       0.91269000      26.60472000      -0.19864164       0.11181256      -0.89687877
O        0.06161000       4.80889000       7.35578000      -1.49249757      -1.11743660      -0.69446694
O       -1.39128000       2.42176000       7.27638000      -0.86083433       2.04494294       1.23297863
O        1.25780000       2.56340000       7.32514000       0.88160779      -0.36300215       0.86626581
Zn       2.77100000       4.97587000      27.20109000       1.08657505       0.06314937      -0.97460100
Zn       2.91276000       1.45827000       7.88275000      -0.36970642       1.52195589       1.29166211
Zn       0.01163000       3.58100000      17.65931000       0.91249490      -0.82665200      -0.09795453
Zn      -2.78496000       5.08328000      23.54716000      -0.20858506      -0.22133236       1.38250127
Zn       2.79745000       1.52312000       4.41771000       0.82567637       0.08411321       0.62823753
Zn       0.12456000       3.41780000      14.12329000      -0.08320702       1.30074335      -0.88884063
Zn       0.17821000       0.33801000      13.45609000      -1.23490451      -1.02674801      -0.19942738
Zn       3.24303000       1.75785000      22.89367000      -0.81889429      -0.21848252      -0.21017603
Zn      -0.22827000       3.19451000       3.71559000       0.85273500      -0.11792049       0.34466514
Zn       2.88525000       5.03944000       9.43994000      -1.49088898       0.81339853      -0.60984389
Zn       3.01491000       1.65288000      19.10348000      -0.09761845       0.39501230      -0.76082254
Zn      -0.08959000       3.33337000      28.31940000       0.21537841      -0.38716055      -0.23038203
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.9392219 magmom=72.0019232 free_energy=-551.9392219 stress="-0.04362012032425233 -0.0014455073366652885 0.0023990154144683425 -0.0014455073366652885 -0.03770117447465877 0.0035911410797687757 0.0023990154144683425 0.0035911410797687757 -0.0325235981373771" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47734000       0.85025000      15.85706000       3.00964326       2.32967377      -1.75708669
Cr       4.51496000       0.98447000      15.74210000      -1.64989048      -0.98210648       0.23437827
Cr       3.12057000       3.53081000      15.85627000      -2.05377054      -0.97930420       0.75972097
Cr      -1.25481000       2.39873000      25.40281000      -2.19157880       3.97351631      -1.55320930
Cr       1.58935000       2.48908000      25.41735000       1.05983721       1.37361189      -0.16875022
Cr       2.94653000       0.05900000      25.45269000      -0.80994261      -0.64482180      -1.89589217
Cr       1.39750000       4.06227000       6.13638000      -0.16201642       0.83874527       1.69920941
Cr      -1.58723000       4.16366000       6.16706000      -0.50603629      -1.13822768       0.99286158
Cr      -0.06537000       1.65625000       6.18657000      -0.42494282      -0.99746390       0.94460576
Cr       0.16714000       0.06394000      18.16914000      -0.63234086       0.29211221       0.39198745
Cr       2.90726000       1.80687000      27.82792000      -0.20147497      -1.10444363      -0.21723409
Cr      -0.13935000       3.31116000       8.65877000      -0.70795486       0.56414219      -0.98189626
Cr       2.87659000       4.93210000       3.83097000      -1.17614926       0.32461849       0.25434681
Cr       2.89279000       1.84870000      13.46292000       0.01271769      -0.64991389      -0.48461678
Cr       0.15353000       3.39005000      23.05183000      -0.40298875       1.56257340      -0.40447460
Cr       0.11071000       1.75691000      20.65111000       2.24182047       1.94934753      -0.66202979
Cr       1.82788000       4.45257000      20.57875000      -5.09330686      -3.79864577       0.02517628
Cr      -1.30286000       4.28402000      20.69622000       1.86370143       1.20186014      -2.20049998
Cr       2.91212000       3.21685000       1.60293000      -0.25956323       3.33822326       1.37984197
Cr       1.42484000       0.81186000       1.58609000       0.11910817      -0.08555359      -0.12195763
Cr       4.43231000       0.75635000       1.46485000       0.97751864      -1.18123711       3.13479712
Cr       2.63867000       0.17791000      11.14311000       1.13499647       0.81335826      -2.37206395
Cr       4.19376000       2.71610000      11.04768000      -0.07387404      -1.43566605       0.67148887
Cr       1.30565000       2.74035000      11.14248000      -2.09114795       0.98735921      -1.28855059
O        1.50694000       0.80928000      19.46404000      -1.58215833      -0.58488818       0.48487784
O        4.78847000       0.90003000      19.39871000      -0.29447879      -0.35215457       0.01426620
O        3.21481000       3.62518000      19.41497000      -0.48087877      -0.09159902       0.18779299
O        4.23642000       2.43128000       0.54266000       1.94375734       0.08629607      -2.49131522
O        1.55925000       2.50352000       0.46516000      -0.76876324      -0.83254563      -1.36197941
O        2.97189000       0.20390000       0.46810000      -1.37444496      -1.46325652      -2.51092933
O        0.99512000       4.31905000       9.82536000       0.24124619       0.17935069       1.53974053
O       -1.54063000       4.24282000       9.89867000       0.22776939       0.71667281      -0.20802619
O       -0.21394000       1.93111000       9.97758000       0.22188346      -0.89741085       0.52275171
O        1.38275000       1.22466000      12.35572000       0.61286469      -0.88492266      -0.84492010
O        4.16714000       0.91881000      12.18572000      -0.37542185       1.28306994       0.26490471
O        2.70171000       3.35151000      12.30874000       1.10207507       1.60972281      -0.32578795
O       -1.25509000       2.68630000      21.69043000       0.10596393      -0.86906974       1.96599009
O        1.47981000       2.72536000      21.88598000       1.08638585      -0.53698208      -0.87885254
O        3.21042000       0.03860000      21.67356000      -0.23332147      -0.93547451       0.95519964
O        1.52511000       4.06212000       2.62676000      -0.42635763       1.56176409       0.51760420
O       -1.70683000       4.33638000       2.63810000       1.75262906      -1.91545061       0.55375554
O       -0.01883000       1.51935000       2.82129000      -0.48262124      -0.59087303      -1.31337907
O        1.25561000       0.59771000       5.10547000      -0.66610395       0.99865527      -0.31680835
O        4.53140000       0.59694000       5.08983000      -0.87408854       0.56863940       0.14526422
O        2.82593000       3.34301000       5.03557000       0.51421319      -0.30129738       0.19755010
O        4.21077000       2.66016000      14.57288000       2.88580829      -0.40324509       0.68888017
O        1.71168000       2.61152000      14.86686000      -1.28093406       0.02316391      -0.80686734
O        2.88930000       0.24904000      14.65616000       1.11996892      -0.57278105       0.34201850
O        1.39106000       4.23090000      24.35575000       1.04854489      -0.09277659      -0.81290657
O       -1.26730000       4.23613000      24.26097000       0.77058813      -1.46904288      -0.12479649
O        0.16870000       1.74376000      24.28110000      -0.06595008       1.14321627      -0.38378176
O        0.20504000       0.08303000      21.58667000       0.67734489       0.36301264       2.37400048
O        2.94617000       1.54422000       2.56576000       0.24091132      -0.06619044       0.49988434
O       -0.30834000       3.67513000      12.04174000       0.94712203      -1.83989353       2.14990818
O        0.02995000       0.01176000       7.32742000      -1.17014187      -0.67213204      -0.55715141
O        3.10689000       1.74828000      16.97915000      -0.23103103       0.32073132      -1.28153790
O        0.10431000       3.46519000      26.33112000       0.13841756      -1.22473472       2.02177634
O        3.01679000       4.99109000       0.51463000      -1.10853651       0.31880565      -0.79950850
O        2.67041000       2.03825000       9.96361000       0.59909829      -1.76976430       0.08958735
O        0.16572000       3.41987000      19.65022000       0.52391753       0.85235717      -1.15617604
O        0.08898000       1.62628000      16.77229000      -1.11130135       0.69747273       2.44013326
O        1.61756000       4.36680000      16.94046000       2.51592267       1.66493653      -0.45639383
O       -1.43275000       4.44628000      16.96453000      -0.93694008      -0.84492965       0.04881131
O        3.17768000       3.39687000      26.55840000      -0.49712915      -3.90384789      -1.33079893
O        1.54557000       0.88618000      26.57016000       0.44446043       0.99527912       0.05855018
O        4.21087000       1.00881000      26.46407000       1.00862756      -1.52001943       2.80574762
O       -0.17434000       4.71095000       7.31863000       1.63257225       2.20950397      -0.32095705
O       -1.42840000       2.63746000       7.29566000      -0.60508161      -2.32757706       0.52850673
O        1.25002000       2.53796000       7.37517000      -0.08905976      -0.09727752      -0.14951812
Zn       2.68882000       4.99326000      27.15701000       0.68534090       2.13740405       1.23751545
Zn       2.85053000       1.50997000       7.91710000       0.13983503       0.35549531       0.49121985
Zn       0.09106000       3.53291000      17.57071000       0.13949176      -1.31718589       1.37260053
Zn       0.20588000       0.01526000      23.53609000      -1.17194210      -1.04243376       0.10212230
Zn       2.81427000       1.34251000       4.47969000       1.27580622       1.14329621      -0.22552295
Zn       0.18538000       3.49394000      13.99732000      -0.59463072       0.43060158      -0.15091967
Zn       0.15818000       0.46293000      13.49285000      -1.97741796      -1.57636059       0.11033326
Zn       3.20788000       1.68629000      22.78900000      -0.68475274       0.30473332       0.15732129
Zn      -0.18410000       3.14513000       3.89047000       0.46948921       0.82265309      -0.77432098
Zn       2.68649000       5.02746000       9.52931000       0.47504069       1.23019927      -1.24082739
Zn       3.03636000       1.64155000      19.01453000       1.37265695       1.41247023      -1.00463024
Zn      -0.09518000       3.28487000      28.34530000       0.18136952       1.01485593       0.57984599
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.22452061 magmom=71.9972497 free_energy=-552.22457201 stress="-0.04306716794777986 -0.007211412624552511 -0.017834929931590224 -0.007211412624552511 -0.023230245771165853 -0.0013159604394596843 -0.017834929931590224 -0.0013159604394596843 -0.03410135271648073" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48883000       0.82945000      15.82087000      -0.36582049       2.85701029       0.05010713
Cr       4.40497000       0.89439000      15.76797000       1.07966804       0.73514418       0.28655194
Cr       3.13130000       3.50396000      15.85317000      -1.36939302      -1.23672423      -1.41976594
Cr      -1.22458000       2.51174000      25.41728000      -1.40735175      -0.08202830       0.09392598
Cr       1.66962000       2.46083000      25.53892000      -3.49628986       1.43747254      -4.00392076
Cr       2.97687000       0.06775000      25.34936000      -0.01622183      -0.54547398       0.77242344
Cr       1.37594000       4.07141000       6.28249000       0.75206149       0.68110192      -1.44569302
Cr      -1.55437000       4.03955000       6.20461000      -2.33328850       1.36955732      -1.49589972
Cr      -0.11922000       1.58921000       6.17891000      -0.25351813       0.12828851       1.82363223
Cr       0.21567000       0.13619000      18.23424000      -1.38255480      -2.13602433      -1.35308593
Cr       2.95885000       1.78080000      27.85557000      -0.84860493      -1.08554038      -0.11054908
Cr      -0.25244000       3.38681000       8.54565000       0.05657440      -0.26993275       1.24969081
Cr       2.76748000       4.91506000       3.83784000       1.37776167      -0.23558475       1.33331361
Cr       2.91359000       1.85257000      13.39921000      -0.11392427       0.36033528       0.94952990
Cr       0.18519000       3.44549000      23.01202000       0.23564268      -1.73091741       0.24449879
Cr       0.23562000       1.80864000      20.57669000      -0.27212448      -0.61434761       0.79871047
Cr       1.77589000       4.44049000      20.62416000      -1.04979877      -3.10393980       1.08196375
Cr      -1.21522000       4.26858000      20.60831000       0.49810582      -0.34414531       1.21964319
Cr       2.92979000       3.21703000       1.66231000      -0.73960204       1.92039070      -1.15691066
Cr       1.36916000       0.82411000       1.62960000       0.76049759      -1.70628311      -1.10579220
Cr       4.38146000       0.73965000       1.54357000       0.05330140      -1.27625551      -0.20301310
Cr       2.75551000       0.25254000      11.12974000      -2.35958241      -1.87224393      -3.32739366
Cr       4.27411000       2.74630000      10.98730000      -1.49759732       0.05593359       0.72938546
Cr       1.31255000       2.84827000      11.08309000      -0.43167244      -2.05361522       0.60175972
O        1.54084000       0.69030000      19.42937000       1.12307690       2.00389168       0.27546154
O        4.77421000       0.83701000      19.45793000      -0.14330723       0.94146662      -0.36502334
O        3.21037000       3.62044000      19.55001000      -0.33266402      -0.47355212      -1.60667079
O        4.37208000       2.43065000       0.43288000      -2.12585184      -0.97757541       1.06344273
O        1.46251000       2.38017000       0.46309000       1.38040306       0.53450636       0.07927078
O        2.89234000       0.18968000       0.38938000      -0.19781175      -0.61574397      -0.02969176
O        0.89146000       4.24434000       9.84730000       1.00744929       1.29197507       0.20784704
O       -1.55755000       4.32572000       9.73104000      -0.57978691       0.20671953       1.12173608
O       -0.19090000       1.93415000      10.03592000       0.38123533      -0.15604577      -1.38868787
O        1.42573000       1.13693000      12.19282000      -0.23119154       0.82280369       1.22411918
O        4.18020000       0.91813000      12.06416000       1.07735908       1.92440647       1.89931879
O        2.84713000       3.44188000      12.31195000      -0.49189040       0.27358767      -0.94523638
O       -1.17215000       2.65067000      21.86850000      -0.03170253      -0.39109909      -1.68667213
O        1.49904000       2.59594000      21.69634000       1.71229548       1.06842964       0.95792157
O        0.29322000       4.92687000      21.80506000      -0.73070132       1.47425107      -0.93558863
O        1.41152000       4.10401000       2.81398000      -0.17474970      -0.03500025      -1.17160978
O       -1.65654000       4.22287000       2.64896000       0.18672854      -0.04829023       1.48015587
O       -0.12821000       1.42880000       2.75077000       0.09415165       0.59914481       0.39740792
O        1.11610000       0.67487000       5.07775000       1.70932508      -0.81779500      -0.29270854
O        4.48887000       0.63924000       5.18553000      -0.24828330      -1.07376757      -0.56991778
O        2.82732000       3.30280000       5.09450000       0.06963430      -0.15350014       0.42206977
O        4.35407000       2.58222000      14.61456000      -0.02992072      -0.77579586      -0.23659307
O        1.54933000       2.73341000      14.89420000       0.97511164      -1.65968324      -1.09182352
O        2.89374000       0.20969000      14.68138000       0.50643179       0.78292854      -0.58128652
O        1.39894000       4.32362000      24.16764000       1.23339295       0.08161468       1.47263406
O       -1.25431000       4.06170000      24.20880000       0.41588413       1.05474381       0.41999042
O        0.18992000       1.86458000      24.33329000       0.55466734      -0.80290658      -0.83287117
O        0.33131000       0.06566000      21.67639000      -0.45377782       0.40887704      -1.14392071
O        2.99676000       1.56406000       2.56252000      -1.21331568      -0.56410949       1.70587677
O       -0.32285000       3.64582000      12.14603000       1.01425914      -0.03067965      -1.95852563
O        2.83012000       4.98281000       7.15440000       0.28649783      -0.16080076       1.76890977
O        3.00790000       1.78606000      16.85345000      -0.31523348      -0.44318241       0.19821965
O        0.11900000       3.47039000      26.54126000       0.44772494      -0.06251009      -1.92443901
O        2.89336000       4.87980000       0.55045000      -0.13472834       0.82304573      -0.46193510
O        2.70823000       2.00150000       9.90483000       0.47712839      -0.70795552       1.40819470
O        0.32834000       3.49790000      19.50670000      -0.46920892       0.01349342       0.14094323
O       -0.11252000       1.64419000      16.98085000       1.50661517      -1.09105672      -0.61466248
O        1.83865000       4.44276000      16.86639000      -1.19907730       0.06317292       1.57197399
O       -1.41402000       4.31875000      16.85074000       0.28592075       1.12571657       1.40932417
O        3.10834000       3.17737000      26.28381000       1.34501038       2.59589498       3.46517991
O        1.55632000       1.00993000      26.66136000       0.38060441      -1.85497739      -0.22611509
O        4.26612000       0.95717000      26.64140000      -1.35371614       1.11442392      -1.85491820
O       -0.15077000       4.90779000       7.21544000       0.29832292      -0.33181476       1.01730063
O        4.36881000       2.52066000       7.39330000       0.70812433      -0.55702753      -0.60615454
O        1.15325000       2.52248000       7.37346000      -0.14603592      -0.33732574       0.60080739
Zn       2.66944000       5.07848000      27.15599000       3.30137107      -1.87247054       1.33697071
Zn       2.78693000       1.59387000       7.99054000      -0.51839277       0.03498479       0.10292286
Zn       0.20000000       3.42120000      17.53831000       0.53696335       0.75066907       0.26520251
Zn       0.18737000       0.01306000      23.54957000      -0.50983681       0.09295615       1.16363971
Zn       2.89038000       1.20927000       4.55050000      -1.42644111       1.75928779      -0.97376024
Zn       0.22105000       3.59874000      13.86161000      -0.43240329      -0.59177895       1.76765909
Zn       0.03382000       0.51508000      13.54866000      -0.15408119      -1.00741217      -1.08991687
Zn       3.13026000       1.62405000      22.69095000      -0.17340250       0.51059806       0.46202992
Zn      -0.10987000       3.13222000       4.04963000       0.12213082       0.44319200      -1.91333388
Zn       2.49355000       5.08256000       9.55840000       2.50391963       1.04062539      -1.08962238
Zn       3.11657000       1.69968000      18.86577000       0.12285965       0.70051758       0.01583333
Zn      -0.08521000       3.28877000      28.39470000       1.17664513       1.80375421       0.55620898
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.82497439 magmom=72.0083497 free_energy=-551.82556039 stress="-0.03844584873498112 -0.002119616767534847 9.900595723385057e-05 -0.002119616767534847 -0.03921679195932005 -0.0038861095269828072 9.900595723385057e-05 -0.0038861095269828072 -0.039596029630193444" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46752000       0.93870000      15.82285000      -1.35464567      -1.21577141      -0.75523512
Cr       4.36809000       0.83584000      15.82065000       2.17797107       0.98722809       0.21003172
Cr       3.06334000       3.44344000      15.81532000       0.97420107       1.25790687      -0.98109886
Cr      -1.29603000       2.62955000      25.44092000      -0.23134002      -1.90220997      -0.15462953
Cr       1.62270000       2.50140000      25.52867000       0.91463213       1.08879313      -1.59360635
Cr       3.00979000       0.05292000      25.29078000       0.64367206       0.81494764       1.38403717
Cr       1.36758000       4.09482000       6.36327000      -0.83336608      -1.53761724      -1.31342334
Cr      -1.65316000       3.98078000       6.17177000       1.13868966       1.66284863       0.77634817
Cr      -0.17843000       1.50935000       6.27427000       1.34121262      -0.88552048      -0.50549573
Cr       0.21253000       0.10204000      18.25036000       0.54236203      -1.61197719       2.13279235
Cr       2.93399000       1.70442000      27.87504000      -0.37820593      -0.90740629      -1.90286911
Cr      -0.37048000       3.44872000       8.52181000       1.39026038      -0.01978714       1.56834734
Cr       2.73783000       4.88135000       3.91562000       2.18635548      -0.48250295       0.04898184
Cr       2.93217000       1.88994000      13.38413000      -0.20899998       1.04221164      -0.38223355
Cr       0.24072000       3.40770000      22.98245000       0.92310642      -0.98327864       0.87596820
Cr       0.37209000       1.82299000      20.51598000      -1.51595659      -1.85307060       1.60061979
Cr       1.66196000       4.25641000      20.67045000       4.06076947       2.98465244      -0.93737872
Cr      -1.11866000       4.25253000      20.54121000      -2.82624986       0.32172748       0.85008760
Cr       2.90224000       3.31641000       1.63441000      -0.17786302      -1.98722304       0.79053775
Cr       1.35994000       0.74554000       1.60877000       0.11686022      -1.12376399       0.33862362
Cr       4.32844000       0.66909000       1.62911000      -2.34848295       0.57628267      -0.73404839
Cr       2.76254000       0.24581000      10.96721000      -1.78296763      -0.93555230       2.24711708
Cr       4.27657000       2.77353000      10.97699000      -0.00092389       0.25106785       0.12720466
Cr       1.30117000       2.83097000      11.05056000       1.81287152      -2.41799746      -0.64864209
O        1.66950000       0.84146000      19.46698000      -0.05616752      -0.43931478      -1.26505709
O        4.75153000       0.88547000      19.50280000       0.73153573      -0.34059657      -0.31764485
O        3.16861000       3.58153000      19.46041000       0.49689568       0.77790534      -0.31872633
O        4.27138000       2.29046000       0.47997000       0.49345516       1.08784738       0.73820113
O        1.57060000       2.32831000       0.47780000      -0.88925841       1.14302562       0.33938644
O        2.66951000       0.04060000       0.23840000       0.92306013       0.92662101       2.10980690
O        0.93257000       4.33708000       9.90349000       0.27295017      -1.02489770      -2.06841170
O       -1.62527000       4.39629000       9.75190000       0.12917815      -0.04029792       0.42657725
O       -0.13909000       1.97606000       9.86055000      -0.50562439       0.16105609       0.06737867
O        1.52042000       1.20148000      12.17173000      -0.88186580      -0.15338385       1.13181992
O        4.21874000       1.25133000      12.18708000       0.88138605      -2.16000966      -0.48347663
O        2.89919000       3.52500000      12.11410000      -1.16511549       0.18503033       1.04201000
O       -1.01859000       2.57146000      21.78520000      -0.42753128       0.37113070      -1.09130974
O        1.72875000       2.65483000      21.67200000      -0.85178523      -0.08519163       0.81807275
O        0.20634000       4.90540000      21.77961000       0.44693284       0.96146023      -0.26259692
O        1.36537000       4.20051000       2.78545000      -0.02998959      -1.50364241      -0.28493792
O       -1.65915000       4.09045000       2.88301000      -0.42297168       0.70841344      -1.01675805
O       -0.17938000       1.33551000       2.71163000       0.91219229       0.88251857       1.22724736
O        1.15927000       0.61028000       5.06780000      -0.16308027      -0.51076642       1.22015953
O        4.48460000       0.48815000       5.20757000      -0.49288828       0.86714759      -0.23212510
O        2.82818000       3.27893000       5.23241000      -1.17368582      -0.97188515      -1.02494577
O        4.48828000       2.36714000      14.63170000      -0.69925359       1.81640730      -0.08348370
O        1.58605000       2.55131000      14.69002000      -0.17326420       1.20941746       0.18076122
O        2.96617000       0.33445000      14.62652000      -0.84328694      -1.48872962      -0.50141864
O        1.52602000       4.36716000      24.25113000      -0.40153202      -1.35325590       0.31300019
O       -1.07440000       4.05597000      24.23528000      -2.00377572       1.61965386      -1.32968471
O        0.29011000       1.92455000      24.27611000      -0.91110340      -1.23595716      -0.06474178
O        0.40616000       0.12932000      21.61329000      -0.72831268      -0.78147900      -0.03441806
O        2.83529000       1.50158000       2.72686000       0.00783038       0.60301544      -1.76132379
O       -0.14059000       3.58614000      11.92148000      -0.79083905       1.23723308       2.29059716
O        2.77944000       4.84969000       7.25763000       1.57111972       0.95519331       1.69086838
O        2.88388000       1.77964000      16.71860000       1.14624506      -0.01880072       2.15714930
O        0.20937000       3.42942000      26.42083000      -0.61516000       0.31554022       1.05995062
O        2.73721000       4.93079000       0.55458000       1.12306483       0.26490404      -0.14765774
O        2.83089000       1.84241000      10.07229000      -0.66497073       1.85128318      -2.44459940
O        0.37876000       3.55287000      19.46241000      -0.97203895      -1.08285638      -0.31257300
O       -0.06859000       1.52136000      17.06442000       0.99282111       1.80461658      -1.96184333
O        1.91164000       4.50978000      16.99428000      -2.46297315      -2.70657892      -0.43177663
O       -1.41591000       4.36719000      16.90838000       0.00766997       0.00145754      -0.29796291
O        3.16590000       3.30138000      26.54202000      -1.04821148      -0.01783211       0.62926157
O        1.63416000       0.87598000      26.59747000      -0.63000544       0.23657016      -0.86218357
O        4.16737000       1.02016000      26.53003000       2.07644059      -0.59822209       0.06726107
O       -0.03400000       5.01744000       7.27399000      -1.96290426      -1.09650413       0.45738688
O        4.42315000       2.32491000       7.35091000      -1.48817337       1.81123874       0.50432817
O        0.99668000       2.50579000       7.42198000       1.46824544       0.03788490       0.83188724
Zn       2.79606000       5.09841000      27.21138000       0.47519817       0.40087870      -0.40162138
Zn       2.69484000       1.68525000       8.08711000      -0.31477461      -0.13133045      -0.04772579
Zn       0.32958000       3.33176000      17.52169000      -0.45751140       1.13239699       0.14366276
Zn       0.14035000       0.01809000      23.60079000       1.16257797       0.51441936      -0.50811824
Zn       2.90122000       1.16816000       4.58085000      -0.99046891       1.49550482      -0.17751184
Zn       0.22844000       3.68034000      13.80651000      -0.84207813      -0.63424987       0.63033347
Zn      -0.11390000       0.51040000      13.57117000       0.39355205      -0.43594892      -1.53031853
Zn       3.04332000       1.58932000      22.61723000       0.94824750       0.44603722       0.93057827
Zn      -0.02812000       3.14557000       4.13140000      -0.44339596       0.16597220      -1.98390234
Zn       5.38633000       0.09106000       9.53145000       3.17964140       1.13632240      -1.24361046
Zn       3.21511000       1.80159000      18.70394000       0.06747051      -0.21167013       0.79898150
Zn      -0.02785000       3.36709000      28.46970000       0.03232431      -1.22869002      -0.35623831
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.8528939 magmom=72.0026655 free_energy=-550.8528939 stress="-0.031578229274583605 0.005482885317358889 0.011269783996089128 0.005482885317358889 -0.04867685514663079 0.004568139251929347 0.011269783996089128 0.004568139251929347 -0.04222052049181918" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39266000       0.96876000      15.81271000       3.32107550      -1.85696872      -2.60461970
Cr       4.45669000       0.83873000      15.87091000      -0.99110294       0.26329914      -1.18889389
Cr       3.04745000       3.45111000      15.74293000       0.61797148       0.60517804       0.73630611
Cr      -1.38646000       2.65162000      25.46279000       0.13635955       0.45607385      -1.03753605
Cr       1.60354000       2.56768000      25.45491000       1.10143332      -0.70936288       0.33163209
Cr       3.07563000       0.07580000      25.31200000       0.05723010      -0.52682988      -0.68656530
Cr       1.30550000       4.03854000       6.38301000      -0.11342101      -0.14802135       0.49578329
Cr      -1.70315000       3.99491000       6.18757000       1.33981822      -1.05800351       2.13748953
Cr      -0.17242000       1.41285000       6.37596000       0.24868236       1.12960277       0.85349290
Cr       0.24315000       0.01259000      18.34243000       0.27870538       1.98094982      -4.40538016
Cr       2.87355000       1.60908000      27.82072000       0.86301224       0.72673947       0.58497315
Cr      -0.40507000       3.49732000       8.59633000       0.67872738      -0.52204134      -0.68083577
Cr       2.82641000       4.82416000       3.98742000      -1.61534889       0.19870031      -0.73253638
Cr       2.95156000       1.97139000      13.35081000       0.49527310      -0.84644076       0.03919350
Cr       0.31918000       3.30913000      22.99481000      -1.67039053       2.11282575      -1.03853642
Cr       0.41132000       1.69967000      20.50066000      -0.60931924       1.63657760       0.86794862
Cr       1.76741000       4.24077000      20.62888000      -0.55154966       2.09318691      -0.90570320
Cr      -1.18281000       4.26620000      20.50481000       1.21392864      -0.20416036       0.62766938
Cr       2.86220000       3.29829000       1.61212000      -0.65735502      -0.83960798       1.10825505
Cr       1.34565000       0.62844000       1.60800000      -2.87104984       1.55035021       1.84960999
Cr       4.16730000       0.63935000       1.66039000       2.05472926       0.64250800       0.74808564
Cr       2.67793000       0.19232000      10.89936000       1.73504410       0.67721969       1.57497789
Cr       4.26378000       2.81401000      11.00138000       0.63300801      -0.29784791       0.53514819
Cr       1.36471000       2.68839000      11.00084000      -1.67289312       1.87501250      -0.80474449
O        1.78308000       0.92705000      19.35426000      -1.07473919      -1.48809177      -0.09546140
O        4.85702000       0.87023000      19.49843000      -0.61869531      -0.26359209      -0.64703721
O        3.20286000       3.63914000      19.37438000       0.29419789      -1.71646133       1.44658835
O        4.19347000       2.29512000       0.64523000       0.77887939       0.35447400      -2.04097601
O        1.54096000       2.40739000       0.51873000      -0.48107579      -1.18796944      -1.48030864
O        2.66931000       0.06809000       0.42691000       1.62714059      -0.79980757      -1.28109064
O        0.96914000       4.28993000       9.66692000       0.96176438       0.80181520       1.58794686
O       -1.62170000       4.42164000       9.88808000      -0.57831705       0.16898477      -0.34978103
O       -0.18158000       2.06486000       9.74977000      -0.24710105      -1.00644849       2.77298454
O        1.50456000       1.26074000      12.30589000      -0.45448793      -1.43429971      -1.07855532
O        4.34176000       1.28066000      12.21648000      -0.25983912      -1.27425086      -0.81451682
O        2.75529000       3.53866000      12.04865000       0.60612944       0.12202216       1.09072033
O       -0.90158000       2.61147000      21.54696000      -1.28883730       0.05641984       1.96294331
O        1.75863000       2.74592000      21.80461000      -0.57785736      -1.02112536      -0.29473458
O        0.21525000       5.00041000      21.65781000       0.98357777      -0.71483574       0.83619553
O        1.39362000       4.08609000       2.69277000      -0.32417040       0.08202078       1.21113736
O       -1.78044000       4.11300000       2.89423000       1.97034218      -0.39437553      -1.58435583
O       -0.10140000       1.30688000       2.85218000      -0.66332160       0.43509413       0.02218353
O        1.16625000       0.46070000       5.26205000       0.20176450       2.06544343      -1.28454027
O        4.47441000       0.45233000       5.21913000      -0.71753799       0.75571625       0.20593264
O        2.68463000       3.16661000       5.23652000       0.16763877       0.15024660      -0.30831993
O        4.42381000       2.45425000      14.66431000       0.05448547       0.98676441       0.06191056
O        1.63790000       2.55536000      14.58666000      -1.12150520       1.47354794       1.39320923
O        2.91684000       0.31313000      14.54188000       0.35824151       0.38697584       1.22617488
O        1.55766000       4.17233000      24.41746000       0.48308128       0.67835269      -1.77339503
O       -1.16173000       4.29516000      24.09296000       0.63125375      -1.62574405       0.65637480
O        0.24424000       1.83962000      24.23929000      -0.90315135       0.63708548       0.44084402
O        0.33350000       0.04401000      21.49132000      -0.18948868      -0.45954325       1.90319752
O        2.68426000       1.52540000       2.58198000       1.33310779       0.07648287       1.97256409
O       -0.07821000       3.69096000      11.92632000      -0.57692641      -0.70942002       0.52088631
O        2.95687000       4.88839000       7.54598000      -1.48342675      -0.04756320      -2.02608075
O        2.93405000       1.77000000      16.81539000       0.29557743       0.02108033      -1.66251806
O        0.16856000       3.43787000      26.37197000      -0.79429126       0.30768428       1.49212944
O        2.76568000       5.02474000       0.60720000      -0.09484720      -0.31637435      -0.70493700
O        2.84759000       1.92744000       9.95644000      -0.12901547      -0.42105917       1.31750280
O        0.28070000       3.42550000      19.51278000       0.78316640      -0.04729074      -0.73486026
O        0.07181000       1.58740000      16.85161000      -2.20004722      -0.17974931       2.25200657
O        1.72252000       4.28019000      17.02712000       3.35231696       3.07137734      -1.51064490
O       -1.45491000       4.43227000      16.91027000      -0.48356628      -0.69024227      -0.26765726
O        3.17127000       3.32328000      26.88804000      -0.55541053      -1.72555501      -2.47714843
O        1.63275000       0.79447000      26.35113000      -0.10492380       1.34054108       1.44095539
O        4.36423000       1.00255000      26.41392000      -0.00757324      -0.25033595       1.62834348
O       -0.22921000       4.86466000       7.34767000      -0.02049814       1.46007768      -1.38996076
O        4.34076000       2.47855000       7.31718000      -0.48948342      -1.26195680       0.88001665
O        1.02528000       2.51926000       7.54129000      -0.65131987      -0.06965931      -0.95925261
Zn       0.00011000       0.04147000      27.26187000      -0.08809833       0.66579372       0.12954861
Zn       2.59258000       1.76071000       8.17343000       1.14622750      -1.02574419      -2.24211944
Zn       0.40543000       3.29300000      17.51583000      -3.59196092      -0.49966738       1.67387445
Zn       0.14218000       0.04047000      23.63148000      -0.17369535      -0.57149249      -0.85747828
Zn       2.84554000       1.21412000       4.58936000      -0.48780380       1.16369221      -0.54756780
Zn       0.19543000       3.71985000      13.80508000      -0.45237258      -1.15468711       0.63633031
Zn      -0.23448000       0.47923000      13.52853000       0.68669582      -0.22254762      -1.23435973
Zn       3.01002000       1.57807000      22.59888000       1.39360052      -0.00813941       0.91893962
Zn       0.02920000       3.16542000       4.11856000      -0.24890137      -0.43259518      -1.71097613
Zn       5.48880000       0.25687000       9.44570000       0.33301570      -1.12120328      -0.47730316
Zn       3.31842000       1.88927000      18.59167000       0.51519841      -0.91805844       2.16581958
Zn       0.03494000       3.39628000      28.53116000      -0.84568460      -1.14074594      -0.41653753
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.71505773 magmom=72.0008766 free_energy=-550.71505773 stress="-0.036632139664286384 9.119974546067224e-06 -0.004694116854760187 9.119974546067224e-06 -0.04222241103245039 -0.0024873200234379555 -0.004694116854760187 -0.0024873200234379555 -0.04395957636982142" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45648000       0.89147000      15.70270000      -0.23513720       1.50439331       0.45572023
Cr       4.50933000       0.87224000      15.84352000      -1.13016167       1.27622142      -2.83704921
Cr       3.07291000       3.51726000      15.72261000      -0.57351831       0.39011798       0.03629496
Cr      -1.46130000       2.66881000      25.45046000       2.73861380      -0.89808012      -1.38870793
Cr       1.65511000       2.57734000      25.44570000      -2.26521830       0.43318538      -1.10892153
Cr       3.14656000       0.08634000      25.33631000      -0.01119429      -1.44149772      -0.58443794
Cr       1.22351000       3.98062000       6.40260000       0.19238743       2.58673684      -1.96672201
Cr      -1.66999000       3.96894000       6.30180000      -1.89371922      -0.10456940      -1.99930215
Cr      -0.16057000       1.38998000       6.50431000      -2.44152655       1.61015701      -2.66499961
Cr       0.31574000       0.02182000      18.29186000      -1.37754327      -0.62507610      -4.61705221
Cr       2.85400000       1.55092000      27.78227000       2.43367594      -0.46189352       1.15376318
Cr      -0.37776000       3.51407000       8.65849000      -0.02821014      -0.38848263       0.84380904
Cr       2.85282000       4.77588000       3.99664000      -1.33804134       0.33477615       0.70330975
Cr       2.97334000       1.99927000      13.33004000      -1.11057833      -1.45388563       1.32789246
Cr       0.28903000       3.33122000      22.95479000      -1.30606754       1.48468446       0.23665821
Cr       0.37598000       1.61877000      20.50399000      -0.11605273       2.96168212       2.30632472
Cr       1.86211000       4.36177000      20.50772000      -3.55723455      -3.10756174       2.02879100
Cr      -1.20026000       4.28370000      20.48377000       3.36376848      -1.49593110       2.46637333
Cr       2.78915000       3.19907000       1.61786000       0.29663017       0.25066478      -1.09774964
Cr       1.21239000       0.61625000       1.69199000       1.81432707       2.38213817      -1.13624033
Cr       4.13109000       0.66791000       1.71043000       3.56854025       0.33723476       0.09689534
Cr       2.68551000       0.16631000      10.95370000       2.67076978       1.42184883       1.29650354
Cr      -1.63425000       2.83468000      11.07813000      -1.70863747      -0.36452954       1.45819385
Cr       1.35165000       2.65290000      10.93725000      -1.21056427       2.81686889       2.55465727
O        1.73005000       0.74588000      19.24588000       0.70582621       0.83716075       1.31613117
O        4.85439000       0.83006000      19.40057000      -0.07126414       0.04657414      -0.05895986
O        3.27694000       3.48089000      19.49323000      -0.34412996       1.60096635      -0.90162791
O        4.22723000       2.36836000       0.49905000      -0.73758522      -0.74236714       0.31967803
O        1.48275000       2.24634000       0.35558000       0.22247036      -0.28930774       1.04996141
O        2.87461000       0.03983000       0.48851000      -1.73135468      -0.01417917      -0.43113624
O        1.09937000       4.32169000       9.67299000      -0.44574641       0.15969223       0.76452017
O       -1.63380000       4.42963000       9.95714000      -0.27009416       0.14520073      -1.39442819
O       -0.26863000       2.08638000      10.07559000       1.03889326      -0.80736786      -2.69407188
O        1.48716000       1.12459000      12.20922000       0.14778519       0.20155756       0.06219336
O        4.34826000       1.10151000      12.06878000      -1.64411138       0.23641458       0.72463324
O        2.70592000       3.47889000      12.15248000       0.57020505       0.54556932      -0.09125681
O       -0.95896000       2.68842000      21.62500000      -1.06680067      -1.31992855      -0.07362734
O        1.62656000       2.65233000      21.81735000       1.26482394      -1.14038443      -1.79360185
O        0.39791000       4.90818000      21.66681000      -0.88855301       1.11459614       0.02414763
O        1.43555000       4.01425000       2.81334000      -0.45137991       0.79579048      -0.15747643
O       -1.70279000       4.12811000       2.64116000      -0.17962614      -1.12902893       1.99267779
O       -0.13611000       1.28768000       2.99157000      -0.47642999       0.76955529      -1.02267113
O        1.12449000       0.56751000       5.29054000       0.25054464      -0.63697416      -0.44293548
O        4.39144000       0.53843000       5.30490000       0.38772199      -0.74877107      -0.31470457
O        2.56720000       3.15741000       5.21670000       1.16608946       0.86773388       0.62365090
O       -1.55983000       2.71075000      14.66192000       1.60406538      -1.39443652      -1.98276709
O        1.56822000       2.78083000      14.72468000       0.25944675      -1.52311986      -0.80947165
O        2.93002000       0.37488000      14.66006000       1.15343579      -0.62931504      -1.43771695
O        1.58987000       4.09165000      24.27173000      -0.08347769       1.41622040       0.18377281
O       -1.12335000       4.23369000      24.09688000      -0.24924838       0.22585867       0.99153314
O        0.03878000       1.93074000      24.28960000       0.65311829      -0.78435778      -0.04860794
O       -2.68324000       5.02420000      21.64239000       1.14608086       1.23805547      -0.70370191
O        2.74789000       1.54195000       2.66973000      -0.59580424      -0.27450883       0.24894072
O       -0.17409000       3.69348000      12.00215000       0.66067595      -0.76162395       0.02706881
O        2.85162000       4.92025000       7.43373000      -0.87206359      -1.69968941       0.62979996
O        3.04844000       1.77325000      16.64861000      -0.91688374       0.32000658       2.13922167
O       -0.02125000       3.50851000      26.52075000       0.98239034       0.08866925      -0.58972510
O        2.77755000       5.02004000       0.60733000      -0.86914945      -1.01458130      -0.14073205
O        2.83773000       1.96907000      10.03041000       0.09565773      -1.41687983      -1.07919434
O        0.30255000       3.28907000      19.48388000       0.48142277       1.20550089      -0.26654645
O       -0.04600000       1.55941000      16.92067000       2.04129254       0.18825143       0.76749926
O        1.94316000       4.47350000      16.86124000      -3.12167517      -1.54513901       2.58064220
O       -1.55845000       4.38791000      16.82896000       2.53442316      -0.02217656       0.72449268
O        3.08041000       3.04160000      26.66956000      -1.22244305       3.12375721       0.07432914
O        1.64220000       0.92113000      26.31988000       0.32094613      -1.42496392       1.46287783
O        4.52690000       0.97348000      26.53676000      -1.94682915      -0.05324170      -0.24033542
O       -0.40134000       4.86681000       7.25206000       2.20155853       1.00284075       1.82094062
O        4.19249000       2.47159000       7.47302000       1.48034250      -0.74493852       0.43009799
O        0.92555000       2.52874000       7.52013000       0.71141588      -0.75875908       1.69057617
Zn       0.15189000       0.13698000      27.31834000      -0.22478480      -0.81523627      -0.16977846
Zn       2.54692000       1.78271000       8.15593000       0.66192549      -0.91312546      -0.46998797
Zn       0.33825000       3.27169000      17.57369000      -0.00470863       1.73015835      -0.54149240
Zn       0.14467000       0.04201000      23.61881000       0.23841350       0.27282104       0.20275908
Zn       2.76674000       1.32306000       4.57198000       0.33541148       0.14500872       0.41103125
Zn       0.13137000       3.70189000      13.85097000      -0.71381724      -0.23524814       0.99077963
Zn       5.58928000       0.43047000      13.43468000       1.15859538      -0.59053243      -0.75491925
Zn       3.05306000       1.56818000      22.63792000       0.76523789       0.23033896       0.31063407
Zn       0.06884000       3.16432000       4.02627000      -0.55710669      -0.49126639      -0.60119124
Zn       5.62477000       0.36692000       9.32808000      -0.34012219      -1.49106341       0.24865769
Zn       3.44182000       1.91829000      18.57395000      -0.70852340      -1.94116804      -0.29198857
Zn       0.04459000       3.36021000      28.56188000      -1.28181109      -0.60382128      -0.87259827
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.51920684 magmom=72.0168055 free_energy=-551.52067425 stress="-0.03758865404609954 -0.008900491134915955 -0.012042848503410145 -0.008900491134915955 -0.024266012120803006 -0.006089576051314704 -0.012042848503410145 -0.006089576051314704 -0.038074180947379355" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54658000       0.87118000      15.62372000      -0.10012818       1.76832015       1.99967032
Cr       4.52005000       0.97266000      15.69402000       1.12762737       0.60083427       1.85049453
Cr       3.08308000       3.61548000      15.72862000      -0.70330948      -1.00205601       0.14539386
Cr      -1.40451000       2.63449000      25.39541000      -1.02353989      -0.14540874       1.07890835
Cr       1.57627000       2.56449000      25.41066000      -1.44664587       0.07960274      -1.33223082
Cr       3.21104000       0.03018000      25.36863000      -1.28879371      -0.12299957      -0.54421437
Cr       1.12766000       4.04287000       6.32285000      -0.57487974      -0.72865752       0.67460890
Cr      -1.69908000       3.93949000       6.35766000      -0.11197409       1.42807537       0.32863664
Cr      -0.28248000       1.45339000       6.50905000       0.16908141      -0.59550510      -1.32438005
Cr       0.34232000       0.01939000      18.13125000       0.05283854      -1.29931697       2.15851007
Cr       2.96541000       1.48614000      27.78486000      -0.24673710       1.09882704       0.16355433
Cr      -0.33418000       3.51234000       8.77446000       0.86805816       0.19690264      -0.04736561
Cr       2.79517000       4.76795000       4.03715000       0.40912258       1.36979044      -0.27699378
Cr       2.92040000       1.93780000      13.37747000      -2.01431577      -0.60933691      -0.06332555
Cr       0.17583000       3.43474000      22.90775000       1.05273140      -1.34383667       1.03553948
Cr       0.31300000       1.66824000      20.56453000      -0.32444984      -0.83277565      -0.74009815
Cr       1.80086000       4.34376000      20.44165000       0.85225123      -2.45996818       2.41157602
Cr      -1.06702000       4.22886000      20.54730000      -1.17892031       0.50079086       0.38662845
Cr       2.73364000       3.09626000       1.56412000       0.79553664       1.93846865       0.40162036
Cr       1.15697000       0.71009000       1.73422000       2.50483970      -2.69449690      -1.07612129
Cr       4.28090000       0.71843000       1.74747000      -1.60958926      -1.19962205      -1.64380162
Cr       2.83814000       0.19931000      11.07937000      -2.73474109      -2.12022053      -2.79892763
Cr       4.18680000       2.82086000      11.20652000       0.70159389      -0.55827882      -3.36659187
Cr       1.27783000       2.77555000      11.01361000       1.59433671      -1.14712209       0.75962296
O        1.78504000       0.69041000      19.34276000      -0.63784335       0.60463607      -0.34822725
O        4.83290000       0.78278000      19.33215000       1.35772277      -0.01944051       0.19260491
O        3.32156000       3.53374000      19.50050000       0.15395474       0.39130357      -1.80879470
O        4.14764000       2.30501000       0.40205000       1.03914242       0.29528349       1.64863315
O        1.45530000       2.01045000       0.35640000      -1.08906296       2.50787964       0.25823141
O        2.84576000       0.02561000       0.50303000      -0.20241062      -0.53312934       0.47689110
O        1.13261000       4.37568000       9.87764000       0.31332517       0.01452245      -0.56076588
O       -1.61133000       4.41102000       9.84193000      -0.06711054       0.05146477       1.44101501
O       -0.22771000       2.05363000      10.05782000      -0.53802497       0.05792222      -0.08784183
O        1.50217000       1.06485000      12.10700000      -1.50988833       0.98479909       2.32873250
O        4.05850000       1.02128000      12.08281000       3.63498673       1.66309569       2.94444495
O        2.76640000       3.44815000      12.26129000      -1.07566181       1.70072134       0.08702881
O       -1.14277000       2.58814000      21.76419000       0.47883880      -0.10087166      -0.77923290
O        1.61841000       2.42903000      21.55862000       1.25731167       2.24000026       2.34388434
O        0.43951000       4.91733000      21.68352000      -1.04353724       0.71652285       0.03079272
O        1.44936000       4.12305000       2.87661000      -0.79957558      -0.92172384      -1.16836121
O       -1.71960000       4.03949000       2.65223000      -0.80887859       0.27000408       1.28244167
O       -0.24132000       1.32497000       2.92783000       0.80883050       0.78795407       0.34334003
O        1.06520000       0.59999000       5.23666000       0.71269248      -0.53463247       0.87501173
O        4.38681000       0.50357000       5.32142000      -1.08307975       1.15649911      -1.69510583
O        2.67230000       3.32773000       5.32453000       0.27140391      -2.08593016      -0.70033058
O       -1.51357000       2.73975000      14.40032000      -1.09808635      -1.18283387       1.93883963
O        1.59928000       2.72985000      14.75620000      -0.01959296      -0.61692090      -0.77556445
O        3.11031000       0.39037000      14.57868000      -0.76988910      -1.01938663      -0.66272867
O        1.52261000       4.24199000      24.13608000       0.04723059      -0.78909980       0.98292882
O       -1.06102000       4.17100000      24.29970000      -1.54201920       1.50917942      -1.78166130
O       -0.01872000       1.95530000      24.31172000       1.78646666      -1.48169151      -1.10351201
O       -2.56442000       5.09996000      21.61700000      -0.44864211      -0.13230769      -0.36221686
O        2.76449000       1.51168000       2.70725000      -0.56764723      -0.10900854      -0.39614880
O       -0.16217000       3.57261000      12.03245000       0.28437297       0.59814230       1.26159275
O        2.57999000       4.73287000       7.30106000       1.79415342       1.22218590       2.00631987
O        3.04106000       1.84862000      16.68586000       0.17716810       0.05717011      -0.23983077
O       -0.04963000       3.56170000      26.50952000       1.27184165      -1.28331376       0.22831609
O        2.66749000       4.84165000       0.62721000       0.73470737       0.88484711      -0.32243325
O        2.80541000       1.81699000      10.06957000      -0.34978584       1.52808176      -0.72007739
O        0.41924000       3.36141000      19.49232000      -1.00211517       0.04144525       0.00685789
O        0.08135000       1.50466000      17.05959000       0.49016507       1.37828855      -3.16027240
O        1.73247000       4.50959000      16.98094000       0.58192544      -0.45085997      -1.44054189
O       -1.31377000       4.33887000      16.78645000      -0.60631669       0.39634502      -0.48035296
O        2.91995000       3.32312000      26.40296000       1.56012606       0.16076778       1.97052278
O        1.72663000       0.86754000      26.47782000       0.13383585       0.55016230      -1.41250006
O        4.34494000       0.96367000      26.59915000       1.88370648       0.20534643      -0.30864492
O       -0.26494000       4.94292000       7.37486000      -0.74696608      -0.66320352      -0.07091226
O        4.35599000       2.35304000       7.67115000      -0.98580023       1.03172486      -1.13808366
O        0.88582000       2.47406000       7.66822000       0.97312651       0.28088351      -1.35812663
Zn       0.29124000       0.19225000      27.37536000      -2.34291179      -1.55194725       0.07123190
Zn       2.54223000       1.74916000       8.09637000       1.21400663      -0.74127856       0.64830132
Zn       0.25071000       3.34073000      17.61173000       0.17221318       0.73675523      -0.52387124
Zn       0.16041000       0.05612000      23.60736000       0.84209654       0.20595627      -0.18755004
Zn       2.69658000       1.45581000       4.58516000       0.52628035      -0.19503813       1.00750431
Zn       0.03352000       3.66213000      13.95286000       1.07880875      -0.00955838      -0.14323256
Zn       5.57144000       0.34460000      13.29909000       1.37713447      -0.63437289      -0.99136065
Zn       3.14474000       1.57047000      22.70504000      -0.04182661       0.65911785      -0.12707492
Zn       0.07357000       3.13787000       3.90228000      -1.35862223       0.03312590      -0.10057547
Zn      -0.15300000       0.39186000       9.20885000      -0.77738195      -1.81283374       0.22343439
Zn       3.52945000       1.85292000      18.56207000      -1.86679458      -0.24579723       0.80876030
Zn      -0.01527000       3.28601000      28.54736000      -0.34809671       0.07103570      -0.63244255
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.3618203 magmom=72.0009949 free_energy=-551.36187999 stress="-0.026745384537320047 0.007922940483092089 0.0032488696766782834 0.007922940483092089 -0.034244583423395814 -0.0006209810872806365 0.0032488696766782834 -0.0006209810872806365 -0.037687556413006425" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.61789000       0.93687000      15.68527000       1.64547088      -0.09141773      -0.90802955
Cr       4.58380000       1.08797000      15.62817000       0.03877089      -1.69450931       1.01820180
Cr       3.05023000       3.67205000      15.77619000      -0.33411299      -1.82033881      -2.31630510
Cr      -1.38065000       2.59677000      25.39268000      -1.18408939       0.84188242      -0.39290814
Cr       1.45605000       2.56403000      25.32702000       4.22671469       0.29846975       0.87323870
Cr       0.23922000       5.09395000      25.40724000      -0.87037305       0.84637683      -1.07688056
Cr       1.02201000       4.09251000       6.27343000       2.08425720      -1.22384765       0.51597159
Cr      -1.73859000       3.99141000       6.43022000       0.31175222       1.06636167       0.58170188
Cr      -0.40196000       1.49557000       6.42254000       2.04055068      -0.53678462      -0.32464733
Cr      -2.59989000       5.07305000      18.04114000       0.46914944       2.32146414       0.74560074
Cr       3.07183000       1.48864000      27.80738000      -1.62728517       1.31888997       0.03292745
Cr      -0.23708000       3.51591000       8.87692000       0.79808745      -0.50751717      -1.81388406
Cr       2.74166000       4.82911000       4.05905000      -0.38924133       0.36207287      -0.72490240
Cr       2.75744000       1.85471000      13.42712000       1.62835143       0.89979474      -1.08020434
Cr       0.11859000       3.47112000      22.91749000       1.27846692      -1.29888655       0.68297929
Cr       0.27301000       1.68615000      20.58292000       1.97838126      -0.42903338      -0.77433695
Cr       1.80617000       4.19870000      20.48957000       2.27984305       0.81629341       1.11284733
Cr      -1.02604000       4.21254000      20.60529000      -3.91764333       2.02324418      -1.80792367
Cr       2.72964000       3.10222000       1.52245000      -0.32599955       1.68928933       2.22564867
Cr       1.24312000       0.66437000       1.71541000       0.17272427      -2.15994150      -0.72547152
Cr       4.34124000       0.69949000       1.69015000      -2.36389380      -1.23906766       0.17906344
Cr       2.87672000       0.18286000      11.11238000      -2.20231321       1.07945401       1.31402419
Cr       4.12872000       2.78812000      11.18231000       1.75456206       0.00531524      -0.32891613
Cr       1.28930000       2.83591000      11.15447000       0.17818003      -2.34839093      -0.25623193
O        1.75715000       0.75949000      19.43558000       0.24469833       0.25910633      -1.09679701
O        5.01627000       0.72184000      19.34093000      -1.60292799       0.56883419      -0.43815342
O        3.38456000       3.67798000      19.27607000      -0.17603117      -2.52907789       0.84712831
O        4.21492000       2.27364000       0.58017000       0.14422290       0.41495618      -1.05123732
O        1.29595000       2.15630000       0.44465000       2.06194644      -0.39518652      -0.40360785
O       -0.19828000       5.09968000       0.53536000       0.56759803      -0.22888252      -0.98257091
O        1.15086000       4.39341000       9.99445000       0.80587372       0.16075108      -1.08377074
O       -1.54079000       4.37439000       9.97763000      -0.35673127       0.63528168       0.39809167
O       -0.22540000       2.03385000       9.99513000      -0.04184108      -0.86547004       1.46212691
O        1.35351000       1.18811000      12.32417000       0.17736355      -0.80168906      -1.14053435
O        4.16409000       1.17183000      12.36318000      -0.30944161      -0.19742850      -3.15639492
O        2.70179000       3.58561000      12.30854000       0.28453260      -1.01567008      -0.50917509
O       -1.14867000       2.50873000      21.74944000       0.44234233       0.61514096      -0.27781935
O        1.69894000       2.57612000      21.64099000      -0.75479456       0.69424176       1.20106660
O        0.30793000       4.97627000      21.70547000       1.03814889       0.06885734       0.58204648
O        1.40738000       4.13367000       2.72528000      -0.30196739      -0.76456733       0.54442952
O       -1.92847000       4.02100000       2.88735000       1.67349014       0.08251227      -1.13357976
O       -0.18044000       1.40203000       2.84648000       0.36516432      -0.51720573       0.50764991
O        1.07671000       0.50045000       5.34821000      -0.07369979       0.95724294      -0.42434996
O        4.24901000       0.58778000       5.11941000       0.22675349      -0.26130456       1.15186638
O        2.80706000       3.25555000       5.31949000      -1.66572123       1.27723355      -0.15139217
O        4.24977000       2.55792000      14.47948000       0.91137147       2.15995921       0.81325821
O        1.64199000       2.56468000      14.67311000      -2.05676731       2.32811410       1.39571040
O        3.19448000       0.28763000      14.43737000      -0.92626526       0.27872937       2.01737514
O        1.41953000       4.21608000      24.20083000       1.28401982      -0.29877265      -0.57074284
O       -1.20951000       4.28175000      24.24041000       1.00133996      -1.21921944      -0.05634565
O        0.16812000       1.81611000      24.18561000      -1.58363198       1.46219574       0.12620477
O        0.42162000       0.03893000      21.47943000      -1.17300434      -1.46112881       2.19249595
O        2.69791000       1.46977000       2.59739000       0.82412112       0.41334947       1.61393967
O       -0.12475000       3.56702000      12.16895000      -1.33116954       0.88675836      -0.80307529
O        2.57625000       4.71866000       7.43208000       0.14053984       1.03362061      -1.47952103
O        3.06170000       1.95870000      16.70259000       0.58061159      -0.87720272       0.44577759
O        0.13673000       3.38580000      26.42148000      -0.87381879       0.14154522       1.03173764
O        2.69556000       4.82066000       0.62125000       0.94949801       1.09615617      -0.58241766
O        2.70710000       1.86389000      10.04226000       0.40919598       0.30049882       0.51143005
O        0.34434000       3.43010000      19.56571000      -0.11112085      -1.16679805      -1.59484770
O        0.28369000       1.60304000      16.74563000      -2.01574773       0.55355703       1.86914792
O        1.64403000       4.50025000      16.86546000       1.68179433       0.74654155       0.03702196
O       -1.18390000       4.38340000      16.65942000      -2.05872134      -0.17760706       0.67916871
O        3.01166000       3.58894000      26.45555000       0.45783394      -2.96409855      -0.18699979
O        1.83296000       0.90342000      26.39879000      -1.03864861       0.65372701       1.10666252
O        4.45258000       0.99031000      26.55199000       0.50583043      -0.04604246       0.40879471
O       -0.22089000       4.85786000       7.48431000      -1.14818589       1.15853318      -0.65761245
O        4.41013000       2.47771000       7.62069000      -1.73461678      -0.10627158       0.10608091
O        0.97258000       2.51480000       7.56529000      -0.36863947      -0.13201900      -1.17971886
Zn       0.32310000       0.17383000      27.43274000      -0.71403152      -0.62116235      -0.90149499
Zn       2.59746000       1.67502000       8.06806000       0.82169587      -0.00098447       0.61342394
Zn       0.17452000       3.44228000      17.61416000       0.74729169      -0.41803986      -0.15636306
Zn       0.21370000       0.07273000      23.58532000      -0.76525930      -1.27094312      -1.21868265
Zn       2.65117000       1.56970000       4.64464000      -0.53919192      -1.57245109      -1.08871796
Zn      -0.02688000       3.60825000      14.06452000       0.06674094      -1.43026242       0.48019695
Zn       5.63170000       0.22975000      13.14230000       1.30822072       0.19095356       0.86575072
Zn       3.23317000       1.60636000      22.77585000      -0.43532024       0.57045706      -0.11813844
Zn       0.00879000       3.11618000       3.78741000      -0.98648097       0.73405960       0.08910116
Zn      -0.06915000       0.32631000       9.10722000      -0.41166505      -0.33737774       2.21982494
Zn       3.52435000       1.76029000      18.57666000      -1.20528042      -0.31149495       1.01391432
Zn      -0.09911000       3.21714000      28.50286000      -0.63182770       1.32627100      -0.63892614
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.66219177 magmom=72.0344341 free_energy=-551.66467442 stress="-0.03138884569722964 -0.00039875311604596847 0.005178517294714478 -0.00039875311604596847 -0.04391850733339574 0.007785835954697262 0.005178517294714478 0.007785835954697262 -0.04124982282977026" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.72082000       1.00561000      15.76871000      -1.78862909       0.72668582      -0.25483712
Cr       4.65819000       1.09628000      15.64450000      -1.07328100      -0.55611617      -0.82446934
Cr       3.01429000       3.65102000      15.77916000      -0.76813046      -1.73179318      -3.08197146
Cr      -1.43307000       2.60110000      25.40412000       3.06398320      -1.18320261      -2.54275324
Cr       1.57848000       2.57696000      25.30647000       1.30529958      -0.18789398       0.00545013
Cr       3.11575000       0.00150000      25.42493000       1.02260546      -0.39112482      -1.13842775
Cr       1.01858000       4.08296000       6.25058000       1.19802937       0.68639993      -0.67792025
Cr      -1.76703000       4.10717000       6.50953000      -1.01310840      -0.15532686      -2.44175668
Cr      -0.40676000       1.52307000       6.32307000       0.42533108       1.18166845       0.31929013
Cr      -2.57946000       5.09463000      17.95275000      -1.04164351       2.26791814       3.03852453
Cr       3.07353000       1.56847000      27.85279000      -0.67710954       1.31672272      -1.34783197
Cr      -0.10332000       3.48415000       8.86335000      -1.16372270      -0.66250758      -0.14010246
Cr       2.67945000       4.90818000       4.02585000       0.31791312      -0.29188418      -0.12423241
Cr       2.68589000       1.83501000      13.44161000       3.37382647       1.78771997       1.17175347
Cr       0.14667000       3.43723000      22.97120000       0.89422747       0.49564394      -1.45097075
Cr       0.33387000       1.65668000      20.55520000      -0.17232407       0.62334396      -0.28743860
Cr       1.92654000       4.10525000      20.58819000      -2.54127664       1.52836527      -2.02821067
Cr      -1.18105000       4.31237000      20.55618000       1.66378336      -1.23571171      -0.96715941
Cr       2.72568000       3.19041000       1.57942000       1.18161806      -0.24533994       1.70326710
Cr       1.36031000       0.50854000       1.66993000      -0.00077416       1.93890423       0.90405836
Cr       4.24988000       0.61562000       1.60677000       0.74299524       0.47841955       1.54260713
Cr       2.78834000       0.21330000      11.17287000       0.51846849       1.24058256      -0.00103248
Cr       4.18006000       2.76797000      11.11865000       0.47588845       1.20384262       0.54304960
Cr       1.29435000       2.76959000      11.25835000      -2.41939571       0.69916804      -1.93142169
O        1.70899000       0.82519000      19.33784000       0.18364083      -0.58441779       0.00709449
O        5.00665000       0.73380000      19.30363000      -0.13819697      -0.76482016       0.61763710
O        3.40161000       3.50054000      19.17112000      -0.62325559       1.22295517       1.35509716
O        4.29653000       2.31992000       0.65138000      -1.29957326      -0.38551351      -0.66951662
O        1.49848000       2.26364000       0.46410000      -0.03155657      -0.85973499      -1.17895334
O       -0.18252000       5.05212000       0.40264000       0.88300970       0.36636379      -0.24041964
O        1.20882000       4.40039000       9.98336000      -0.11170829      -0.06788481      -0.26216005
O       -1.49216000       4.42448000      10.16773000      -0.65716073       0.26214808      -3.20556709
O       -0.20927000       1.97501000      10.17254000       0.77920866      -0.06074764      -2.04524072
O        1.29356000       1.21315000      12.36820000       0.61218706      -1.35376909      -0.97047063
O        4.19591000       1.28349000      12.19360000      -1.03534005      -2.70429722       1.54008097
O        2.68772000       3.47899000      12.25853000       0.96469247       0.28022930       0.91807255
O       -1.01146000       2.58220000      21.63480000      -1.38937797      -0.00598294       0.49488571
O        1.64711000       2.84003000      21.93112000       0.83898322      -3.15480683      -0.83125010
O        0.29286000       4.96017000      21.75356000       0.03252630       0.92630162      -0.55316374
O        1.36579000       4.05454000       2.65124000      -0.33681999       0.54972096       0.74617857
O       -1.88847000       4.06357000       2.91309000       1.21368633      -0.32005779      -0.86931809
O       -0.05410000       1.30174000       2.82225000      -1.06048719       0.32847187      -0.60809795
O        1.04266000       0.55541000       5.38235000       0.07956578       0.99913312      -1.60807075
O        4.19995000       0.60888000       5.15440000      -0.20526598       0.15815002       0.10785028
O        2.65648000       3.42865000       5.29731000      -0.37769813      -0.80932913      -0.11039525
O        4.18932000       2.69242000      14.68614000       0.56192388      -0.35821930      -2.49134622
O        1.49792000       2.70401000      14.75629000       1.69446667      -0.38594631      -0.12071121
O        3.08831000       0.31639000      14.63994000       0.14848606      -0.38579286      -0.80255985
O        1.48674000       4.14418000      24.21111000       0.53120439       1.66926213       0.66182912
O       -1.15938000       4.17326000      24.16160000      -1.00670579       0.93490277       1.54316166
O        0.12643000       1.92937000      24.11684000      -0.19873271      -1.73739570       1.27756302
O       -2.68810000       5.00757000      21.61828000       1.08808398       1.15512338      -0.37360643
O        2.74788000       1.48203000       2.67526000       0.48277658      -0.19733967      -0.31053926
O       -0.27534000       3.70124000      12.15197000       0.86722098      -0.90263186       1.27152453
O        2.63141000       4.92572000       7.31533000      -1.30752638       0.55568351       0.86151521
O        3.16766000       1.90793000      16.71997000      -0.19840976      -0.38431903       1.20655514
O        0.16596000       3.25212000      26.42005000      -0.80887160       1.70908803       0.65074322
O        2.86019000       4.97030000       0.60644000      -0.97593398      -1.07955925       0.05776310
O        2.68362000       1.95721000      10.14732000       0.02114416      -0.94038235      -1.57354749
O        0.23227000       3.32636000      19.47006000       1.15489615       0.73373987       1.11132709
O        0.17687000       1.81194000      16.66110000       0.76159745      -0.78271760       2.17523876
O        1.83398000       4.65491000      16.75656000      -1.78382280      -0.50689052       2.33698563
O       -1.38987000       4.40279000      16.61980000       1.75926851       0.14543633       1.59986242
O        3.19175000       3.28585000      26.46541000      -2.20957415       0.63225811       2.46682232
O        1.79560000       1.04343000      26.42752000      -0.12696180      -1.77221621       1.32366333
O        4.65573000       1.00684000      26.50479000      -2.17541465      -0.97779566       0.88708266
O       -0.34229000       4.87368000       7.47135000       0.96385910       0.54025842       0.55809274
O        4.21158000       2.57415000       7.56617000       1.48878046      -1.11778114       0.51433539
O        0.96134000       2.53762000       7.28684000       0.38500802      -1.14971024       2.32166715
Zn       0.30592000       0.11598000      27.43194000      -0.23107080      -0.22908538      -2.28513899
Zn       2.68944000       1.60511000       8.06916000      -0.93981488       0.50960151       1.07046008
Zn       0.13545000       3.51975000      17.60264000       0.53611358       0.13580327      -0.89601527
Zn       0.22975000       0.03805000      23.52099000      -0.65768549       0.00297656       0.75710020
Zn       2.58518000       1.60381000       4.65349000      -0.11839316      -0.26718602      -0.27361738
Zn      -0.07725000       3.50150000      14.18189000      -0.42851665       0.87972304      -0.97717973
Zn       5.74718000       0.13299000      13.04030000      -0.59635013       0.42687888       1.21954575
Zn       3.29536000       1.67023000      22.84607000      -0.24589937       0.07581969      -0.60333628
Zn      -0.10659000       3.13194000       3.69470000      -0.71612118       0.16351048       0.32520680
Zn      -0.01378000       0.23762000       9.11600000      -0.57611757      -0.10244445       2.44771844
Zn       3.45321000       1.65711000      18.64588000      -0.60773140      -0.41932098       0.25206433
Zn      -0.19363000       3.20869000      28.43157000       1.61919056      -0.12992764      -0.81196709
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.42221976 magmom=72.0054211 free_energy=-552.42221976 stress="-0.039657237232855275 -0.008456179240235735 -0.0021857572221041363 -0.008456179240235735 -0.03054388844194025 0.000273771395928236 -0.0021857572221041363 0.000273771395928236 -0.034252490223330066" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.69440000       1.08040000      15.90053000      -0.74801403      -0.43935508      -0.88363975
Cr       4.68563000       1.04769000      15.66115000      -1.96314501       0.17666284       0.05973743
Cr       2.97736000       3.61210000      15.74311000       1.41798533       1.48338481       1.81463724
Cr      -1.36732000       2.54266000      25.34743000       0.45493378      -0.70483392       1.53829563
Cr       1.78390000       2.57137000      25.32364000      -2.54026282      -0.24822189       1.10153782
Cr       3.10125000       0.02196000      25.42865000       0.29697894      -0.37960873       0.51222942
Cr       1.06238000       4.09260000       6.22232000      -1.40830313       0.83397945       1.98089528
Cr      -1.84529000       4.21475000       6.46809000      -0.25281927      -0.45774182      -0.89527272
Cr      -0.37789000       1.63573000       6.25042000      -0.43219084       1.30406667       0.51561994
Cr       0.33696000       0.11407000      17.95976000      -1.74149663      -0.67231324       3.87337173
Cr       3.05493000       1.67547000      27.85322000      -0.20700351      -3.27232522      -0.46333814
Cr      -0.04115000       3.42286000       8.80652000      -1.73059894       0.57594306      -1.90422661
Cr       2.63661000       4.96679000       3.97136000       0.19951265      -0.55250147      -0.33683355
Cr       2.81392000       1.89448000      13.49793000      -0.36671629      -1.74769472      -1.33416467
Cr       0.22427000       3.42569000      22.96342000      -0.28417462       0.69711243       0.20326635
Cr       0.37325000       1.66664000      20.51364000      -1.27194989       0.63280180       1.40500866
Cr       1.90412000       4.10764000      20.60018000      -2.44986132       0.84269494      -0.26342942
Cr      -1.24238000       4.34550000      20.45379000       3.18751726      -2.34393741       1.46904615
Cr       2.77770000       3.23255000       1.69569000       0.38122971      -1.50384792      -1.03953881
Cr       1.46405000       0.47405000       1.64986000      -0.91645262       3.00087853      -1.39364879
Cr       4.18742000       0.57667000       1.56269000       3.09120001       0.85918627       0.74163119
Cr       2.71285000       0.27567000      11.20052000       1.00260348      -2.68190344      -3.41142041
Cr       4.26287000       2.78706000      11.09003000      -1.15613312      -0.94540193       0.08335012
Cr       1.19329000       2.73755000      11.24359000       1.82963968       1.07389512      -0.90632431
O        1.66393000       0.77561000      19.23756000       0.23043852       0.29007074       0.31653131
O        4.98218000       0.64219000      19.38431000      -0.51727512       0.78386929       0.06569523
O        3.29692000       3.51680000      19.30933000       0.08603251      -0.09051263      -0.66042969
O        4.19039000       2.33553000       0.60750000       1.51547112       0.35453248       0.08674609
O        1.70041000       2.22009000       0.37158000      -2.99258011       0.81600361       1.58447697
O       -0.04440000       5.07203000       0.27800000      -0.68905621      -0.64161945       0.90937692
O        1.18404000       4.35795000       9.97135000       0.39219298       0.10047248       0.69016684
O       -1.45145000       4.44522000       9.90406000       0.74419043      -1.61901719       1.00188734
O       -0.10845000       1.97293000      10.06237000      -0.94813054      -0.38336978       0.12392221
O        1.41915000       1.07133000      12.24835000      -1.56115661       0.90340405       1.88752842
O        4.02808000       1.05911000      12.21106000       2.58906368       1.12138500       1.19999188
O        2.80234000       3.34183000      12.29756000      -0.73094097       1.91117958      -0.75219454
O       -1.03218000       2.68545000      21.59931000      -0.35949147      -0.70272604       0.74423748
O        1.67734000       2.60989000      21.96546000       0.17507310      -0.34727297      -1.62905489
O        0.29181000       5.00031000      21.68756000       0.34972754      -0.00966519       0.20206244
O        1.35044000       4.09357000       2.72016000      -0.26544968      -0.33280418       0.46615991
O       -1.67675000       4.08773000       2.77471000      -1.32168790      -0.29388140       1.18853162
O       -0.12159000       1.20359000       2.68922000      -0.07169764       1.91599011       0.00677651
O        0.95725000       0.73249000       5.16359000       0.19441467      -1.09206471       0.74842788
O        4.17655000       0.63406000       5.23205000      -0.53297698       0.73423383      -1.41914034
O        2.51590000       3.52634000       5.26928000       2.29684620      -2.05514259      -0.77064853
O        4.13404000       2.75616000      14.48710000       0.91719601      -1.00011295       1.55254137
O        1.63423000       2.77992000      14.81387000      -2.11942142      -1.06555711      -0.75907621
O        3.01329000       0.35807000      14.71988000       0.61066919      -0.83990779      -0.43886738
O        1.58187000       4.28611000      24.32013000      -0.37483845      -0.84979785      -0.45581187
O       -1.15800000       4.17094000      24.31998000      -0.68375144       0.80714191      -1.50600569
O        0.07002000       1.87390000      24.24293000       1.46162155      -0.24846519      -0.69594879
O       -2.66484000       5.04214000      21.59601000       0.67709317       0.88061925      -0.27373202
O        2.87698000       1.48092000       2.67767000      -0.92021092       0.04186389       0.44006322
O       -0.27806000       3.68632000      12.25371000       0.55691870      -0.82189602      -0.34441566
O        5.45811000       0.04724000       7.28563000       0.53509455      -1.44725705       1.56267415
O        3.21906000       1.79881000      16.81773000      -0.17225045       1.22582726      -0.29361798
O        0.04239000       3.42963000      26.42961000       0.87269351      -0.54178930      -0.39415074
O        2.86267000       4.92375000       0.64848000      -0.05548565      -0.50836887      -1.23218284
O        2.68846000       1.91471000      10.08970000       0.31904819       0.33977926       0.07258716
O        0.33801000       3.34381000      19.55635000       0.12338210       0.81680947      -1.14768422
O        0.10984000       1.80312000      16.90991000       0.92502185      -0.94181537      -0.54434027
O        1.71175000       4.69902000      16.95779000       0.63308392      -1.45019041      -1.22132178
O       -1.33410000       4.39855000      16.74863000      -1.19660686       0.83353499      -0.77407460
O        3.09091000       3.05629000      26.69945000       0.58255724       3.94934025      -2.52851338
O        1.73631000       0.94026000      26.58774000       0.44504928       0.09143468      -1.75720383
O        4.45285000       0.89101000      26.54950000       0.40643211       0.29033840       0.03594013
O       -0.33329000       4.88752000       7.48992000       0.37140587      -0.40999415      -0.62375452
O        4.31096000       2.54226000       7.55081000      -0.03708951       0.87687350      -0.17214298
O        0.99363000       2.44561000       7.38748000       0.98480324       0.64233733       0.49957458
Zn       0.26819000       0.04471000      27.32658000      -1.42272884      -0.72386992      -0.10614915
Zn       2.73264000       1.56919000       8.11736000      -0.32071839       0.79609734       0.31027639
Zn       0.13468000       3.60682000      17.56811000       1.21688939      -0.17957859       1.35351521
Zn       0.20786000       0.00026000      23.49911000       0.22582375       0.30260777       0.94644833
Zn       2.51836000       1.60880000       4.63233000       1.18798512       0.35081795      -0.52181134
Zn      -0.12078000       3.43903000      14.24521000       1.86396606       1.78160403      -0.90050858
Zn       5.83085000       0.06624000      13.01449000      -0.69867758       0.32282425       0.73911033
Zn       3.34053000       1.73773000      22.89565000      -0.30703108      -0.30058077      -0.74343946
Zn      -0.24880000       3.15723000       3.63225000       0.61139994      -0.59445231       0.57655103
Zn       0.00035000       0.15381000       9.24076000      -2.01851922       0.16445265      -0.30017146
Zn       3.35491000       1.54437000      18.74193000       0.60517335       0.80613879       0.70705332
Zn      -0.21486000       3.20292000      28.33322000       1.21853539      -0.29079351       0.48074870
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.35708807 magmom=72.003924 free_energy=-552.35729312 stress="-0.035300616277723185 -0.007392462133223509 -0.002962921527109579 -0.007392462133223509 -0.027648766187763362 -0.006578470820986781 -0.002962921527109579 -0.006578470820986781 -0.02973540348891852" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57497000       1.09479000      16.05881000       2.78852729       0.84203051      -4.80256812
Cr       4.60940000       0.99159000      15.70814000      -1.07575791       0.33919360       0.35360211
Cr       2.99995000       3.67555000      15.83614000       0.46908943      -2.08300195      -1.75600948
Cr      -1.24076000       2.44254000      25.35437000      -0.86636742       1.50674384       0.23069628
Cr       1.84310000       2.55333000      25.41208000      -3.23747968       0.33385889      -1.33506169
Cr       3.10354000       0.02407000      25.45545000      -0.37680396      -0.67181250      -2.37184727
Cr       1.06570000       4.14791000       6.27933000       2.56994389       0.26278149      -1.37042365
Cr      -1.93015000       4.28598000       6.37678000       1.01230008      -0.46046801       0.23643797
Cr      -0.36124000       1.81485000       6.22249000       0.44119609      -2.36009601      -0.22103701
Cr       0.23487000       0.18831000      18.09570000      -1.51243578      -3.53949488       2.39157731
Cr       3.01556000       1.63636000      27.84343000      -1.40784816       0.43228727       0.45555160
Cr      -0.07506000       3.39291000       8.66203000      -0.15538700       0.10096791       0.93265545
Cr       2.60825000       4.99914000       3.89376000       0.51440984       0.03339778       0.73763080
Cr       2.91802000       1.86260000      13.47175000      -1.64720594      -0.58466451       0.40243416
Cr       0.29012000       3.45431000      22.93933000      -0.25027306      -0.56084855       0.83073066
Cr       0.32757000       1.71940000      20.52403000      -0.29601463      -0.55670024       0.24123315
Cr       1.75511000       4.17888000      20.59142000       3.45443667       0.85719317       0.69915667
Cr      -1.12782000       4.24129000      20.42051000      -1.25804419       0.60299991       1.51077670
Cr       2.85206000       3.18062000       1.73916000      -1.25201381       0.43624715      -1.76077828
Cr       1.49448000       0.61135000       1.56381000      -3.18791462      -0.21159454      -0.19743613
Cr       4.28932000       0.60517000       1.53212000       1.33306904      -0.25217168       0.37480609
Cr       2.71445000       0.21500000      11.07924000       1.46999923      -1.32564519       1.28764388
Cr       4.27837000       2.75523000      11.08184000      -0.25164174      -1.78851911       0.65728418
Cr       1.18954000       2.75962000      11.16719000       2.60594991      -1.51984701       0.47965653
O        1.61889000       0.74521000      19.26184000       0.21159098       0.36356362       0.79159411
O        4.89166000       0.68462000      19.50279000      -0.87505541       1.26557513      -0.69944449
O        3.20241000       3.59490000      19.39374000       0.88340463      -0.96501198      -0.92492180
O        4.27303000       2.38454000       0.56250000      -0.68300694      -0.83950092      -0.54692537
O        1.46316000       2.26231000       0.47581000       1.04208207      -0.11822903      -0.71591238
O       -0.03683000       5.03450000       0.35065000      -0.57355904       0.63371883      -0.42424761
O        1.16607000       4.29525000      10.04009000       0.26956393       0.94898647      -1.08895662
O       -1.34342000       4.20213000       9.78707000      -2.26753723       1.91857860       1.38875163
O       -0.14967000       1.96053000       9.95393000      -0.13031814      -0.87002605       0.61457477
O        1.42588000       1.08547000      12.34246000       0.39798575       0.28460945      -0.82736169
O        4.16567000       0.96666000      12.36496000       0.13042741       0.63961151      -2.15946887
O        2.81600000       3.43815000      12.20689000      -0.19397390      -0.61456401      -0.16701594
O       -1.05788000       2.69400000      21.71485000       0.28702688      -0.52038957       0.06005702
O        1.70492000       2.35358000      21.67438000       0.28361693       2.70274611       1.37173799
O        0.34397000       4.97487000      21.66229000      -0.14364855      -0.03715580       1.06734607
O        1.36454000       4.12533000       2.81042000      -0.57738740      -0.90304929      -1.50307700
O       -1.76376000       4.16143000       2.77773000      -0.14415058       0.44303043       0.52595166
O       -0.20135000       1.37574000       2.57871000       0.98390618       0.14551547       1.15199572
O        0.87162000       0.71407000       5.09434000       1.10554745       0.49598722       1.21877611
O        4.14565000       0.73183000       5.10457000       0.80614061      -0.55957345       0.73345718
O        2.70390000       3.37491000       5.17876000      -0.95695279       1.97509530       0.71572344
O        4.24687000       2.61653000      14.60924000       0.09016774       0.32721414       0.98119227
O        1.59557000       2.64671000      14.78936000       0.16024161       0.42268964       0.44995311
O        3.05979000       0.30748000      14.70632000      -0.57287233      -0.12452084       0.46327471
O        1.56450000       4.25207000      24.38255000       0.34416516      -0.41068194      -1.32338636
O       -1.22307000       4.25745000      24.28649000       1.41026275      -1.51128582      -0.64972572
O        0.26363000       1.80839000      24.31475000       0.13743261       0.57325470      -0.85932359
O        0.44332000       0.09079000      21.46867000      -1.21165917      -1.74145186       1.94683628
O        2.85680000       1.46446000       2.63808000      -0.01991085      -0.10885604       0.23369340
O       -0.17379000       3.50528000      12.22064000      -1.03331272       1.14269604      -0.33987849
O        5.42444000       0.05367000       7.45311000       0.62392216      -0.35356131      -1.50308969
O        3.19987000       1.88646000      16.82495000      -0.31952085       0.04867136       1.17753976
O        0.06761000       3.49273000      26.33900000       0.89107367      -2.06372688       1.33976908
O        2.82980000       4.77525000       0.54679000       0.52953170       1.11403751       0.02956101
O        2.75708000       1.89187000      10.07089000      -0.02700103      -0.03833140       0.13173363
O        0.43037000       3.46315000      19.50721000      -1.71918131      -1.10775506      -1.06332390
O        0.13413000       1.71763000      17.03659000      -1.31804994       1.81639525      -0.30351895
O        1.69783000       4.53455000      16.94065000       1.02015467       1.04554706      -0.05764550
O       -1.40599000       4.49983000      16.77926000      -0.11575176      -1.19610168       1.65532201
O        3.01073000       3.35815000      26.62092000       1.70334727      -3.28535952      -0.37360683
O        1.75305000       0.87207000      26.45809000      -0.71369905       1.04995613       1.08043519
O        4.32251000       0.86378000      26.60623000       2.07936566       1.23892767       0.26600301
O       -0.26049000       4.82684000       7.37030000      -1.14394278       2.35527393       0.49427179
O       -1.45663000       2.68970000       7.45115000      -2.37020598      -0.30064084       0.61410811
O        1.14559000       2.48732000       7.52640000       0.12575694       0.16202439      -2.13065048
Zn      -2.78721000       5.05482000      27.20149000      -0.26911324       1.79157386       0.94970301
Zn       2.75535000       1.57086000       8.18633000       0.54497608       0.23637334      -0.73993452
Zn       0.18140000       3.68218000      17.59233000      -0.75692127      -0.96823290       0.02839129
Zn      -2.75764000       5.08944000      23.52231000      -0.01596554       0.48394184      -0.74337388
Zn       2.50261000       1.62244000       4.58527000       0.14110351      -0.86856531      -0.42165290
Zn      -0.07512000       3.47116000      14.25675000       1.28054010       1.31423222      -0.93747720
Zn       5.87056000       0.02295000      13.04828000      -0.62820353       0.91632412       1.22009595
Zn       3.36716000       1.79121000      22.91243000      -0.57156681      -0.34196157      -0.94080211
Zn      -0.36008000       3.15171000       3.61136000       0.98523059      -0.08830854       0.49143609
Zn       5.82369000       0.06939000       9.37258000      -0.55685246      -0.14943423       0.17029439
Zn       3.28266000       1.47453000      18.86697000       0.47344535       2.16315159      -0.65599248
Zn      -0.16148000       3.18133000      28.25202000       1.08357664       0.23413560       0.73042265
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.61593181 magmom=72.0080092 free_energy=-552.61600382 stress="-0.04090143133987242 0.0003701193690517744 -7.266525955288737e-05 0.0003701193690517744 -0.0406213311722792 0.00820669520407472 -7.266525955288737e-05 0.00820669520407472 -0.04144221848453027" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52928000       1.09455000      16.06868000       0.14074715      -0.05472930      -1.19806217
Cr       4.47626000       0.95077000      15.82195000       1.22130159       1.64525657       0.98995346
Cr       3.08372000       3.65186000      15.88615000       0.18031654      -2.13879143      -1.77156367
Cr      -1.15765000       2.41755000      25.38454000      -0.63092792       1.13460872      -2.03554466
Cr       1.73197000       2.54416000      25.46005000       0.95312347       0.15071974      -2.71740902
Cr       0.13993000       5.10346000      25.39789000       0.96846297      -0.32691602      -0.80848216
Cr       1.19030000       4.24345000       6.28084000      -0.17899444       0.98012056      -1.16226447
Cr      -1.93441000       4.32505000       6.31267000       2.90918658      -0.27466614       1.06249543
Cr      -0.33553000       1.87158000       6.19749000      -0.24674436      -1.66950603       0.16235514
Cr       0.11344000       0.08904000      18.27915000       0.59848749       0.34050993      -1.10735425
Cr       2.90615000       1.57982000      27.86968000       0.97688403       0.71423664      -0.98548318
Cr      -0.15656000       3.38421000       8.56136000      -0.79667743       0.77663971       1.85331833
Cr       2.60100000       5.03661000       3.86086000       0.06089237       0.25628006       1.82079040
Cr       2.91401000       1.76357000      13.43912000       0.43237268       1.36393915       1.38802200
Cr       0.34089000       3.44418000      22.95852000       0.60719731      -2.21256281      -0.61036551
Cr       0.27103000       1.71825000      20.55457000       1.20376479       0.01284758       1.39339808
Cr       1.77136000       4.30105000      20.59312000       1.12744761      -1.26621515       0.01536414
Cr      -1.08551000       4.16122000      20.48579000      -2.80061166       1.82505021       1.89279542
Cr       2.86339000       3.14093000       1.65056000      -0.67224827       1.95764455      -0.12717440
Cr       1.35448000       0.75160000       1.45398000      -0.76704999      -2.86536503       3.01141212
Cr       4.45698000       0.64402000       1.48536000      -2.96904786      -0.64064864       0.74634367
Cr       2.80687000       0.06967000      11.00350000      -0.92022393       0.92450658       2.19468993
Cr       4.27282000       2.62412000      11.10629000       1.07048282       0.50549229      -0.80744937
Cr       1.33138000       2.71009000      11.10899000      -1.20341535      -1.06679488      -0.52312385
O        1.55555000       0.75153000      19.45194000       0.19304337      -0.34537067      -0.39915591
O        4.74650000       0.86998000      19.55388000       1.41159276      -1.19568235       0.24869278
O        3.24651000       3.54865000      19.35585000      -0.25287502       0.34083156       0.65064121
O        4.26806000       2.30287000       0.46513000      -0.17378044       0.40857843      -0.29142484
O        1.38084000       2.32317000       0.48339000       2.15251161       0.53805456      -1.80415719
O       -0.14204000       5.08331000       0.39493000       0.64269494       0.01617600      -0.98323508
O        1.14436000       4.30623000       9.94923000      -0.44888931      -1.30131560      -1.36991002
O       -1.51232000       4.20008000       9.93659000       0.62249206       0.57388137      -0.91029054
O       -0.20348000       1.87629000       9.96007000       0.97987296       0.55185214      -0.80320384
O        1.49800000       1.17916000      12.32153000      -0.28114041      -1.77158054      -0.49335326
O        4.28351000       1.04806000      12.17955000      -0.85666689      -1.32499615       0.85058395
O        2.79458000       3.41659000      12.08230000       0.57934237       0.47988347       2.21298159
O       -0.97369000       2.62908000      21.80423000      -1.01596080      -0.41434898      -0.68701159
O        1.69210000       2.61930000      21.56257000       0.58530975      -0.19684436       1.67334432
O        0.37878000       4.89113000      21.78887000      -0.72671849       2.01648568      -0.80022964
O        1.38643000       4.06889000       2.63951000       0.06733157       0.48904742      -0.13356187
O       -1.94680000       4.30505000       2.81588000       2.47713477      -1.49835829      -1.29962951
O       -0.13099000       1.49618000       2.65716000      -0.12481812      -0.62173131      -0.60971014
O        0.92682000       0.75751000       5.23504000       0.57154978       1.08095994      -1.84131666
O        4.27985000       0.73424000       5.10904000      -1.27574721       1.01684608       0.00565521
O        2.71025000       3.54376000       5.18611000      -1.59176593      -1.32015192      -1.29948591
O       -1.46951000       2.58532000      14.95755000      -0.65873617       1.37879878      -3.11117124
O        1.60147000       2.54117000      14.82707000       0.83946171       1.35723239      -0.87786686
O        3.00909000       0.30501000      14.77301000      -0.91184017      -0.27298638      -0.26782350
O        1.56865000       4.12146000      24.24904000       1.35177617       1.71624375       1.13853574
O       -1.01417000       4.07701000      24.13069000      -1.46375769       0.80671603       1.49407842
O        0.44585000       1.87102000      24.22728000      -1.63342594      -1.58720268      -0.37383261
O       -2.57386000       5.10422000      21.59580000      -0.46129283      -0.15033858      -0.10927672
O        2.80241000       1.44055000       2.56224000       0.69829546       0.22199897       0.36979423
O       -0.19123000       3.49739000      12.05938000       0.68706013       0.73942470       1.68568124
O        2.58354000       5.08758000       7.34237000      -0.36627878       1.18213978       1.00715062
O        3.07465000       1.96868000      16.95479000      -0.40753791      -1.23075423       0.48565643
O        0.26153000       3.26569000      26.38194000      -0.61760802       1.72608314       0.33841553
O        2.88338000       4.82730000       0.48898000       0.21524995       0.28907239      -0.77907197
O        2.81991000       1.82489000      10.11683000      -0.73526804      -0.50575417      -1.31263332
O        0.29104000       3.42884000      19.43899000       1.02527386      -0.30439301       1.39575997
O       -0.02848000       1.90063000      17.01742000       0.78028327      -2.68876861       0.19860581
O        1.79136000       4.54295000      16.89417000      -1.28407145      -0.36971873       1.89219526
O       -1.51967000       4.48466000      17.03018000       0.63373463       0.85955833       0.15380837
O        3.25747000       3.18774000      26.39298000      -0.13911213       0.65593779       1.75813108
O        1.69613000       0.93904000      26.44227000       0.10908170      -1.60752698       0.98481304
O        4.49925000       1.04490000      26.65347000      -1.44096147      -1.82256150      -0.13102340
O       -0.31891000       5.05195000       7.28983000       0.28319564      -1.16136449       0.72476846
O        4.25205000       2.77427000       7.41709000       0.54601324      -1.26551843       0.34079073
O        1.21404000       2.63627000       7.29309000      -1.35128276      -0.60425762       1.02124665
Zn       2.98419000       5.01947000      27.11562000       0.89413640      -0.56970392       0.36943455
Zn       2.80355000       1.59300000       8.22083000      -0.14351271       0.86253127      -0.81479668
Zn       0.20412000       3.71103000      17.61294000      -0.55533021      -0.38049832      -1.19115333
Zn      -2.76519000       5.09081000      23.52110000       0.66183827       0.11890605       0.16648737
Zn       2.50803000       1.60581000       4.51883000       0.80403558       0.09905361       0.31327370
Zn       0.03605000       3.56787000      14.21793000      -0.02616032      -0.52437152      -0.83133785
Zn       5.87743000       0.02505000      13.15015000      -0.14709003       0.52412916       0.43106724
Zn       3.36459000       1.82645000      22.89397000      -0.44521650      -0.41145500      -0.80313528
Zn      -0.42018000       3.14377000       3.63006000       0.44249821       1.30283791       0.66031259
Zn       2.75739000       5.09023000       9.50146000       0.79285803       0.77800722      -1.12786295
Zn       3.21188000       1.52666000      18.95952000      -1.80273979       2.43384574      -1.44293711
Zn      -0.05607000       3.17237000      28.21314000      -0.97280884       0.81078383       1.65103132
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.43979987 magmom=72.00308 free_energy=-552.4400268 stress="-0.047817378680601465 -0.0007183145884536428 0.006254512866999888 -0.0007183145884536428 -0.03926967565447576 0.0017018961983345402 0.006254512866999888 0.0017018961983345402 -0.04398962011741771" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47144000       1.08784000      16.03385000      -0.32352179      -1.15174349      -1.16738018
Cr       4.41440000       1.00370000      15.98996000      -0.09650315      -0.13144183      -1.47666879
Cr       3.17143000       3.53352000      15.88129000      -1.66624139       1.72053440       1.36227069
Cr      -1.12191000       2.44029000      25.31457000      -1.21950296      -0.96027914       0.69411821
Cr       1.69934000       2.51201000      25.39457000       2.66103564      -1.21574822      -0.46567290
Cr       0.17675000       5.07124000      25.32087000       0.78337424       0.84765460       1.39176601
Cr       1.29385000       4.37658000       6.23073000      -3.17254091      -0.66057506       0.90849122
Cr      -1.79127000       4.34093000       6.30248000      -0.40362483      -0.29312206      -1.41892437
Cr      -0.32169000       1.82641000       6.17795000      -0.37825452       0.32628713       0.28800052
Cr       0.05266000       0.01175000      18.42117000       1.91504911       1.71412912      -2.83085294
Cr       2.84771000       1.55501000      27.86285000       3.72016392      -0.49547625      -4.11542382
Cr      -0.28416000       3.41039000       8.56841000      -0.67550882       0.22820734      -0.86623448
Cr       2.62148000       5.07511000       3.89500000       1.00245152      -0.30623740      -1.93250564
Cr       2.91889000       1.73255000      13.47937000       0.85344936       1.11278679      -0.66181016
Cr       0.40898000       3.34865000      22.95116000      -1.12135935       1.84437785       0.44232051
Cr       0.29001000       1.69294000      20.63389000       1.03413155       0.93883032       1.78643996
Cr       1.86257000       4.35075000      20.56596000      -4.83750129      -2.47748959       2.40724896
Cr      -1.20036000       4.19055000      20.64860000       1.38167382       0.18021111       1.18722967
Cr       2.84273000       3.19371000       1.50979000       1.58295711       1.42198685       0.69827536
Cr       1.23454000       0.75738000       1.45417000       3.96441429      -0.67391551       1.00328283
Cr       4.42768000       0.65842000       1.43619000      -2.99666223       0.13518790       0.14921293
Cr      -0.09713000       5.08967000      11.03963000      -0.97609995       1.07964732      -0.07281457
Cr       4.32652000       2.53522000      11.08822000       0.27404900       1.89841651      -0.13377496
Cr       1.42118000       2.59791000      11.04327000      -1.79571696       0.51156571       0.49842375
O        1.53377000       0.69192000      19.57303000       0.54572043       0.38410126      -1.00840592
O        4.75912000       0.89761000      19.62146000      -0.80806764       0.39486995      -1.07959039
O        3.26452000       3.54502000      19.44510000      -0.37864759      -0.32127277       0.31544791
O        4.25498000       2.28919000       0.37740000       0.73632864       0.82415467       0.20857746
O        1.63128000       2.42290000       0.26892000      -2.69477714      -0.24881710       1.28834934
O        2.80564000       0.00194000       0.32028000       0.05939696      -0.77344037       0.78322989
O        1.01851000       4.12395000       9.69091000       2.18456803       0.91095211       2.05333580
O       -1.54404000       4.28930000       9.98874000       0.13758737      -1.27739687      -0.23704579
O       -0.10855000       1.92672000       9.87077000      -0.39771655      -1.08493943       0.64185403
O        1.59997000       1.01398000      12.21347000      -0.98658930      -0.31984379       0.86462488
O        4.19693000       0.92940000      12.12396000       1.07177268      -0.57359185       1.32508224
O        2.85729000       3.35935000      12.26894000       0.15045502      -0.42558551      -0.39397770
O       -0.98637000       2.55447000      21.75963000      -0.69896552       0.51431216       0.73670768
O        1.74962000       2.86170000      21.75843000       1.03348647      -3.04009791      -0.61545657
O        0.28943000       5.02226000      21.79454000      -0.03307838      -0.22840921      -0.24287302
O        1.47317000       4.13739000       2.47055000      -0.63658207       0.18532191       1.71983668
O       -1.81150000       4.23860000       2.68272000      -0.14450942       0.12337770       0.38377876
O       -0.10077000       1.43444000       2.65516000      -0.88955833       1.14630490      -0.03951737
O        1.00963000       0.90242000       5.15159000      -0.66493097      -1.66559307      -0.05366067
O        4.25601000       0.87406000       5.14056000      -0.37409707      -0.15695980      -0.96400013
O        2.51200000       3.58130000       5.04928000       1.73636359      -1.08864608       0.67499285
O       -1.47330000       2.67702000      14.78749000       0.16957174      -1.34101538      -0.61942119
O        1.79309000       2.63868000      14.76388000      -1.50399676       0.58877197       0.42406874
O        2.85171000       0.33416000      14.82706000       1.00386805      -0.75898874       0.27303564
O        1.69188000       4.20558000      24.28697000      -0.94700211      -0.70004830       0.36636439
O       -0.96652000       4.00453000      24.21627000      -1.37521613       1.00439811      -0.99023740
O        0.36785000       1.75024000      24.11404000       0.11881602       0.83526401       0.83744797
O       -2.71526000       4.98762000      21.65661000       1.91419805       1.74165378       0.16234236
O        2.84470000       1.49011000       2.49987000      -0.15686521       0.18539288       0.29205122
O       -0.11684000       3.56409000      12.14613000       0.52100322      -1.99169879       0.25894435
O        5.62145000       0.07716000       7.29877000       0.07919556       0.37164306       0.91389840
O        2.88407000       1.84717000      17.05906000       1.31219521       0.52670833      -0.65196014
O        0.33849000       3.31976000      26.40786000      -0.98447996       0.68691927      -0.68898012
O        2.92611000       4.96034000       0.39699000      -0.88025782      -0.69895090      -0.33482922
O        2.78792000       1.69024000      10.04178000       0.88047668       0.55025271       0.45691728
O        0.28758000       3.35485000      19.64811000       0.32096644       0.93812016      -1.69676152
O       -0.05821000       1.65429000      17.00181000       0.65840722       1.39706022       1.72668890
O        1.70171000       4.54122000      17.09862000       1.01807083      -0.51848409      -1.21170797
O       -1.52114000       4.54439000      17.20770000       0.08193579      -0.48976024      -2.00832650
O        3.37614000       3.02959000      26.44844000      -2.71128713       1.95886988       0.50358201
O        1.65268000       0.78077000      26.52425000       0.36907737       0.44354306      -1.55066095
O        4.41922000       0.96279000      26.59916000      -0.65116299      -1.25390766      -1.18121677
O       -0.34802000       5.04822000       7.33599000       0.79224763      -0.35354444       0.57946974
O        4.20295000       2.68436000       7.39686000       0.48070705       0.34915524      -0.35985536
O        0.98073000       2.73855000       7.20368000       1.18958402      -0.30444259       1.79704142
Zn       2.90477000       4.98295000      27.05688000       1.18684418      -1.05445231      -0.09610808
Zn       2.83963000       1.65093000       8.20320000      -1.12395310       0.07555236      -1.85060482
Zn       0.18273000       3.70101000      17.59060000      -1.70633637      -1.92895785       1.43629400
Zn      -2.73828000       5.09928000      23.53211000       1.05331246      -0.94842708       0.52731020
Zn       2.55960000       1.59631000       4.45699000       1.10357531       0.92191488      -0.84009727
Zn       0.15021000       3.64368000      14.13443000      -0.06643580      -0.57377748      -0.39386158
Zn      -0.02662000       0.05496000      13.28062000       0.07352773       0.10736884      -0.17218974
Zn       3.33720000       1.83709000      22.85129000      -0.41628344      -0.66972009      -0.12469106
Zn      -0.45031000       3.19482000       3.68195000       0.55749046       0.54855574      -0.04330130
Zn       2.67703000       5.04424000       9.56918000       0.37867456       0.95854415      -1.38574309
Zn       3.07401000       1.69336000      18.98995000       0.14272749      -0.15579818       0.38508556
Zn      -0.00198000       3.20569000      28.25784000      -1.34106685       0.67969015       1.22370415
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.7755041 magmom=72.0010686 free_energy=-552.7755041 stress="-0.034941637247238505 -0.005240713733425613 -0.005887579719700277 -0.005240713733425613 -0.03662448386664163 -0.003887537571787791 -0.005887579719700277 -0.003887537571787791 -0.031424304434588844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39373000       1.01782000      15.95373000       0.47292886       0.69994049      -0.96125128
Cr       4.39480000       1.05100000      16.08495000       1.23708551      -1.66659674      -1.74441965
Cr       3.16580000       3.51455000      15.94125000      -1.55881119       0.70905841      -1.23773343
Cr      -1.17079000       2.42877000      25.27045000      -1.66113987       0.88792409       1.24980212
Cr       1.82621000       2.41147000      25.33209000      -2.14484838       0.73572392      -0.39567454
Cr       0.22420000       5.07528000      25.30494000      -3.28908884      -1.81840483      -3.02009881
Cr       1.22606000       4.44708000       6.23646000       0.21000575      -2.06631258       0.44202570
Cr      -1.66472000       4.34007000       6.23328000      -2.45556656      -0.10469639      -1.20986461
Cr      -0.30995000       1.80370000       6.18086000       1.21525032       0.19576122      -0.22572712
Cr       0.06496000       0.01068000      18.51107000       1.76860100       1.30525779      -4.03880304
Cr       2.95836000       1.52470000      27.70189000      -0.48105989       0.47484627       0.48169605
Cr      -0.40663000       3.44295000       8.58395000       2.77008221      -1.22125169       1.13507590
Cr       2.69207000       5.08282000       3.82545000      -0.22120925      -0.59414517      -1.06325628
Cr       2.96210000       1.75805000      13.50274000      -0.39087536      -1.16439881       0.04355433
Cr       0.41738000       3.34752000      22.95124000      -1.11702180       1.83776798       1.79045392
Cr       0.35617000       1.70741000      20.74413000      -0.58682379       1.12008836      -1.18529863
Cr       1.76283000       4.31631000      20.56756000      -2.08702400       0.35390161       3.65825759
Cr      -1.24275000       4.24516000      20.83562000       2.01134003      -0.60084539      -2.44352551
Cr       2.89184000       3.30772000       1.38555000      -0.65894770       0.42876472       0.94465806
Cr       1.33979000       0.71710000       1.48751000      -0.52469402       1.18563571      -0.72104986
Cr       4.21741000       0.68643000       1.38220000       3.08278514       0.40749822       1.86249541
Cr      -0.10748000       5.05856000      11.10455000       0.88867012      -0.61405590       0.08328007
Cr       4.39777000       2.55082000      11.07440000      -0.75433817      -1.17936299       2.04556054
Cr       1.40481000       2.50192000      11.02003000       0.34876683      -0.12219277       1.11552193
O        1.59620000       0.67015000      19.55909000      -0.81697945       0.24035224       0.34869315
O        4.66051000       0.95282000      19.59406000       1.00243685      -0.83823897       0.53596987
O        3.23305000       3.53386000      19.64124000       0.22141828       0.94363054      -0.51290476
O        4.32882000       2.39838000       0.34007000      -1.59788314      -0.89952242      -0.69562494
O        1.56123000       2.41781000       0.24749000       0.84049315      -1.61675820       0.17910839
O       -0.12670000       5.06120000       0.35146000      -0.92007227       0.90492264      -0.97032037
O        1.14342000       4.02874000       9.76612000      -0.82828034       0.32000544       0.94197785
O       -1.50000000       4.15277000       9.98964000      -1.23489361       0.87886401       0.11806598
O       -0.09581000       1.85894000       9.87570000      -0.43804358      -0.51323775      -0.00349752
O        1.56528000       0.82907000      12.23243000      -0.60218499       0.92400420       0.76473166
O        4.22774000       0.72833000      12.29713000       0.49708441       0.96705385      -0.20637423
O        2.95049000       3.20814000      12.33588000      -0.29745891       1.09218285      -1.91988639
O       -1.03504000       2.60516000      21.83389000       0.46065796      -0.34408452       0.45746584
O        1.85897000       2.61793000      21.86894000      -1.68957782       0.67315975      -1.48378316
O        0.22075000       5.04678000      21.75662000       1.44399398      -0.58422352       1.04111926
O        1.52240000       4.27085000       2.57117000      -1.23231148      -1.17761181      -0.39691202
O       -1.73111000       4.21492000       2.57775000      -0.20580122       0.37643227       1.00755675
O       -0.21451000       1.46494000       2.58017000       0.54170515       0.66667217       0.03518266
O        0.97102000       0.77058000       5.05751000       1.79018448       0.92443986       0.46142189
O        4.24394000       0.93296000       5.04465000       0.85918000      -1.26380174       0.21218874
O        2.57978000       3.52133000       5.05606000       0.63207119       0.68505380       0.94612496
O        4.36912000       2.56287000      14.55602000       0.79981936       0.24874096       2.42135089
O        1.77931000       2.79637000      14.76805000      -0.79987110      -1.37050011       0.47856230
O        2.87809000       0.29722000      14.90893000       0.84488025      -0.15519782      -0.39556295
O        1.65276000       4.15893000      24.39138000       0.95408747      -0.23265241      -2.08830889
O       -1.15577000       4.10363000      24.21677000       1.09094194      -0.78020334      -0.89978320
O        0.29412000       1.81697000      24.17814000       0.40523953      -0.50888827      -0.33274602
O        0.31320000       0.04911000      21.65826000      -1.54977121      -0.24442007       1.21814416
O        2.85179000       1.60718000       2.42196000      -0.68806360      -0.04483770       0.51980485
O        0.04472000       3.32076000      12.15362000      -0.92133414       0.39481709      -0.71245920
O        5.68089000       0.21062000       7.32189000      -0.30985844      -1.28672804      -0.19068868
O        2.89270000       1.79184000      16.99051000       0.27282013       1.03546276       0.85322722
O        0.21812000       3.46156000      26.27468000      -0.05319493      -2.33385978       1.32516669
O        2.82966000       5.00676000       0.36125000       0.20159515       0.19153371      -0.08204998
O        2.89798000       1.66629000      10.05824000       0.26453987      -0.08238077      -0.56927014
O        0.34614000       3.40713000      19.67048000      -0.81038870      -0.19555689      -0.59523553
O        0.02409000       1.58775000      17.23143000      -0.45634123       1.35593637      -0.30812863
O        1.78805000       4.45725000      17.11494000      -0.85957367      -0.25233397      -0.14070705
O       -1.52441000       4.53978000      17.00854000       0.56179551      -1.07142325       1.49998522
O        3.03392000       3.14439000      26.58520000       1.77920222      -1.92945557      -1.16186520
O        1.70293000       0.70057000      26.34249000      -0.47459629       1.02916817       0.59407266
O        4.26119000       0.74873000      26.40585000       3.80459297       3.04165395       2.58229082
O       -0.26560000       4.94080000       7.41429000      -0.20962211       2.32500074      -0.22722500
O        4.28338000       2.67875000       7.27047000      -1.33658066       0.17299097       0.72540387
O        0.91354000       2.76385000       7.37546000       2.11789791      -0.55377565      -0.83931142
Zn       2.89175000       4.90780000      26.99681000       0.78925375       1.52324688       0.85984617
Zn       2.81616000       1.71767000       8.10764000      -1.18737965       0.12552542      -0.42897655
Zn       0.08890000       3.60139000      17.62572000       0.18803136      -0.53500168       0.59758827
Zn      -2.66351000       5.06182000      23.57379000      -0.52320117      -0.07001111       0.64773576
Zn       2.64933000       1.63378000       4.36349000      -1.06583693       0.79314276      -0.16952320
Zn       0.25016000       3.68449000      14.04330000      -1.01346037      -0.32464593       0.07924314
Zn      -0.02659000       0.08877000      13.40942000       0.18005233      -0.20182476      -0.40733068
Zn       3.29395000       1.80771000      22.81220000       0.52331383      -1.15315465       0.89570643
Zn      -0.44702000       3.27470000       3.74317000       0.85074843      -0.09418353      -0.40829220
Zn       2.63307000       5.05591000       9.56779000       1.47079485       0.95233151      -1.03551811
Zn       2.94457000       1.84754000      19.01565000       0.72906635      -1.33246293      -0.84336816
Zn      -0.01974000       3.27328000      28.35293000      -0.06940460       0.01474674      -0.92776010
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.70761974 magmom=72.0027475 free_energy=-551.70761974 stress="-0.02966655891300346 -0.004184583680076628 -0.004756613928241388 -0.004184583680076628 -0.04946780553471424 0.001961922386828028 -0.004756613928241388 0.001961922386828028 -0.03573180595496055" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35763000       0.96042000      15.84185000       1.80793561       0.41890138       1.70808568
Cr       4.44884000       0.99665000      16.09365000       0.41139641      -0.40544555      -0.21321314
Cr       3.06326000       3.54964000      15.94911000      -0.02544856      -0.80523970      -1.29627654
Cr      -1.30885000       2.45484000      25.30754000       1.00888127       0.59384388      -1.02727041
Cr       1.84078000       2.33314000      25.27494000      -3.90251088       2.17963593      -2.29326826
Cr       0.15231000       5.01183000      25.22589000       1.72059557      -0.62122514       0.85027468
Cr       1.15929000       4.38537000       6.28330000       2.39334587      -0.62173957      -0.50385732
Cr      -1.67330000       4.33020000       6.11308000       0.10354200       0.35104914       2.03059792
Cr      -0.23328000       1.79698000       6.18845000       0.60852394      -0.82307449      -0.37242900
Cr       0.10816000       0.07135000      18.50553000       0.53339614      -0.44486147      -2.88752953
Cr       3.06566000       1.51727000      27.57263000      -2.61146474      -1.00010174       1.93448152
Cr      -0.36591000       3.41742000       8.64831000       1.91875730      -0.13113539       0.24333381
Cr       2.75791000       5.06583000       3.69633000      -0.83222646       0.61367151       2.53064239
Cr       2.99828000       1.74674000      13.51928000      -0.54847763      -0.22213831       0.66735542
Cr       0.35638000       3.43947000      23.04647000       0.82853822      -3.08278752      -1.03738811
Cr       0.36081000       1.74742000      20.74215000      -3.42799409      -0.58962269      -0.98885525
Cr       1.60739000       4.34066000      20.64616000       3.18572767      -0.17202478       1.35624197
Cr      -1.18734000       4.28284000      20.88456000      -1.23916261       0.05114925      -1.34283218
Cr       2.90545000       3.42031000       1.30442000      -2.23915073      -1.77161977       1.55568571
Cr       1.42555000       0.74456000       1.46816000      -3.72132456       0.95203701      -0.16881544
Cr       4.15128000       0.75995000       1.38232000       3.11994999      -0.29955577       1.71693108
Cr      -0.08090000       5.01079000      11.18544000       0.00779742       0.21801818      -0.25932394
Cr       4.41140000       2.50335000      11.15903000      -1.11029986      -1.95580201      -1.13194538
Cr       1.41274000       2.38987000      11.05418000       1.35331754      -0.44216634      -0.24273641
O        1.55466000       0.69554000      19.60925000       0.72954828       0.60696603       0.08078958
O        4.69954000       0.87303000      19.66464000      -0.39032664       0.57010081      -0.27649922
O        3.23456000       3.65741000      19.75429000      -0.49487167      -0.70101066      -1.13016689
O        4.15674000       2.37104000       0.22168000       1.37259913       0.72996840       0.40539035
O        1.55555000       2.19282000       0.27137000      -0.05185047       2.44908176      -1.72876327
O        2.71395000       0.02211000       0.26682000       1.22577287      -0.45647796      -0.73906844
O        1.15484000       4.02201000      10.05854000      -0.00156939       0.66701026      -1.95836181
O       -1.58908000       4.09461000      10.01094000       0.71947891       0.83067475      -0.17336284
O       -0.15560000       1.77155000       9.92130000       0.73316336       1.25058294      -0.56871874
O        1.50463000       0.83383000      12.35217000       0.74470983       0.01705882       0.17914735
O        4.29434000       0.74081000      12.42221000      -0.29298584       0.18962110      -0.64390970
O        2.95892000       3.13179000      12.11212000      -1.51706126       0.91875890       2.20070220
O       -0.97727000       2.66420000      21.96506000      -1.50465801      -0.72459961      -1.08874684
O        1.66842000       2.49773000      21.73863000       2.10727049       1.99506986       1.81700732
O        0.36220000       4.91330000      21.89634000      -1.33805755       2.56530043       0.38150154
O        1.39833000       4.25435000       2.59820000      -0.20567767      -0.23606061      -0.96920372
O       -1.77027000       4.29902000       2.60755000       0.83781148      -0.96939997      -0.35165638
O       -0.25095000       1.54251000       2.51344000       0.41117391      -0.02341905       0.15722859
O        1.17073000       0.76856000       5.02763000      -0.24593505       1.41381368      -0.68697936
O        4.41663000       0.74191000       4.99391000      -1.24558122       1.21580520       0.04302805
O        2.76742000       3.60476000       5.22233000      -1.46153647      -1.20360600      -2.32352287
O        4.37237000       2.45162000      14.76905000       0.46934566       1.36452013      -0.07425648
O        1.64285000       2.65788000      14.87203000      -0.00365679      -0.40042777      -1.13937104
O        3.04158000       0.27463000      14.93103000      -0.95717812      -0.31284085      -0.90312388
O        1.69117000       4.05570000      24.20891000       0.92492939       1.07252126       1.67714030
O       -1.08556000       4.03583000      24.09810000      -0.78996966       0.86885254       1.47141432
O        0.25946000       1.89312000      24.24127000      -0.29510003      -2.05746734      -0.49533258
O        0.22139000       0.16320000      21.79183000       0.22965684      -1.58248840      -0.59764102
O        2.76787000       1.71943000       2.37538000       0.90810040       0.11222935       0.77473477
O        0.01649000       3.18278000      12.04529000      -0.17996609       1.96334863       2.88288767
O        5.67052000       0.11795000       7.23411000      -0.06303663      -0.17807387       0.53671708
O        2.98531000       1.91046000      16.97606000      -0.49398993      -0.69882050       0.92122330
O        0.08738000       3.27624000      26.28893000       1.21522225       1.04770995       1.14571772
O        2.75627000       5.07231000       0.38137000       0.48638411       0.15659728      -1.11657232
O        3.04046000       1.62123000      10.05079000      -1.45056419      -0.77804318      -0.26164276
O        0.26961000       3.45492000      19.63152000      -0.81158546      -0.18852343       0.46954802
O        0.05624000       1.67791000      17.34806000      -0.03913301      -1.96492702      -2.24028312
O        1.78363000       4.38966000      17.08047000      -1.08344682       0.81607758       1.20887248
O       -1.48224000       4.42935000      16.97046000      -0.52524511       0.92177367       0.76322135
O        3.01595000       3.04030000      26.50387000       1.98703873       1.73087355      -0.47394317
O        1.69614000       0.75434000      26.22091000       0.16530298      -1.52789263       1.56575049
O        4.55606000       0.95120000      26.43243000      -1.78313480      -1.34079211      -0.44312091
O       -0.24017000       5.09146000       7.42175000      -0.56400897      -1.39632841      -0.18045986
O        4.26606000       2.74666000       7.23141000       0.94742620      -0.48345715       0.94732957
O        1.15363000       2.72030000       7.40162000      -1.76692399       0.42844820      -0.27723510
Zn       2.93285000       4.88751000      26.97511000       1.18565630       0.35461502       0.98435586
Zn       2.72786000       1.79460000       7.99053000       0.11499690       0.20544115       0.90077854
Zn      -0.00337000       3.47698000      17.69910000       0.79701802       1.44750266       0.04579250
Zn      -2.61904000       5.02201000      23.64385000      -0.85931090       1.24602445       0.24113735
Zn       2.70089000       1.71579000       4.26943000       0.54721353       0.39185618       1.41794637
Zn       0.29838000       3.70416000      13.95679000      -0.94904336      -0.66130932       0.27010431
Zn      -0.01587000       0.11411000      13.52809000       0.19873434       0.00249266      -0.49146250
Zn       3.26712000       1.72263000      22.81651000       0.02279686      -0.09932439      -0.25862518
Zn      -0.39672000       3.34993000       3.79580000       0.82238832      -0.24175954      -0.59368916
Zn       2.65662000       5.10393000       9.50552000       0.21477619      -1.21868502      -0.96819547
Zn       2.85834000       1.93678000      19.00289000       1.34361073      -0.49106549      -0.50092009
Zn      -0.04335000       3.33283000      28.40894000       0.55963425      -1.60366297      -0.66252152
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.95019356 magmom=71.9989785 free_energy=-551.95019777 stress="-0.02057254075617579 0.005045920715010348 0.0072460475576052044 0.005045920715010348 -0.04559472950836358 0.0027096074388055385 0.0072460475576052044 0.0027096074388055385 -0.034795570891655844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43344000       0.90044000      15.84200000       2.22646265      -1.04972781       1.04149403
Cr       4.52521000       0.90011000      16.08809000      -3.03593706       1.04542194      -1.49117789
Cr       2.93269000       3.54600000      15.90947000       0.73019174      -1.17824700       1.00451601
Cr      -1.38491000       2.49858000      25.32581000       4.12074489      -1.92555491      -2.12993624
Cr       1.65666000       2.33189000      25.16758000       1.19124456       0.34640456       2.81868855
Cr       0.15535000       4.93732000      25.25400000       2.97713714       1.07016576       2.32342814
Cr       1.22233000       4.28306000       6.29960000       0.15291896       1.74354409      -3.01503876
Cr      -1.69264000       4.32980000       6.09405000       0.92971833      -0.40308832       0.99713814
Cr      -0.11957000       1.74387000       6.17615000      -1.74393542      -0.30961489      -0.90447703
Cr       0.14504000       0.12059000      18.40082000      -0.40534413      -1.10196954       0.69354765
Cr       3.04880000       1.47356000      27.49116000      -0.89808725       2.06542428       1.38067574
Cr      -0.19402000       3.38763000       8.73692000      -1.02830878       2.01863788      -1.05507918
Cr       2.76862000       5.07894000       3.69074000      -0.60086139       0.14018517       0.74772180
Cr       3.00515000       1.72170000      13.58194000      -0.11139563       1.17801902       0.62248345
Cr       0.33494000       3.37493000      23.08545000      -0.60747862      -0.99645380      -1.41837498
Cr       0.18412000       1.74461000      20.66485000       0.10096921       0.66230565       2.81163697
Cr       1.64528000       4.39137000      20.76779000       0.23896298      -0.93002209       0.18901169
Cr      -1.21183000       4.32372000      20.83630000      -1.67946204       0.26030301       0.85739897
Cr       2.78784000       3.43427000       1.29087000      -0.12371169      -1.02198330      -0.19313070
Cr       1.31600000       0.85492000       1.40356000       0.76691233      -0.19797267      -1.49538293
Cr       4.27348000       0.84697000       1.42696000      -1.15523068      -0.06689849      -1.61809380
Cr      -0.04796000       4.96979000      11.26182000      -1.06076667       0.02146340      -0.88923263
Cr       4.34045000       2.36404000      11.20896000       0.08958876       2.34366564      -1.39469543
Cr       1.49093000       2.26854000      11.09086000      -2.06525918       2.39205787       0.06142552
O        1.58911000       0.80727000      19.67988000      -0.66149643       0.07597532      -1.20935493
O        4.66438000       0.88554000      19.68248000      -0.10799164       0.44145940      -1.62726503
O        3.17635000       3.71920000      19.67154000      -0.20829203      -0.06291761      -0.68236959
O        4.14166000       2.45635000       0.20997000       0.73770152      -0.13937748       0.53531084
O        1.59638000       2.31758000       0.05454000      -0.27683580       0.58989094       0.93849983
O        2.74013000       0.08580000       0.11876000       0.66409103      -0.36211784       2.00359757
O        1.12282000       4.06256000      10.04518000       1.93960935      -0.21410211      -0.82112540
O       -1.50896000       4.14437000      10.03378000      -0.16887491      -0.34193888       0.27982323
O       -0.09728000       1.90205000       9.89527000      -0.09965942      -2.51833102       0.77106125
O        1.61939000       0.88163000      12.47214000      -0.77523421      -1.06905139      -0.27249615
O        4.26056000       0.83925000      12.40141000       1.13722502      -0.86214202       0.02961099
O        2.76993000       3.13384000      12.19075000       1.39212840       0.40804935       0.92461697
O       -1.08920000       2.65694000      21.89627000      -0.38090232       0.03302069       0.05236858
O        1.60767000       2.73124000      21.81464000       0.49711976      -1.24749887      -0.42607078
O        0.32061000       5.06717000      22.07543000      -0.90608386      -1.68972828      -1.79691960
O        1.29162000       4.24192000       2.44305000       0.97418975       0.38057622       1.02383061
O       -1.76010000       4.28237000       2.55749000       0.10707138       0.20148396      -0.01833033
O       -0.18493000       1.54027000       2.49436000       0.32465896       0.51869483       1.02882306
O        1.27364000       0.95394000       4.97190000      -1.60746541      -1.56297711       0.64171326
O        4.43201000       0.71779000       4.99765000      -0.64833528       1.02838766       0.40861792
O        2.75032000       3.56616000       5.02339000      -0.20264823       0.50699114       0.47307739
O        4.41695000       2.57020000      15.03183000      -0.37270456       0.22963817      -1.92905659
O        1.56351000       2.42666000      14.77944000       0.55449225       2.24545381      -0.60005402
O        3.05804000       0.25655000      14.82192000      -0.04839877      -0.73712370       0.84508865
O        1.77829000       4.05000000      24.26141000      -1.96997818      -0.14877156       0.42086898
O       -1.05975000       4.03835000      24.23979000      -1.51452679       0.20867434      -1.32504190
O        0.17503000       1.68477000      24.20515000      -0.54662782       1.84107243      -0.38646127
O        0.16430000       0.00408000      21.75779000       0.89156109       0.97413596       0.31325368
O        2.80715000       1.79453000       2.36338000      -0.20895112      -0.87541250      -0.04837082
O       -0.13873000       3.34607000      12.26172000      -0.32329344      -1.90235253      -2.94079838
O        2.70233000       5.08758000       7.18303000       0.91572088       0.76816835       1.45512368
O        3.01629000       1.93784000      17.04526000      -0.43258808      -1.06933318      -0.88432732
O        0.14517000       3.22408000      26.42700000       0.53420169       0.66900112      -1.69828690
O        5.72629000       0.02950000       0.30464000       0.24199766      -0.13287709       0.65124924
O        2.92640000       1.45027000      10.04683000       0.03626082       0.88251293      -0.12215005
O        0.07221000       3.47486000      19.73738000       1.56139246      -0.17143156      -1.40748029
O        0.10413000       1.49316000      17.01728000       0.06835384       2.57917854       1.82556852
O        1.62089000       4.43279000      17.21084000       0.28365569      -0.64563886      -0.32255961
O       -1.56956000       4.47810000      17.06239000       0.06710323      -0.89968230      -0.29225215
O        3.26643000       3.17576000      26.34239000      -3.93878703      -0.50670210       1.47930426
O        1.69969000       0.62355000      26.28749000       0.76386293       1.32269696      -0.50444239
O        4.60113000       0.96721000      26.41154000      -1.91015910      -1.97959558      -0.10628726
O       -0.29919000       4.98855000       7.34325000       0.57499302       0.76908538       0.47602957
O       -1.45392000       2.75414000       7.34004000      -1.42612068      -1.11546744      -0.25322596
O        1.06775000       2.74583000       7.33520000       0.71608834      -1.29034179       1.30670619
Zn       3.04134000       4.90167000      27.00524000      -0.04340721       0.75458259       0.44120750
Zn       2.64171000       1.87860000       7.90951000       1.71828040      -1.21494109       0.47699131
Zn      -0.06101000       3.40021000      17.78044000       0.29545203       0.45940387      -0.22940805
Zn      -2.61953000       5.04549000      23.72973000       0.07754689      -0.82298039      -1.09064296
Zn       2.78809000       1.83254000       4.23940000       0.93013550      -0.64109514       0.44990521
Zn       0.29629000       3.69246000      13.90108000      -0.06057549      -0.42983670       3.74932127
Zn       0.00958000       0.14003000      13.64231000       0.04729335       0.04837523      -1.01280182
Zn       3.24241000       1.62578000      22.83462000      -0.17571269       2.01477282       0.84568084
Zn      -0.29374000       3.41988000       3.82860000       0.39889967       0.03790810      -1.25929362
Zn       2.70848000       5.10860000       9.38139000       0.34242241      -0.52146054      -0.26379041
Zn       2.84308000       1.99830000      18.95959000       1.35525409      -0.55396409       0.37348286
Zn      -0.04055000       3.31756000      28.42433000      -0.14218590      -0.36606480      -0.63461675
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.75342572 magmom=71.9990162 free_energy=-549.75342572 stress="-0.04721898893533025 0.004481142295295188 0.0036395928602979653 0.004481142295295188 -0.04473283532511774 -0.009470863607049334 0.0036395928602979653 -0.009470863607049334 -0.04042331827165306" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.61948000       0.78796000      15.92323000      -2.31021039       1.23984769       0.09762481
Cr       4.47403000       0.85210000      16.03965000       0.50397881       1.58602836      -0.68253113
Cr       2.84450000       3.48041000      15.93556000       0.61988159       0.20422725       0.48764602
Cr      -1.31448000       2.44669000      25.30051000      -1.81743731      -0.09253981       0.38913874
Cr       1.54233000       2.34513000      25.24971000       2.39172041      -0.16250271      -0.27964887
Cr       0.28808000       4.93816000      25.45245000      -4.17377181      -2.08738368      -6.06011455
Cr       1.30443000       4.26094000       6.17728000      -1.42091919       0.74339401       0.55949185
Cr      -1.63664000       4.30090000       6.16908000      -0.03525913      -1.19405070       0.16680949
Cr      -0.11140000       1.68491000       6.13723000      -2.50523699       1.24386045       2.00167498
Cr       0.12530000       0.14708000      18.33492000      -1.46619191       0.89181627      -0.39331923
Cr       2.97664000       1.51449000      27.43071000       0.92563562       2.53623407       4.54678559
Cr      -0.07495000       3.44081000       8.79219000      -1.89208039      -0.91879588      -1.17033636
Cr       5.68677000       0.00502000       3.73944000       0.70532050       0.95923483      -1.71775231
Cr       3.01271000       1.74643000      13.66722000       1.50049201      -0.53489871      -2.29051760
Cr       0.27159000       3.23932000      23.01895000      -2.47791232       3.81208178      -0.58382248
Cr      -0.02584000       1.74340000      20.65563000       2.51222269       1.31999454       0.57287977
Cr       1.72835000       4.39653000      20.85558000      -3.14626076      -0.85020777      -2.24280101
Cr      -1.32821000       4.37279000      20.77844000       1.27975944      -0.77864621      -1.53065591
Cr       2.66509000       3.38840000       1.28769000       3.46221543       1.67622121       1.41327198
Cr       1.23239000       0.96040000       1.26787000       3.45645105      -1.57238530       1.77033756
Cr       4.35345000       0.94140000       1.38184000      -1.35889901      -0.86965262       0.31116940
Cr      -0.06168000       4.92673000      11.28470000       0.36239952       0.47328595      -1.27394958
Cr       4.26372000       2.33621000      11.16970000       0.25521955       1.43714287      -1.36461522
Cr       1.46988000       2.28245000      11.15142000      -2.07933937       1.86303494       0.77219831
O        1.49230000       0.91277000      19.60381000      -0.61602766      -0.17155578      -0.37577157
O        4.58089000       0.99577000      19.48714000       0.21570718      -0.77606465       0.34495424
O        3.08712000       3.78845000      19.52030000       0.09465311      -0.39548008       1.19389164
O        4.23707000       2.54736000       0.31977000      -0.82577230      -0.31540794      -1.58624287
O        1.64738000       2.55718000      28.57011000      -0.82336284      -1.94975695       0.00825973
O        2.89870000       0.15987000       0.25183000      -0.66733725      -0.30374415      -0.87610201
O        1.36582000       4.05366000       9.87892000      -0.81868184      -0.67574584       1.55994275
O       -1.38063000       4.11393000      10.07677000      -1.10166537      -0.24291643      -0.69556801
O       -0.04619000       1.74861000       9.96296000      -0.40242376       0.47567143      -0.17585362
O        1.67862000       0.79368000      12.50038000      -1.00827174      -0.19339160       0.02102798
O        4.32725000       0.82944000      12.35599000      -0.05552752      -0.88398576       1.03922386
O        2.77362000       3.14426000      12.42518000       0.68551881       0.53559215      -1.53193295
O       -1.24534000       2.66842000      21.81018000      -0.27538372      -0.41930378       0.77882670
O        1.66432000       2.80540000      21.88186000       0.61377636      -2.05873718      -0.53534737
O        0.08230000       4.94737000      21.93843000       1.55351336       0.66391848       0.53504163
O        1.42502000       4.35383000       2.43405000      -0.91424085      -0.21274356       1.02613360
O       -1.79080000       4.32580000       2.45032000      -0.16029855       0.36223182       0.82585033
O       -0.07918000       1.54689000       2.59589000      -0.55599418       1.63613976      -0.42045306
O        1.08305000       0.83361000       5.01398000       2.17966221      -0.72126391      -0.71028528
O        4.34393000       0.86864000       5.07331000       0.01586931      -0.71428722      -0.39359582
O        2.62982000       3.64768000       4.87934000       0.84858616      -1.22568700       2.10186620
O       -1.56731000       2.72149000      14.95742000       0.13634216      -1.26603884      -1.03848419
O        1.63086000       2.50801000      14.65154000      -0.61488616      -0.12469608       2.42184249
O        3.04763000       0.17855000      14.85349000       0.76846047      -0.36335111       0.27470092
O        1.51756000       4.02071000      24.37832000       1.61246431       0.74341784      -2.56696655
O       -1.20619000       4.06747000      24.30339000       1.63268966      -0.55392926      -0.38345224
O        0.02598000       1.78309000      24.12832000       0.82789254      -2.30686791       0.72004639
O        0.24212000       0.03813000      21.74478000      -1.08502724       1.65225444       1.78085718
O        2.82245000       1.71021000       2.28211000      -0.90419017       0.30651922       1.30834800
O       -0.28805000       3.23741000      12.10535000       2.77179426      -0.25157628       2.30651281
O        2.81470000       5.05944000       7.27913000      -0.20831650       0.18734989      -1.15848155
O        2.97904000       1.76304000      16.93729000      -0.19166440       0.07566990       0.64779668
O        0.28114000       3.29308000      26.26909000      -2.17524337      -1.66906654       2.75674625
O        5.78489000       0.05927000       0.34259000      -0.76272985      -0.45720767      -1.36915009
O        2.76936000       1.43952000      10.07751000       1.30253155       0.48497212      -0.47518512
O        0.10765000       3.46356000      19.75218000       0.40823441       0.35785413      -0.26223619
O        0.15410000       1.66172000      16.89730000      -0.56143332      -0.66525654       1.20070412
O        1.52274000       4.40285000      17.26109000       0.92547185       0.16374164      -1.13740897
O       -1.68651000       4.38617000      17.07612000       1.18468045      -0.76846373      -0.03890596
O        3.00051000       3.16426000      26.26492000       1.03984721      -0.88702861       0.72647398
O        1.75541000       0.67619000      26.27198000      -1.71113829       0.38409263       0.64937201
O        4.38029000       0.67168000      26.38524000       4.43021193       3.59101848       2.91822184
O       -0.22771000       4.92178000       7.28077000       0.75210775       0.95189760       0.71998878
O       -1.45602000       2.59512000       7.39500000      -0.74961668       0.60221905      -0.50336945
O        1.02211000       2.65395000       7.37269000       1.46328978       0.30909365      -0.91125304
Zn      -2.73819000       4.95785000      27.06970000      -0.74693850      -0.47779522      -0.03235407
Zn       2.64471000       1.90625000       7.86183000       1.79873984      -1.43873031       1.07092245
Zn      -0.10252000       3.34679000      17.84632000       0.26880399       0.64217082      -0.50169174
Zn      -2.63491000       5.04252000      23.77082000      -1.50606342      -0.39907409      -0.88076359
Zn       2.93107000       1.91446000       4.23946000      -0.60579751      -1.32084775      -0.34802393
Zn       0.27051000       3.64313000      13.98784000      -1.48713234      -1.36290196      -0.63062587
Zn       0.04198000       0.16603000      13.72688000      -0.03610887      -0.24291087      -1.54510350
Zn       3.20728000       1.61252000      22.89689000      -0.34184431       0.38980492       0.01941449
Zn      -0.15946000       3.49795000       3.81181000      -0.11453245       0.01992375      -1.39860750
Zn       2.78911000       5.08117000       9.23193000       1.20671921       0.03211026       0.62218489
Zn       2.90310000       2.02766000      18.91559000       0.42405925      -1.22252331       0.00805245
Zn      -0.04506000       3.28337000      28.40448000      -0.42575417       1.54533311      -0.60295252
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.51911382 magmom=71.9985687 free_energy=-550.51911382 stress="-0.04185144139509341 -0.0017270227789358092 -0.003444664488515797 -0.0017270227789358092 -0.024549428108843866 -0.011446116821279733 -0.003444664488515797 -0.011446116821279733 -0.03854320902471129" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64963000       0.71377000      16.02126000      -2.80551511       0.73518655      -1.65261642
Cr       4.47156000       0.88438000      15.98769000       1.83414356       1.29436791      -1.11952987
Cr       2.82609000       3.43408000      16.01014000       2.32280910       0.10746365      -0.99260071
Cr      -1.35391000       2.35372000      25.33529000      -0.13362271       0.21565484      -0.27920510
Cr       1.57894000       2.34362000      25.36673000      -2.22087101       1.57339002      -4.22755309
Cr       0.25969000       4.94091000      25.48802000      -0.19857227      -0.82107377      -2.02586626
Cr       1.27959000       4.28859000       6.08495000      -0.52261341      -0.52448568       1.86536216
Cr      -1.55876000       4.21194000       6.26354000      -0.52571424       0.77519016      -1.65908898
Cr      -0.22648000       1.69516000       6.19009000       2.04730989      -0.20623880      -0.01014762
Cr       0.00775000       0.22771000      18.25656000       0.10363926      -2.17033204       0.09361598
Cr       2.95220000       1.64842000      27.50809000       1.80050422      -1.40715399       2.76729884
Cr      -0.06003000       3.44753000       8.76374000       0.55347628      -1.89103437      -1.06197371
Cr       5.70731000       0.08802000       3.71487000       1.19775250       0.54353489       1.74733871
Cr       3.07150000       1.74771000      13.61841000      -1.99247599      -2.22462010      -1.66140512
Cr       0.08156000       3.28082000      22.91431000       1.76977359      -0.54452427       1.40060388
Cr      -0.10155000       1.79381000      20.64597000       2.60524560       0.06646080       0.44116824
Cr       1.65358000       4.34198000      20.81924000      -0.19411785      -0.46020719      -0.36474915
Cr      -1.40143000       4.40375000      20.65740000       0.43176185       0.52283228       0.70187886
Cr       2.73035000       3.43654000       1.35712000       0.95143711       1.01705483       0.34853939
Cr       1.33109000       0.95658000       1.21958000      -0.32486386      -1.73805600       2.48190640
Cr       4.33524000       0.99061000       1.33381000      -0.24516428      -0.80122301       1.57628053
Cr      -0.06929000       4.90733000      11.24268000       0.78721109       0.84813715       0.46707602
Cr       4.23441000       2.40073000      11.07366000       1.57534442      -0.57229779       1.85354289
Cr       1.34929000       2.39296000      11.24342000       2.77482281      -1.92040525      -0.82987505
O        1.30533000       0.95365000      19.48213000       1.28740769       0.05287210       0.39934815
O        4.54719000       0.99110000      19.38862000      -0.15727894      -0.35303983       1.30150333
O        3.01534000       3.81549000      19.55378000       0.21618246      -0.73939684      -0.50749822
O        4.14004000       2.55918000       0.18631000       0.14344738       0.38343540       0.24268464
O        1.62615000       2.46067000      28.60075000      -1.23334212       0.48587717       1.14618299
O        2.92647000       0.18697000       0.25917000      -0.83721934      -0.92902226      -0.77694566
O        1.41228000       3.91647000       9.97824000      -0.97725782       1.38900869      -0.45425974
O       -1.38640000       4.02737000      10.01789000      -0.67083025       0.97146715      -0.60342586
O       -0.08246000       1.68941000      10.04088000      -0.26123955       0.43497182      -1.51098476
O        1.61158000       0.69556000      12.45679000      -0.14784539       0.71793086       0.27527654
O        4.32368000       0.71849000      12.42989000      -0.51484772       0.43957720      -0.46418225
O        2.92869000       3.15375000      12.37387000      -0.60404744       0.28226167      -0.96550788
O       -1.36240000       2.65069000      21.82126000      -0.66358255       0.26332446      -0.45415910
O        1.72093000       2.60135000      21.83682000      -1.58695952       0.59987667      -0.31346848
O        0.09738000       4.82218000      21.81537000      -0.08254056       2.43467821       0.94602028
O        1.46130000       4.44981000       2.55454000      -1.49792021      -0.53469462      -1.02254146
O       -1.89319000       4.46944000       2.47202000       1.31901664      -0.84938082      -0.22462131
O       -0.08325000       1.74846000       2.58318000      -0.54071027      -0.09108532      -0.98883750
O        1.16857000       0.59682000       5.01790000       0.72136591       2.10680412       0.11907622
O        4.32224000       0.86269000       5.10328000       0.37729022      -0.45943350      -0.96935240
O        2.71680000       3.63434000       5.06994000       1.17203793      -1.02662336      -1.41756474
O        4.22938000       2.63502000      14.71862000       2.17925701       0.33053504       2.10522883
O        1.67463000       2.53143000      14.89511000      -1.48362059      -1.57210630      -1.25737125
O        3.12899000       0.09782000      14.95225000      -1.01908807      -0.03420387      -1.13709036
O        1.42434000       4.09302000      24.12488000       1.17827622      -0.39836640       1.71975400
O       -1.07601000       3.98334000      24.27346000      -1.83391383       1.38911593       0.40615303
O        0.02827000       1.71436000      24.18279000       1.02454347       0.22669973       0.59299513
O        0.16290000       0.30514000      21.87829000      -0.49266277      -2.05115351      -1.97209428
O        2.72420000       1.69042000       2.34966000       1.02261631       0.97073656      -0.00694803
O       -0.03752000       3.08817000      12.19254000      -1.85316850       2.05286143       1.01359523
O        2.89740000       5.07855000       7.17214000      -1.17987695       0.23835057       0.78981640
O        2.96138000       1.64620000      16.91616000       0.81576751       1.39004431       2.13783455
O        0.07316000       3.15730000      26.40006000       0.52884069       0.93188328       0.02749641
O        5.74203000       0.02815000       0.30647000       0.08046613       0.07351209       1.09357263
O        2.81052000       1.56388000      10.11394000      -0.17354605      -0.87705079      -0.74965193
O        0.21694000       3.48554000      19.74029000      -1.24027898       0.54822088      -0.40301293
O        0.10469000       1.70378000      17.00372000       0.08712183      -1.45646137      -0.56156017
O        1.59603000       4.40200000      17.07641000      -0.52922070       0.23301323       1.26214286
O       -1.61536000       4.18250000      17.05777000      -0.19656945       1.63306419       0.86379702
O        2.95475000       3.08117000      26.32780000       2.00002570       2.05819936       0.28110643
O        1.61568000       0.75075000      26.32871000       2.80072274      -0.39239955       0.05260563
O        4.67105000       0.80677000      26.59794000      -3.81850751       0.67097694      -1.59264356
O       -0.05708000       4.97329000       7.33059000      -0.85915380      -0.11152520       0.71213403
O        4.36837000       2.57339000       7.33445000       1.29884187       0.89229454       0.60921521
O        1.15562000       2.64456000       7.25641000      -0.58724228       0.46397908       0.02570992
Zn      -2.65951000       4.99341000      27.13836000      -1.22940665      -1.99262830      -0.04697940
Zn       2.74036000       1.84944000       7.87144000      -0.17125715      -1.42554073       1.42421313
Zn      -0.12675000       3.33895000      17.88652000       1.02692537       1.04591309      -0.57857483
Zn      -2.71607000       4.99853000      23.76765000      -0.10866880      -1.07042706      -0.24498350
Zn       3.04190000       1.92337000       4.22819000      -1.52145224      -0.28735997       0.39732763
Zn       0.17488000       3.52315000      14.06953000      -0.73449287      -0.95874773       0.10264000
Zn       0.07211000       0.17824000      13.74447000      -0.07037455      -0.43010108      -1.43850916
Zn       3.15241000       1.63959000      22.97743000      -0.55509869      -0.05807211      -0.56845922
Zn      -0.03177000       3.57598000       3.73607000      -0.37665450      -0.34710134      -0.56575167
Zn       2.92289000       5.04873000       9.11251000      -0.19366468      -0.09614913       1.59680365
Zn       2.98550000       1.99510000      18.87500000      -0.90850217      -0.49153719       0.34150544
Zn      -0.07039000       3.32341000      28.35621000       0.04018982       0.90450159      -0.04876050
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.01920034 magmom=72.0007032 free_energy=-551.01920034 stress="-0.02794266990217712 0.0023731356085457617 0.002578524056815397 0.0023731356085457617 -0.03878536916795834 -0.0021879376621097182 0.002578524056815397 -0.0021879376621097182 -0.04851836811923102" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50130000       0.68945000      16.07535000       3.14394226       2.13012498      -2.80391064
Cr       4.57527000       0.94826000      15.93018000      -2.85091408      -1.21129611      -1.74389983
Cr       2.92406000       3.40885000      16.04489000      -0.22044009      -1.39910161      -1.84940540
Cr       4.46059000       2.28537000      25.39560000       2.14383666       3.81936559      -3.44117998
Cr       1.58172000       2.39642000      25.33951000       0.62685665       1.49716517       0.15843495
Cr       0.17813000       4.94593000      25.43249000       0.99812336      -1.37073511      -1.45899265
Cr       1.21700000       4.28735000       6.09824000       1.99136817      -0.53092926       0.18525096
Cr      -1.51435000       4.19446000       6.25326000      -0.81386579       2.53798509      -1.41329937
Cr      -0.23441000       1.70820000       6.24202000       2.36754177      -0.45264856      -1.66051799
Cr      -0.10607000       0.19626000      18.17617000       1.14076916      -2.45159544       4.74393447
Cr       2.99925000       1.69875000      27.60827000      -1.64817229       0.55079879       1.15020431
Cr      -0.02718000       3.35053000       8.67711000      -0.04376901      -0.01689285       1.29096467
Cr      -0.09413000       0.19745000       3.75118000       0.53221732      -0.63833446       0.05810197
Cr       3.04155000       1.65245000      13.48461000      -2.05140401       0.02809618       2.76550515
Cr      -0.02514000       3.34209000      22.88343000       1.77054734       0.13946967       1.98047305
Cr      -0.03283000       1.83444000      20.63741000       0.15347265      -0.90721848      -0.24978662
Cr       1.55588000       4.26177000      20.75108000       0.36080286       1.80848713      -0.38304003
Cr      -1.44530000       4.46553000      20.56920000      -0.13351810       0.30273556       1.88086923
Cr       2.85719000       3.54555000       1.45138000      -2.30858002      -1.49651501      -0.75827291
Cr       1.43481000       0.85650000       1.31290000      -2.11934950       1.32371166       1.13403076
Cr       4.27820000       0.98735000       1.34722000       0.13578957       0.20633936       0.56611338
Cr      -0.04937000       4.94185000      11.22129000      -0.39081643       0.24792254      -0.44171378
Cr       4.28782000       2.43917000      11.05217000       1.39503796      -0.68077411       0.28977790
Cr       1.35507000       2.41107000      11.27858000       0.86431696      -0.56980028      -1.87727586
O        1.32705000       0.96143000      19.42450000       0.03346991       0.04463931      -0.23189876
O        4.54737000       0.89778000      19.51915000      -0.26882281      -0.05515255      -0.33467486
O        2.98369000       3.72943000      19.53970000      -0.02863347       0.06673087      -0.97224898
O        4.06555000       2.65390000       0.17917000       1.53901088      -0.02209172       1.77467551
O        1.47438000       2.39455000       0.19207000       0.93311967       1.05041744      -0.58874728
O        2.81059000       0.10353000       0.17407000       0.78835731       1.19291752       0.65998242
O        1.20600000       3.96697000      10.05119000       1.20926382       0.89523040      -0.69981151
O       -1.44228000       4.04583000       9.89472000       0.49110760       0.20586414       0.43004604
O       -0.14382000       1.77959000       9.90752000       0.79940368      -0.99243568      -0.37165906
O        1.56389000       0.76172000      12.41241000      -0.26451012       0.28057286       0.28459671
O        4.19836000       0.71627000      12.40081000       1.97017534       0.20265549      -1.30811461
O        2.96676000       3.11072000      12.17273000      -1.15727951       0.75871873       1.66411846
O       -1.45678000       2.71204000      21.74502000       0.18615813       0.26076143       0.19742732
O        1.44797000       2.56651000      21.72868000      -0.30435175       0.36038937       0.89047695
O        0.13195000       5.04144000      21.88853000      -1.10759586      -0.31425070      -0.07111531
O        1.35123000       4.50431000       2.51621000       1.34688181       0.07306744       0.42883208
O       -1.80782000       4.49814000       2.51673000       1.55204383      -0.67626975       1.18364573
O       -0.19542000       1.84758000       2.40077000       0.64659952      -1.08120391       1.25549852
O        1.36070000       0.70225000       5.05208000      -0.64875215       0.98428115      -0.16879801
O        4.43527000       0.74612000       5.01147000      -0.40753476       1.13817089       0.11040792
O        2.98089000       3.51943000       5.10131000      -1.32546554       1.55992628      -0.44483029
O        4.35938000       2.48858000      14.78030000      -0.97258264       0.41419751       0.27455210
O        1.57343000       2.31189000      14.99289000       0.62740813       1.14343924      -1.31444205
O        3.05601000       0.11247000      14.88383000      -0.18769418       0.04514395      -0.02947639
O        1.48017000       4.04026000      24.14652000      -0.85623190      -0.56677873       1.08949753
O       -1.16418000       4.06674000      24.27755000      -0.50146814      -0.21519985      -0.02311849
O        0.20099000       1.67313000      24.35389000      -1.69043968      -0.48758162      -1.60202476
O       -0.02294000       0.19004000      21.63052000       1.12678617      -1.08680006       1.41998638
O        2.79125000       1.84180000       2.36319000       0.37635616      -0.74492747       0.25415870
O        0.02183000       3.28948000      12.34049000      -1.19071306      -0.16059728      -2.17527114
O        5.75393000       0.00194000       7.13876000      -0.05218273      -0.53506239       0.88573912
O        3.07060000       1.74344000      17.06100000      -0.26368109      -0.62208518      -2.01107354
O       -0.06732000       3.15546000      26.44004000       2.16143776       1.02391511      -1.28903621
O        5.70597000       0.03260000       0.44921000       0.88816383       0.82261626      -1.57273643
O        2.86984000       1.55998000      10.09083000      -0.74969926      -0.30852720      -0.79058171
O        0.07507000       3.58499000      19.71151000      -0.52300843      -0.50656336      -0.44653803
O        0.09518000       1.59074000      16.96891000      -0.16716226       2.10906934       0.89737430
O        1.58202000       4.41758000      17.01878000      -0.41248102      -0.56966870       0.43312595
O       -1.60219000       4.26047000      17.14237000      -0.67209847      -0.17991979       0.34785388
O        3.23093000       3.33359000      26.42517000      -2.44912385      -2.70976831      -0.96839602
O        1.84316000       0.74867000      26.38110000      -1.76836931       0.97841545       0.72709941
O        4.48519000       1.00585000      26.62012000      -0.10873141      -4.12969125       0.77955876
O       -0.04811000       4.94611000       7.47114000      -0.49498462       0.36112318      -0.93103633
O       -1.38236000       2.69846000       7.39559000      -1.60802484      -1.33789341       0.61600338
O        1.15915000       2.71807000       7.15682000       1.08785877      -1.51899730       1.59110363
Zn      -2.65134000       4.95583000      27.19935000      -0.71412200       1.91681018       0.38891764
Zn       2.84137000       1.72518000       7.94781000      -0.27214493       0.22202220       0.90663669
Zn      -0.09595000       3.38278000      17.89326000       1.08271907       0.11071511      -1.52192558
Zn      -2.80288000       4.91192000      23.74375000       0.25235380       0.70780208      -1.17796472
Zn       3.07381000       1.90166000       4.23155000      -1.00247309      -1.32135308       0.35248359
Zn       0.04408000       3.36065000      14.16696000       0.84408036       0.59081474       1.51447944
Zn       0.09607000       0.16907000      13.69634000      -0.10685099      -0.40484981      -1.02514429
Zn       3.06955000       1.66485000      23.03539000      -0.17635208      -0.11711597      -1.14537817
Zn       0.06769000       3.63073000       3.64069000      -1.16888075      -0.78986711      -0.07418339
Zn      -2.85449000       5.01632000       9.06941000      -1.16945082       0.54253758       1.35029105
Zn       3.02248000       1.93377000      18.87620000      -0.50609572      -0.52211021       1.97378481
Zn      -0.09340000       3.40878000      28.31773000       0.31144432      -0.95256333       0.48550615
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.40245716 magmom=72.0003754 free_energy=-552.40245716 stress="-0.03531491422696461 0.0042828957000843534 0.004728630084626435 0.0042828957000843534 -0.03822102395890859 0.00383177242777053 0.004728630084626435 0.00383177242777053 -0.04476266772273201" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46527000       0.77513000      16.03662000       1.66033559       1.12649196      -1.12791077
Cr       4.57244000       0.89770000      15.87996000      -1.53619683      -1.78612256       0.25764799
Cr       3.01087000       3.35371000      16.00180000      -1.94573780       0.91287823      -1.26274929
Cr       4.46425000       2.37042000      25.36461000       1.93943587      -0.64244002      -1.13824214
Cr       1.63030000       2.48289000      25.35403000      -0.83602084      -3.05150224      -0.42966033
Cr       0.12935000       4.92857000      25.34302000      -1.04639902       2.67424863       0.38939524
Cr       1.26867000       4.24414000       6.13786000       1.72301649      -0.20813614       0.10253362
Cr      -1.51813000       4.31217000       6.16811000      -0.42313737      -0.21808465       1.22911312
Cr      -0.10689000       1.70703000       6.21774000       0.12250683       0.51782386       0.63515778
Cr       5.76042000       0.04297000      18.23821000       0.65019616       1.72470106       0.71576393
Cr       2.99067000       1.75639000      27.71645000      -0.56433844      -0.21122058      -0.09476055
Cr       0.00587000       3.26693000       8.66084000      -0.50386150       1.89838800       0.42851561
Cr       0.03842000       0.26182000       3.79672000      -0.72438218      -1.84004932      -0.21013477
Cr       2.91329000       1.55359000      13.47603000       1.14168653       1.71671438       0.53241743
Cr      -0.03723000       3.40703000      22.97335000      -0.90169360      -0.30040602       0.39632847
Cr       0.02241000       1.80219000      20.60040000      -2.70643503      -0.20235515       0.35609806
Cr       1.47427000       4.27351000      20.65565000      -0.97951399       0.67073843       0.44733767
Cr      -1.48933000       4.52601000      20.58138000       0.77607778      -2.11064551       1.25968489
Cr       2.86563000       3.58711000       1.50313000      -0.65253950      -0.45482197      -0.01390736
Cr       1.42472000       0.84239000       1.45498000      -0.80590178       2.46529974       0.11460604
Cr       4.23826000       0.99473000       1.35696000       2.96151917      -0.51768612       1.14082231
Cr      -0.04343000       5.00485000      11.16759000      -0.53283699       0.45257541      -1.44488763
Cr       4.38879000       2.44241000      11.05176000      -0.88036370      -0.07948440      -0.01410475
Cr       1.42692000       2.40026000      11.18473000      -1.44788035       1.77217009      -1.97562903
O        1.34704000       0.96099000      19.39019000      -0.50714806       0.10404166      -0.02739478
O        4.53083000       0.78832000      19.58669000      -0.32023188       0.81979721      -0.97317190
O        2.94765000       3.69068000      19.41543000      -0.32308785      -0.55995426       0.96018811
O        4.22264000       2.73490000       0.45214000      -0.15564541      -0.76948470      -2.07781617
O        1.51423000       2.51473000       0.32182000       0.65219817       0.58060163      -0.58699922
O        2.80800000       0.21608000       0.24580000       0.41038779      -0.56540874       0.29757276
O        1.18787000       4.14793000       9.98775000       1.89749592      -1.12085264      -0.64299529
O       -1.36704000       4.05368000       9.90094000      -0.20278303       0.09995623       0.13130714
O       -0.07244000       1.73916000       9.76061000       0.40963703      -0.61371579       1.73439093
O        1.51914000       0.89137000      12.39541000      -0.65674242      -1.41483333      -0.30027854
O        4.29134000       0.83272000      12.19339000       0.31525076      -0.03979170       1.41716579
O        2.84824000       3.09550000      12.23190000       0.99320600       0.57096662       0.74252281
O       -1.41938000       2.83533000      21.69181000      -0.22349443      -1.06542039       0.74281047
O        1.15469000       2.69677000      21.76380000       3.38111135      -0.56522456       0.12542203
O        2.91289000       0.02279000      21.92977000       0.31729111      -0.49051210      -0.58530071
O        1.52124000       4.57535000       2.52638000      -0.04684813      -0.98221692       1.00101404
O       -1.54830000       4.42235000       2.68526000      -0.79948781       0.26923717      -0.59682240
O       -0.18089000       1.67192000       2.45288000       1.48594002       0.90260460       1.04990027
O        1.38115000       0.96163000       5.06428000      -0.23443466      -0.50026176       0.15020839
O        4.51579000       0.79890000       4.98567000      -0.72450024       0.50368151       0.67863657
O        2.98790000       3.70153000       5.03163000      -1.18156221      -0.62213181      -0.98286161
O        4.28938000       2.44122000      14.88955000      -0.17028687       0.88730193      -1.86112486
O        1.60812000       2.28652000      14.82255000       0.03010620       1.50158960      -0.14207299
O        2.93097000       0.15853000      14.81350000       0.63947924      -2.07819064       0.58532076
O        1.37958000       3.94606000      24.30316000       1.18711442       2.35561294      -2.79104971
O       -1.28568000       4.08936000      24.28620000      -0.33611589      -0.59052125       0.26628504
O        0.11492000       1.66142000      24.28935000      -0.53030471       0.10144736      -0.74947817
O        2.93681000       5.03970000      21.58886000      -0.51612795       2.07486937       2.14780545
O        2.90318000       1.85795000       2.36981000      -1.23241649      -0.38735600       1.18659381
O       -0.16265000       3.42169000      12.15273000       0.77897211      -2.24640577       1.54783749
O        2.70456000       5.08707000       7.21572000       1.08529375       0.17847879      -0.60435182
O        3.11189000       1.71839000      16.87168000      -0.96775517      -1.18211625       2.31354971
O        0.13508000       3.31507000      26.21600000      -1.25395548      -1.55846828       3.43339951
O       -0.08141000       0.15054000       0.43903000      -0.16999107      -0.57448946       0.06390215
O        2.83270000       1.52355000      10.01814000       0.15841669       0.83581847       0.48991853
O       -0.13343000       3.58548000      19.66909000       1.73012626      -0.80238715      -0.43957288
O        0.07159000       1.79934000      16.99560000      -0.63276527      -3.07163314      -0.22227891
O        1.49687000       4.33456000      17.03709000       1.45823872       0.44738174      -0.66534355
O       -1.70271000       4.33597000      17.21090000       0.69527202      -0.30321052      -1.11194598
O        3.09176000       3.19885000      26.35633000      -0.09159919       0.97315027       1.56644006
O        1.80807000       0.85701000      26.46626000      -1.17401371      -0.33045273      -0.00219974
O        4.28125000       0.63632000      26.58852000       1.64485414       1.87080452      -0.18396928
O       -0.12803000       4.88272000       7.40155000       0.53604489       0.21189844      -0.56038742
O       -1.43026000       2.63204000       7.46914000       0.05131255      -0.00417998      -1.99458815
O        1.28698000       2.58221000       7.31311000      -0.00972297       0.19891858      -0.43328208
Zn      -2.68832000       4.98438000      27.25877000      -0.53215134       0.39183809      -1.68544665
Zn       2.91863000       1.61598000       8.06179000      -0.18361366       0.20501641       0.23409994
Zn      -0.01173000       3.43704000      17.82400000      -0.30960137       0.97750117      -0.44911677
Zn       3.01862000       4.85737000      23.66729000      -0.59198055       1.11452198      -0.86899150
Zn       3.04859000       1.82774000       4.26210000      -0.48904388       0.50172071       1.13947503
Zn      -0.03502000       3.24065000      14.31169000       1.18760791       1.42563092      -1.39603868
Zn       0.10872000       0.13685000      13.60629000      -0.56677265      -0.55399302      -1.09681416
Zn       2.98567000       1.68497000      23.05030000       0.25538622       0.02116902      -0.89572950
Zn       0.10501000       3.64195000       3.55797000      -0.58970762      -0.68562472       0.28418157
Zn      -2.79941000       5.01043000       9.09632000      -1.13820731      -0.07059975       1.13204225
Zn       3.02958000       1.84657000      18.95601000       0.02381380      -0.54376786      -0.44338300
Zn      -0.09519000       3.45327000      28.30535000       1.05000674      -0.14142681      -0.34461972
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.1512332 magmom=72.0003785 free_energy=-553.15163393 stress="-0.04249932592075931 -0.0025874861960786893 0.00034324145843883734 -0.0025874861960786893 -0.022719150352989596 -0.004752823927862424 0.00034324145843883734 -0.004752823927862424 -0.03966359578276028" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49615000       0.90480000      15.96057000      -0.53205794      -1.65747349      -0.89805744
Cr       4.49124000       0.74467000      15.89094000      -1.66858164       1.25702587      -2.23983152
Cr       2.98641000       3.35612000      15.92797000      -0.08321836      -0.10268295      -0.76337636
Cr      -1.35627000       2.41746000      25.32584000      -1.15489810      -1.75438201       2.39724389
Cr       1.63147000       2.43002000      25.36280000      -2.05570318       0.96769457      -1.38678243
Cr       0.04785000       5.02840000      25.30862000      -0.16855283      -0.07619607       1.65230830
Cr       1.41460000       4.19444000       6.17658000      -0.35604712       0.63185925      -0.83568733
Cr      -1.55161000       4.40456000       6.13934000       0.19578826      -2.37024334      -0.24388188
Cr       0.01543000       1.74600000       6.22754000      -2.17393450       0.97443355       0.47036861
Cr       2.84105000       5.10601000      18.28861000       1.69238352       0.60517350      -1.35640151
Cr       2.97363000       1.79487000      27.84393000      -0.27241020      -1.05969111      -2.27542044
Cr       0.00773000       3.28152000       8.67123000      -0.05656996       0.25250653      -1.60021610
Cr       0.11226000       0.21272000       3.84169000      -2.17025218      -0.37714894       0.83691074
Cr       2.84491000       1.54581000      13.50105000       1.72813412       0.34527096      -1.90969180
Cr      -0.06973000       3.43932000      23.04740000       0.76697105      -1.20803295      -2.60841587
Cr      -0.06148000       1.76301000      20.58464000       0.09178910       0.98580695       2.67795193
Cr       1.36963000       4.32823000      20.59265000       1.02274147      -0.66075776       2.79529360
Cr      -1.51508000       4.46145000      20.65852000      -0.84206004      -2.01341162       0.02254534
Cr       2.84501000       3.57269000       1.53106000       2.69679601      -0.16243250       0.75863936
Cr       1.38314000       0.97549000       1.56602000       2.00679937      -0.23069236      -1.37527798
Cr       4.33323000       1.00658000       1.38881000       1.95188773      -0.96674633       3.45281859
Cr      -0.04321000       5.05987000      11.05331000       0.79836567      -1.26796466       1.78837770
Cr       4.43034000       2.43585000      11.06616000      -1.35162338       0.18095651       0.77454443
Cr       1.43466000       2.48832000      11.01962000      -0.21570953       0.67684395       3.02935170
O        1.25782000       0.94229000      19.41323000       0.17183658      -0.82054928       0.35964045
O        4.48701000       0.80348000      19.48635000       0.94035440      -0.24338998       0.34352470
O        2.85577000       3.59980000      19.48269000       0.28304555       0.28813540       0.61041669
O        4.32302000       2.65996000       0.41115000      -0.90146930      -0.03710341      -0.70386215
O        1.67001000       2.71034000       0.34026000      -1.52400752      -0.89955734      -0.37296312
O        2.86326000       0.24801000       0.39820000       0.02365362      -0.56255278      -0.51261671
O        1.41939000       4.11859000       9.85244000      -0.94863235       0.03159959       0.14415173
O       -1.27957000       4.05040000       9.93747000      -0.87322274       0.52904352      -1.02366131
O        0.06169000       1.70432000       9.90107000      -0.89618414       0.44622579      -0.72922010
O        1.47516000       0.84660000      12.28686000       0.64379458      -0.44023350      -0.55669595
O        4.35485000       0.91953000      12.18763000      -1.10906955      -1.83187882       1.23650538
O        2.85900000       3.11035000      12.36499000       0.32013800       0.63110969      -1.13070841
O       -1.36633000       2.78601000      21.77006000      -1.06295017      -0.96215609      -0.07383614
O        1.34116000       2.76500000      21.81590000      -0.27728967      -0.85174385      -0.45225523
O       -0.14310000       5.04731000      21.83485000       1.28826983       1.04701325       0.44623436
O        1.71179000       4.52833000       2.66869000      -2.11185602       0.25941973      -0.59296160
O       -1.51086000       4.44330000       2.71397000      -0.45062686       0.06688590      -1.10082759
O        0.06025000       1.65656000       2.66348000      -1.57756828       2.67823590      -0.69338784
O        1.32357000       1.04307000       5.10080000       1.72818747      -1.32702204      -0.38556932
O        4.52358000       0.91182000       5.10592000       0.17407436      -0.73135813      -0.52296688
O        2.81595000       3.78414000       4.88248000       1.27733522      -2.28251798       1.45395453
O        4.13654000       2.46933000      14.70998000       1.54583790      -1.25769554       0.59331126
O        1.68565000       2.50884000      14.67348000      -1.08886883      -0.56602361       2.01481992
O       -0.03363000       5.06743000      14.83841000       0.08634150       1.19608051       0.24743755
O        1.35893000       4.14369000      24.13454000      -0.98825653      -1.02895227       1.91513266
O       -1.39515000       4.00815000      24.34615000      -0.22275896       1.81199789      -0.45762676
O       -0.08866000       1.72045000      24.09186000       1.51273430       0.22872262       0.75583900
O        5.86774000       0.03901000      21.76124000      -0.42399044       0.80315350      -3.04977127
O        2.85117000       1.78629000       2.47845000       0.94883262       0.81325728      -0.28072217
O       -0.15657000       3.23519000      12.10974000       2.01039756       1.44353961       0.61601357
O        2.81972000       5.09215000       7.17919000       0.90825513       0.30032036       1.04633406
O        2.99226000       1.55672000      16.95216000       0.35055946       1.10526892       0.59587717
O        0.15777000       3.27316000      26.41155000      -0.84114352       0.06707987      -1.58512084
O        0.00681000       0.16975000       0.49201000      -0.80605858      -0.44478316      -0.34754780
O        2.83404000       1.62179000      10.06793000       1.26862883      -0.24671111      -0.97400621
O       -0.06200000       3.45580000      19.62709000      -0.40458304       0.57997000      -0.69535487
O       -0.06051000       1.54536000      16.99462000       0.59812485       0.96155616       0.53648162
O        1.64209000       4.29663000      16.94998000      -0.59460007      -0.67500903       1.20696096
O       -1.66569000       4.32711000      17.06541000       0.58754733       0.27909287       0.24811833
O        2.96727000       3.18438000      26.48495000       1.53644240       0.18874804      -0.19484671
O        1.60197000       0.92636000      26.52953000       1.85900209      -0.38439850      -0.36097154
O        4.35082000       0.56939000      26.47574000      -0.08537711       2.63345107       0.20241513
O       -0.07742000       4.82282000       7.23898000       0.53348875       0.92231788       1.98650488
O       -1.43582000       2.58419000       7.21131000      -0.12407703       0.77834801       1.35971681
O        1.34778000       2.51891000       7.40662000       0.32123371       0.71966862      -0.12365492
Zn      -2.75945000       5.03673000      27.23669000      -1.31425540      -0.42640483      -0.63242290
Zn       2.98286000       1.52946000       8.16972000       0.08020882       0.42676747      -1.43844196
Zn       0.05437000       3.51920000      17.71778000      -0.81351162      -0.64190732      -0.68991042
Zn       2.92759000       4.86750000      23.56163000       1.16465471       1.07729369       0.76212359
Zn       2.99785000       1.77944000       4.35238000       0.10442083       0.71741805       1.25845669
Zn      -0.04943000       3.19869000      14.38443000      -0.16718168       0.38009970      -1.88841890
Zn       0.08782000       0.07605000      13.48357000      -0.72776157      -0.66189070      -1.00735390
Zn       2.91864000       1.70548000      23.02598000      -0.03351845       0.08342438      -1.33463230
Zn       0.10863000       3.61394000       3.50889000      -0.10133718      -0.43365053       0.92907651
Zn      -2.81068000       5.00318000       9.16968000      -0.55960808      -0.19805095       0.17221022
Zn       3.02395000       1.74252000      19.01316000      -1.84962248       0.90999354      -1.05125137
Zn      -0.04230000       3.48241000      28.27909000       0.76194941       0.58058637       0.75901587
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.91863696 magmom=72.0012736 free_energy=-553.91863696 stress="-0.043208816906486223 -0.001134221824490625 0.0007189975843142699 -0.001134221824490625 -0.03540029101890138 -0.002816099948922685 0.0007189975843142699 -0.002816099948922685 -0.034870690974197" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48512000       0.92730000      15.87857000      -1.22446405      -1.90517982       0.87111014
Cr       4.34965000       0.65095000      15.84617000       1.75362582       1.72571336       1.12604574
Cr       2.96779000       3.37979000      15.84270000       2.25838878      -0.22098547       0.54046196
Cr      -1.35228000       2.38481000      25.41119000      -2.19685523       3.94912878      -2.73371553
Cr       1.52625000       2.41204000      25.31333000      -0.08219594       2.11903237      -0.16401343
Cr       2.91514000       0.03891000      25.38127000       0.49362954      -1.68888200      -0.56556286
Cr       1.53607000       4.19057000       6.18945000      -1.28857427       1.42713124       1.03369460
Cr      -1.53820000       4.34711000       6.12670000       2.73211235      -1.92337713       1.25075087
Cr       0.02936000       1.83530000       6.26083000       0.22704896      -1.31570661      -1.07894227
Cr      -2.93874000       5.09853000      18.28973000       0.10803079      -0.81374454      -0.56061990
Cr       2.96918000       1.75836000      27.89208000      -0.43149848      -0.61228684      -2.75954304
Cr       0.00280000       3.32499000       8.59918000      -0.17938643       0.10865498      -0.16545577
Cr       0.05202000       0.13250000       3.91523000      -0.64778269       0.74463791      -1.15125745
Cr       2.86653000       1.58734000      13.42242000      -0.80031148      -0.36627351       0.43966112
Cr      -0.06963000       3.40723000      22.97115000       0.19570847       0.87277062       0.33644629
Cr      -0.14317000       1.78974000      20.67241000       1.97415702       1.56296986      -2.21303370
Cr       1.34210000       4.34615000      20.65095000       1.03201719      -0.53271057      -0.64813746
Cr      -1.58974000       4.28402000      20.72229000       0.19954783       0.46407658      -1.01150379
Cr       2.95661000       3.53416000       1.56266000       0.36202641       1.10722406      -0.48966556
Cr       1.45127000       1.11116000       1.56981000      -0.08294448      -1.42764242      -0.55907069
Cr       4.48535000       0.99776000       1.52912000      -1.20740476       0.47991370       0.93760485
Cr      -0.00397000       5.04223000      11.02830000       0.69756726      -1.14299441       0.09634126
Cr       4.41545000       2.44219000      11.15512000       1.55510686       0.71727191      -0.15573786
Cr       1.45184000       2.60029000      11.01904000       1.98184157      -2.64359140       0.47372382
O        1.21730000       0.79143000      19.53157000       1.27529023       0.28202330       0.12474723
O        4.58080000       0.81207000      19.44644000      -1.12197395       0.01860949      -0.04058553
O        2.82916000       3.54320000      19.66702000       0.75680015       0.05577193      -1.49319678
O        4.28710000       2.57334000       0.29393000       1.07736247       0.63700673       1.56699355
O        1.61993000       2.72950000       0.34361000       0.44205671      -1.25378733       0.43194011
O        2.93212000       0.16113000       0.50864000       0.16780975       1.20557371      -0.43588130
O        1.42552000       4.04809000       9.76507000      -0.64837178       1.30283426       0.57297297
O       -1.28606000       4.10295000       9.83779000      -0.10073193      -0.40501197       0.90564578
O        0.01711000       1.81414000       9.94566000      -0.54980186      -0.71692856      -0.80494048
O        1.59982000       0.74826000      12.06845000      -1.24664429       0.99795816       1.54791491
O        4.18394000       0.75876000      12.34240000       1.46494885       0.26853533      -0.86909220
O        2.95032000       3.16033000      12.27059000      -0.06848957       0.61141397       0.07524769
O       -1.44589000       2.60506000      21.84383000      -0.72168871       0.69976242       0.07414504
O        1.43852000       2.70673000      21.76850000      -1.46252767      -0.17269010       0.76736532
O       -0.06041000       5.03901000      21.77369000      -0.89334836       0.30858231       0.89108049
O        1.62802000       4.53048000       2.70589000       0.08129175      -0.10188606      -0.14251332
O       -1.63793000       4.55065000       2.57529000       1.09966495      -0.44852194       1.36048798
O        0.07804000       1.92770000       2.73309000      -0.70118206      -3.08951019      -1.07913769
O        1.42817000       0.83881000       5.12517000      -0.62057334       0.79348467      -0.30128950
O        4.60975000       0.85531000       5.16313000      -0.46509942      -0.29300800      -0.38608634
O        2.88065000       3.55688000       4.99205000       1.11195312       1.44875128       0.08754322
O        4.20384000       2.26041000      14.64430000       0.32045860       0.64301245       0.97826575
O        1.63848000       2.55466000      14.84243000      -0.72371958      -1.02205192      -1.64333736
O       -0.03441000       5.09735000      14.88765000      -1.21306143      -0.12063084      -2.16453938
O        1.19033000       4.17700000      24.25763000       1.89073819      -0.21637026      -0.49171288
O       -1.46707000       4.15757000      24.34684000       0.52825390       0.02705106      -0.69386640
O       -0.03166000       1.85903000      24.08724000       0.91064575      -1.88053792       0.91948265
O        5.76545000       0.21708000      21.50926000       0.38041308      -3.54204777       3.98920059
O        2.95583000       1.85424000       2.51335000       0.52601109      -0.12643253       0.86273425
O        0.12715000       3.26000000      12.12397000      -2.12986756       1.13170568       1.02828908
O        0.12120000       0.04472000       7.25181000      -1.27800523       0.27675131       0.43001134
O        2.90009000       1.57461000      17.03873000       0.70551963       0.74795307      -1.11874969
O        0.01197000       3.21154000      26.34881000       1.41687357       1.54552184       0.90399017
O       -0.02969000       0.11819000       0.57473000       0.81576588       0.50418021      -1.75431288
O        3.01804000       1.68025000      10.05666000      -0.45952136      -0.35914734      -0.05102500
O       -0.01919000       3.42230000      19.54787000      -0.99937348       0.64943449       0.44395422
O       -0.09065000       1.41074000      16.97035000       0.39812186       1.65034891      -0.36200395
O        1.71946000       4.20877000      17.00055000      -0.32780884       0.49701783       0.22491709
O       -1.54331000       4.36049000      16.88596000      -0.74608606      -0.48502919       0.82658130
O        3.10000000       3.20102000      26.58240000      -1.02658126      -0.02597675      -0.98690536
O        1.71281000       0.93549000      26.52132000      -1.27136187      -0.25649263       1.06359856
O        4.38294000       0.96353000      26.41135000      -0.53229882      -3.98170663       2.91726007
O        0.06344000       4.87660000       7.35635000      -0.45333003       0.09765068      -0.53821886
O       -1.39561000       2.69672000       7.17129000      -0.42836744      -0.45779887       1.83560454
O        1.38336000       2.63085000       7.39894000       0.77175093      -0.48767701      -0.19048644
Zn      -2.88910000       5.07187000      27.16402000      -0.05384419       0.00280015       0.16597214
Zn       3.04811000       1.46961000       8.20007000      -0.08171168       1.18859483      -1.47444503
Zn       0.07238000       3.56874000      17.59050000      -1.07286189      -1.40180230       0.66818070
Zn       2.88039000       4.93583000      23.48051000      -0.28154001       0.68381378       0.22071636
Zn       2.95873000       1.76549000       4.49754000       0.94018015      -0.97290890      -0.40453069
Zn      -0.06683000       3.18854000      14.35789000      -0.28125208       0.79941968      -1.43578934
Zn      -2.92075000       5.09324000      13.32546000      -0.11954801      -0.38310177      -0.47569322
Zn       2.85300000       1.72867000      22.94948000       0.11566451      -0.21378806      -0.65964434
Zn       0.10146000       3.57325000       3.51661000      -0.62021208       1.60364409       1.44877431
Zn      -2.85483000       4.98990000       9.25263000      -0.36933098       0.77376895      -0.17658082
Zn       2.93224000       1.68062000      19.02458000      -0.74950035       0.37793171      -0.10932068
Zn       0.04574000       3.53780000      28.28063000      -0.80734901      -0.10121409       0.10068667
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.85838409 magmom=71.9986962 free_energy=-553.85838409 stress="-0.03722920747040775 -0.0010034780367705139 -0.0003716176620419701 -0.0010034780367705139 -0.029441311480657456 0.0013887008280579198 -0.0003716176620419701 0.0013887008280579198 -0.03660033215359224" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39325000       0.82647000      15.86058000       0.57159933       0.90602540      -1.39747833
Cr       4.29603000       0.64745000      15.86478000       1.09567301       0.54140179       0.36077517
Cr       3.04811000       3.39018000      15.79225000      -1.39293255      -1.52480163      -0.55987307
Cr       4.42459000       2.50664000      25.41402000       0.66980590       0.04220811      -1.15650991
Cr       1.43732000       2.50938000      25.29059000       2.83341756       0.13142557       2.15659248
Cr       2.87530000       0.06868000      25.44338000       0.90483053      -0.92431973      -1.06900596
Cr       1.58869000       4.26467000       6.26202000       0.98994270       0.30575253       0.33093539
Cr      -1.36458000       4.18665000       6.19900000       0.28742591       2.63811825       0.82453933
Cr       0.03669000       1.85282000       6.24855000       0.91239884      -2.37464962      -0.31869670
Cr      -2.80359000       5.05881000      18.27342000      -1.99817947       0.73382802       0.09177894
Cr       2.95669000       1.69521000      27.86192000       0.95052858       1.49088131      -0.61242863
Cr      -0.00136000       3.37657000       8.53596000       0.91756562      -0.60782277       3.27902440
Cr      -0.04032000       0.09162000       3.90971000       2.26138396      -0.06083763      -0.32443619
Cr       2.86482000       1.61544000      13.36035000      -0.16141655      -0.36358173       1.83840280
Cr      -0.06113000       3.41021000      22.93027000      -1.11536516       0.81087319       4.01785224
Cr      -0.12666000       1.83500000      20.66696000       0.36248374      -2.96527257      -0.97841242
Cr       1.37868000       4.32913000      20.67071000      -1.12251649      -0.27724384      -1.07088642
Cr      -1.66661000       4.13979000      20.71666000       1.96363896       2.09842480       0.84949471
Cr       3.11188000       3.55000000       1.54630000      -1.14168258       1.27337975      -0.51252073
Cr       1.56340000       1.13809000       1.50672000      -1.54503564      -3.33156832       2.78185039
Cr       4.54262000       1.01062000       1.66668000      -1.96881601      -0.40371792      -3.42262771
Cr       0.05502000       4.97592000      11.03646000      -1.13441886       1.82502988       0.24199093
Cr      -1.41245000       2.48461000      11.22715000       1.50971424      -0.25096514      -2.23023127
Cr       1.55167000       2.57889000      11.07470000      -1.24499988      -1.33632102      -1.62731485
O        1.34924000       0.68197000      19.66690000      -1.25897432       0.79200902      -0.65028330
O        4.57156000       0.79718000      19.44941000      -0.07267801      -0.11402875      -0.06188160
O        2.89270000       3.51401000      19.57818000      -0.99598614      -0.18150009      -1.25561035
O        4.39112000       2.60329000       0.42431000      -0.00312129       0.04166698      -0.52101856
O        1.62115000       2.57187000       0.38071000       0.72652915       2.18015514      -0.86621541
O        3.03613000       0.26413000       0.54804000      -0.17735120      -0.46663998      -0.62182474
O        1.27275000       4.13715000       9.82675000       1.96921822      -0.27082182       0.18897324
O       -1.28198000       4.07412000       9.89973000      -0.75616110       0.27815726       0.26860749
O       -0.11101000       1.84745000       9.85368000       1.58075576      -0.51624665       0.79116242
O        1.60049000       0.84325000      12.08005000      -0.79280742       0.32103795       0.78392165
O        4.20800000       0.69517000      12.33549000       1.53950022       1.38890661      -0.48310930
O        3.01380000       3.24659000      12.16782000      -0.46732839       0.10496050       1.32038215
O        4.36078000       2.57406000      21.86167000       0.54340969      -0.08687042      -0.27798617
O        1.20697000       2.65193000      21.79882000       1.56685954      -0.27204969      -0.77450933
O       -0.08587000       5.01270000      21.83814000      -0.33679715       0.03614912      -0.44136515
O        1.59036000       4.51594000       2.70271000      -0.03761273      -1.58159050       0.16751849
O       -1.62502000       4.60359000       2.66275000       1.48245846      -0.83162248       0.34520851
O       -0.02196000       1.69907000       2.66590000       2.34034463       1.59122872       2.01999941
O        1.40289000       0.71485000       5.12469000      -0.00932802       1.29062140       0.10922996
O        4.63141000       0.75082000       5.18952000      -1.27150570       1.60552483       0.29775201
O        3.12804000       3.58880000       5.18171000      -1.95179152      -0.76111819      -1.39538913
O        4.27982000       2.15870000      14.74342000      -0.34144021       2.00445256      -1.21192732
O        1.56102000       2.41226000      14.78949000       0.45205077       1.02366054      -1.04062709
O        2.76600000       0.10762000      14.62260000       0.53190367      -1.30636443       0.83665780
O        1.27031000       4.15572000      24.31671000       0.38883424       0.94812835      -1.56064834
O       -1.37682000       4.31799000      24.22345000      -0.13751117      -1.42920110       0.23244795
O        0.13579000       1.76023000      24.23853000      -2.66678364      -0.11093852      -1.23928274
O        2.79646000       5.06121000      21.69230000       0.43643040       1.08678264      -2.48987090
O        3.13272000       1.93072000       2.63898000      -1.29993198      -0.29526192       0.33301136
O        0.11568000       3.44679000      12.20699000      -0.51680828      -1.77000293       0.03832811
O        0.17498000       0.13852000       7.33091000      -0.62414577      -0.72088739      -0.30870477
O        2.92744000       1.71932000      16.86335000      -0.16327188      -0.97027359       1.06411753
O        0.03814000       3.39991000      26.30486000      -0.66086227       0.07810364       1.54567362
O        0.04057000       0.14929000       0.44047000       0.46779429      -0.09777463       0.87757869
O        3.13715000       1.65777000      10.07948000      -1.44286320      -0.04482695      -0.14834491
O       -0.14439000       3.50525000      19.59295000       0.45612908      -0.61771813      -0.30391487
O       -0.03802000       1.55586000      16.90885000      -0.48182392      -0.56113996       1.07054261
O        1.76448000       4.21079000      17.05379000      -0.34181302       0.46242055      -0.34134656
O       -1.56338000       4.32227000      16.86293000       0.17199109      -0.27958528       1.30420230
O        3.04462000       3.17414000      26.48155000      -1.44926903       0.94513510       0.31416829
O        1.63755000       0.93334000      26.61644000      -0.96327661       0.11288678      -0.54368662
O        4.26693000       0.88883000      26.68547000      -0.53176202       0.46447381      -2.00554232
O        0.12223000       4.89697000       7.36379000      -0.46415527       0.41115568      -0.61281024
O       -1.36003000       2.71707000       7.43018000      -0.36218591      -1.64352261      -1.12630088
O        1.47239000       2.68982000       7.31812000      -0.19568383      -1.12935753       0.75360366
Zn       2.87775000       5.09993000      27.09917000       1.35343891      -0.73222531       0.55646172
Zn       3.11071000       1.47857000       8.15575000      -0.36775400       1.55161663      -0.07485514
Zn       0.03464000       3.53981000      17.49415000       0.19672669      -1.52434295       1.11596766
Zn       2.83123000       5.03928000      23.43513000       0.26195761       0.03286659       3.94609607
Zn       2.96347000       1.71184000       4.62805000       0.26205547       0.06357424      -0.60111265
Zn      -0.09946000       3.21902000      14.24889000       0.31128521       0.87114461      -1.02600152
Zn       2.91406000       4.97936000      13.15209000       0.20904740       0.42963788       0.44357953
Zn       2.79033000       1.73967000      22.85170000       0.09673643      -0.50963180       0.45342051
Zn       0.06085000       3.58877000       3.59363000      -0.55181193      -0.18619394       0.08623746
Zn       2.98321000       5.01537000       9.32805000       0.13055854       0.51047711      -0.23369759
Zn       2.79569000       1.64460000      19.01684000       1.36931563       0.30576903      -1.00940456
Zn       0.09863000       3.59397000      28.30206000      -0.55577986      -0.29721242       0.46960727
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.57321017 magmom=72.0074527 free_energy=-552.57342655 stress="-0.041879050454809885 -0.0003865569762781549 0.0010933364007804152 -0.0003865569762781549 -0.044378105039691265 -0.003974519161826481 0.0010933364007804152 -0.003974519161826481 -0.036364572309704746" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30573000       0.75480000      15.81863000       1.58377315       1.01138553      -1.84527699
Cr       4.33510000       0.70637000      15.92463000       0.49864775       1.05775392      -1.96889019
Cr       3.05386000       3.33407000      15.74858000      -2.44007616       0.57013076       0.44348454
Cr       4.29838000       2.67199000      25.33946000       0.85969287      -1.66182628       0.60057806
Cr       1.46631000       2.61650000      25.37075000      -2.57765647      -1.68765811      -1.01839518
Cr       2.87779000       0.05225000      25.45036000      -0.88646944       0.65271158      -1.61240081
Cr       1.68391000       4.34609000       6.36400000      -0.54881416      -2.07351236      -1.08269735
Cr      -1.20285000       4.14109000       6.30168000      -4.09812096       1.12367764      -2.58918619
Cr       0.09818000       1.72982000       6.22766000       0.02125645       0.60588468       1.05213047
Cr      -2.78204000       5.06617000      18.26366000      -3.22793380       0.42774801      -0.29577873
Cr       2.95382000       1.70979000      27.83898000      -0.53441314       2.18534046      -0.39218229
Cr       0.04007000       3.39140000       8.66464000       0.87896902      -0.72332778       0.30151659
Cr      -0.00776000       0.04516000       3.88748000       1.03995431      -0.77910399       1.77376590
Cr       2.86177000       1.61780000      13.40461000       1.61840053       0.13469015      -0.21301981
Cr      -0.09424000       3.44734000      23.08066000       1.23008884      -2.20411045      -3.12213719
Cr      -0.08327000       1.71651000      20.57826000      -1.41220167      -0.27004206       1.45395877
Cr       1.35695000       4.29205000      20.60773000      -1.30095860      -1.18124428      -0.42944141
Cr      -1.65292000       4.12539000      20.69356000       1.40177152       0.03427000      -0.59441787
Cr       3.20440000       3.62690000       1.48975000      -1.97868447      -1.07284032       2.19289309
Cr       1.62957000       1.00772000       1.52882000      -0.66330901       1.20365373       2.80186879
Cr       4.50512000       1.02171000       1.63804000       1.76448969      -0.70054424       0.95603773
Cr       0.06095000       5.00921000      11.07774000      -0.50947639       1.67891738       1.24320278
Cr      -1.27339000       2.51117000      11.16764000      -3.29985485      -0.93250755      -1.18172561
Cr       1.59914000       2.47085000      11.05009000      -1.54431751       1.43670806       0.02488271
O        1.27102000       0.71274000      19.68420000       0.60105904      -0.05749792      -1.34461078
O        4.52318000       0.74436000      19.45366000      -0.35105451       0.26782502      -0.67224309
O        2.82315000       3.48922000      19.30768000       0.14672542       0.24724647       1.84048221
O       -1.38487000       2.64480000       0.51791000      -0.31371790      -0.56130851      -1.65851942
O        1.76440000       2.71713000       0.36299000       0.03764733      -0.41804124       0.50925331
O        3.10754000       0.30704000       0.48752000      -0.32459590      -0.48182946      -0.28710511
O        1.38755000       4.16164000       9.94944000      -0.31941128      -0.57971405      -0.37066444
O       -1.33296000       4.08057000      10.02007000       0.27515820       0.90709680      -1.23531415
O        0.05705000       1.83932000       9.90306000       0.63014995      -0.01172574       0.00976010
O        1.48440000       1.02256000      12.24556000       0.33182020      -2.31198803      -0.61236961
O        4.43383000       0.91888000      12.18563000      -1.13276463      -1.39330595       0.86044404
O        3.00150000       3.21501000      12.22117000       0.47364565      -0.77840748      -0.35784058
O       -1.46986000       2.58284000      21.82202000      -0.39837378      -0.88065913       0.67532810
O        1.14754000       2.61192000      21.75102000       1.50070099       0.09704092       0.73276126
O       -0.17085000       4.92348000      21.84043000       0.34544913       0.95564796      -0.19930647
O        1.64244000       4.32699000       2.69524000       0.13979779       1.00611204      -0.68420598
O       -1.42614000       4.51172000       2.80404000      -0.71258833       0.06109763      -1.51843394
O        0.17017000       1.56208000       2.79834000      -0.88898371       1.85611526      -1.23873166
O        1.32271000       0.80813000       5.15418000       1.44068614      -0.85974703      -0.24741669
O        4.53392000       0.85598000       5.26424000       1.52498207      -0.88019658      -0.64967816
O        3.10095000       3.63428000       5.20378000      -0.13913328      -0.90636427      -0.10896166
O        4.24532000       2.35205000      14.68339000       0.65268463      -1.06052827      -0.19249405
O        1.58653000       2.39765000      14.56674000      -0.79842341       0.68186991       1.81165438
O        2.68308000       0.04660000      14.49753000       0.89337522      -0.13725263       2.29635939
O        1.36289000       4.19476000      24.16149000      -1.43434951      -0.31460431       1.63767162
O       -1.28671000       4.22437000      24.21163000      -2.82733060       1.17575261       1.52787236
O       -0.07868000       1.76092000      24.29870000      -0.06314129       1.75844228       0.58978811
O        2.84718000       4.92185000      21.58532000      -0.84205328       2.06048408       2.01912046
O        3.09940000       1.92401000       2.70614000      -0.09671112      -0.47065606      -1.22682066
O       -0.01410000       3.38383000      12.18720000       2.02238920       0.52401949      -0.46813770
O        0.09854000       0.10074000       7.32362000       1.12077321      -0.53262875       1.44307539
O        2.92031000       1.68296000      16.78048000      -0.93214427      -0.86024034       1.48865826
O       -0.00177000       3.59572000      26.47242000      -0.71677918      -2.01074220      -1.15895021
O        0.20383000       0.17539000       0.49303000      -0.86010010       0.04758935      -0.72157701
O        3.01066000       1.61575000      10.10771000       0.86070716      -0.19735734      -1.35221252
O       -0.18137000       3.45631000      19.63576000       0.97943833      -0.62185498      -1.52384799
O       -0.05034000       1.57013000      16.96994000       0.03485071      -0.90052966       0.14217259
O        1.77814000       4.29822000      16.98126000      -1.25155272      -0.93411349       0.17376409
O       -1.61239000       4.23423000      16.99495000       0.49058025       0.78259440      -0.93414521
O        2.78370000       3.28820000      26.40534000       2.41736065       0.38475787       1.60493898
O        1.42880000       0.99980000      26.60398000       1.64310396       0.14807879      -0.74137899
O        4.07165000       0.77327000      26.66166000       2.00605034       1.85066739      -1.06321987
O        0.11794000       4.91997000       7.29632000       0.74961538       0.63182106       2.60048351
O       -1.24324000       2.52481000       7.47360000       0.44829385       1.10794918      -0.45424857
O        1.47560000       2.59281000       7.33569000       0.17448069       0.54919409       1.03895791
Zn       2.80012000       5.09613000      27.06162000       0.68955989       0.42889379       1.28857753
Zn       3.14685000       1.57019000       8.10457000      -1.28606645       0.58047515       0.34185755
Zn       0.00401000       3.42996000      17.46201000       1.22639479      -0.21347448       1.26554978
Zn       5.75225000       0.04341000      23.54250000       1.36772670       0.02818512      -0.85185838
Zn       2.97866000       1.65700000       4.72541000      -0.98762284       1.52936788      -1.17882266
Zn      -0.11622000       3.29566000      14.08618000       0.76156751      -0.26178047       0.03719944
Zn       2.85872000       4.89163000      13.01050000       0.38800638       1.56651489       1.07027193
Zn       2.73181000       1.72639000      22.77426000       0.31245482      -0.05982878      -0.32457696
Zn      -0.00601000       3.60362000       3.70143000       1.00908791      -1.02714140       0.49139643
Zn       2.92684000       5.07304000       9.38985000       1.12248451       0.29550263      -0.76492256
Zn       2.72424000       1.62119000      18.95656000       1.75145933       0.10246038      -1.03274680
Zn       0.12214000       3.63356000      28.34922000       0.23187329      -0.74543836       1.17919330
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.36772129 magmom=72.0090458 free_energy=-554.36772219 stress="-0.0343128416781851 -0.002896004223106936 -0.0023977467278743607 -0.002896004223106936 -0.04591561759481143 7.646032803726205e-05 -0.0023977467278743607 7.646032803726205e-05 -0.03365535065233677" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29498000       0.73706000      15.72711000       0.75594604       0.03889186       0.85747572
Cr       4.40617000       0.82205000      15.90559000      -2.08799045      -1.32970490      -1.30172613
Cr       2.91383000       3.29908000      15.74896000      -0.28966760       0.98811538       1.48785307
Cr       4.19182000       2.73214000      25.33727000      -0.39492802      -1.70839686       2.07457954
Cr       1.39838000       2.64069000      25.44023000      -1.63529628       0.57744554      -0.96098584
Cr       2.82544000       0.08181000      25.39723000      -0.20221192       0.21778499      -0.40134852
Cr       1.73783000       4.30628000       6.42784000      -2.61755783      -1.12061414       0.32959449
Cr      -1.24135000       4.18827000       6.29201000      -0.02999503       0.22811725       0.57011077
Cr       0.18599000       1.62548000       6.28762000       0.55240803       1.55921120       1.33128519
Cr       2.95489000       5.09598000      18.24341000      -1.40895883      -2.18989893      -1.31756168
Cr       2.91831000       1.83520000      27.81559000       1.64736121      -0.05167368      -1.23245647
Cr       0.14190000       3.36752000       8.83395000      -0.20917743       1.11599401      -3.23343695
Cr      -2.84182000       5.08252000       3.92894000      -0.24895907       0.89088531      -1.21123514
Cr       2.92850000       1.60958000      13.46825000      -0.17623097      -1.03110456       0.38683456
Cr      -0.10520000       3.39976000      23.09431000      -0.57498678       0.57108965      -2.61771123
Cr      -0.11957000       1.56443000      20.54541000      -0.20250170       2.23843602       1.86329497
Cr       1.27345000       4.19844000      20.51589000       1.31396240       0.08273442       1.42404907
Cr      -1.57787000       4.14435000      20.61580000      -0.82093628      -0.48642891       0.39700144
Cr       3.18736000       3.62784000       1.51293000       0.10813543      -1.90420729       0.16389897
Cr       1.67138000       0.94034000       1.65709000      -0.77603824       1.74787993      -1.31693905
Cr       4.54251000       1.00568000       1.59805000       1.95374045      -0.43264155      -0.26440833
Cr       2.98292000       0.03429000      11.18337000       0.13602155      -2.07011878      -1.66375465
Cr      -1.30374000       2.49529000      11.02814000      -1.60053279       0.23813330       0.08238824
Cr       1.58883000       2.42325000      11.04111000       1.58898439       1.07185636       2.01331602
O        1.25694000       0.72151000      19.47831000      -0.06275657      -0.91508156       0.44078005
O        4.41837000       0.70520000      19.37645000       0.11697105       0.20089158       0.04766669
O        2.76052000       3.52794000      19.36459000       0.84008473      -0.61996827       0.78270764
O       -1.37395000       2.56724000       0.38266000      -0.98526779       0.12738403      -0.06459467
O        1.88607000       2.83989000       0.43877000      -2.28222405      -1.55531693      -0.53679395
O        3.11865000       0.29576000       0.40561000      -0.33307402       0.76806249       0.34336899
O        1.45500000       4.07676000      10.03164000       0.32239857       1.48122066      -0.01563121
O       -1.28502000       4.20442000       9.95740000       0.20705320      -0.71523148       0.32385877
O        0.26802000       1.83571000       9.95032000      -3.00085780      -1.36221786      -1.02967832
O        1.51869000       0.85471000      12.28167000       0.72259022      -0.55638332      -0.53212283
O        4.42269000       0.94509000      12.15234000      -0.35010470      -1.14235281       0.90606253
O        3.06462000       3.01578000      12.18931000       0.07799818       2.04215490      -0.24803513
O       -1.39090000       2.50812000      21.83550000      -0.71281248       0.29659959      -0.62620492
O        1.30529000       2.60577000      21.76009000      -1.49835805       0.08355259      -0.27331635
O       -0.18175000       4.89032000      21.75845000       0.39211798       0.36465884      -0.10576254
O        1.77830000       4.36446000       2.61640000      -0.85944195       0.95446864       1.38912864
O       -1.40275000       4.43525000       2.69450000       0.49101614      -0.30325398       1.27130203
O        0.24476000       1.66979000       2.81685000      -1.16423971      -0.23411487       0.33800522
O        1.44920000       0.72226000       5.18087000       0.38403131      -0.93871526       0.29539567
O        4.71547000       0.80144000       5.23115000      -0.80584212      -0.44937294      -0.29576680
O        3.01573000       3.54341000       5.20473000       1.17808037      -0.14991272       0.18207440
O        4.25074000       2.39799000      14.61599000       0.71450253      -0.09943355       0.78614239
O        1.56005000       2.45209000      14.63164000      -0.57285612      -0.50325266      -0.32326052
O        2.79500000       0.02829000      14.79885000       1.37450346       0.11647095      -1.69876237
O        1.17854000       4.20218000      24.28729000       1.14784878       1.15213666      -0.34241624
O       -1.56452000       4.29301000      24.35334000       0.49667895       1.29437010      -1.75978462
O       -0.29734000       2.04519000      24.40729000       2.65981176      -2.80615215      -1.64613378
O        2.79178000       5.09583000      21.60621000       0.27366621      -1.15044096       0.65707022
O        3.06259000       1.80865000       2.54220000       1.20931125       0.82704190       2.28770638
O        0.15294000       3.34963000      12.00301000      -0.65383530       0.25259166       1.37957785
O       -2.75531000       5.06110000       7.47041000       0.58052574       0.33681295      -0.75942478
O        2.77587000       1.48298000      16.87752000       0.56099041       1.28597598      -0.72181075
O       -0.17332000       3.47249000      26.42075000       0.58155171       0.58614878       0.81724633
O        0.23160000       0.19264000       0.54876000      -0.73350728       0.25990063      -1.06663910
O        2.98021000       1.55774000       9.96841000       1.28654386       0.79861833       0.73303817
O       -0.05579000       3.25288000      19.47365000      -1.08977800       0.40620205       0.17405396
O       -0.07062000       1.41537000      16.99275000       0.52897452       1.63198331      -0.66473174
O        1.58029000       4.25492000      16.87637000       0.59490313       0.06939775       0.27481486
O       -1.64034000       4.26645000      16.93287000      -0.43901324      -0.39854234      -0.29474438
O        2.84143000       3.39386000      26.52895000      -0.52997421      -1.22115955       0.13246606
O        1.53511000       1.08386000      26.45563000      -0.37276314      -1.13976860       1.91815869
O        4.18208000       1.02413000      26.38911000       0.00701175       0.09159698       1.05778345
O        0.18338000       4.93394000       7.57199000       0.04728359      -0.35349607      -1.14045638
O       -1.04009000       2.56590000       7.37386000      -1.92285973       0.30184075       1.20085434
O        1.46318000       2.59993000       7.50969000       0.82670582       0.30589958      -0.53997868
Zn       5.71695000       0.01359000      27.08656000       0.66532507       2.28614459       1.07416239
Zn       3.12315000       1.70923000       8.06758000       0.06639546       0.15353004      -0.41676073
Zn       0.03109000       3.29779000      17.49850000      -0.49467843       0.56201730       0.31620270
Zn       5.77887000       0.16909000      23.65770000      -0.75299160       0.01414589      -0.54061418
Zn       2.96525000       1.67341000       4.75920000       1.40690500       0.45026972      -1.75513882
Zn      -0.09591000       3.37025000      13.91331000       0.33391598      -0.02734506       0.82643065
Zn       2.82509000       4.87490000      12.92928000       0.73082429       0.25459433       1.15094928
Zn       2.69101000       1.70549000      22.69812000       1.18208461      -0.33826196       0.54905107
Zn      -0.02805000       3.56533000       3.84421000       1.06316857      -0.84489253      -0.58779465
Zn       5.87558000       0.03675000       9.41845000       0.65396124      -0.84988615      -0.24113875
Zn       2.74926000       1.60897000      18.83437000       1.19786467       0.91954377      -0.28464118
Zn       0.15758000       3.62979000      28.44307000      -0.08695413      -1.24345934      -0.60403914
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.01451476 magmom=72.0221572 free_energy=-552.01644123 stress="-0.04308478804011768 0.003574422623356258 0.002483307488292617 0.003574422623356258 -0.0536509866228601 0.0006494196310769185 0.002483307488292617 0.0006494196310769185 -0.04699459645242128" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33819000       0.70999000      15.70393000       0.16551177      -0.43338872      -0.02086844
Cr       4.39138000       0.85956000      15.84485000       0.20198384      -0.86150206       0.09598651
Cr       2.75683000       3.32805000      15.83447000       1.84718513      -0.75078653      -1.83146659
Cr       4.10073000       2.70872000      25.42068000       2.47326417       2.05019518      -3.37108245
Cr       1.24283000       2.66662000      25.48250000       0.92727795       0.18359356      -0.36433136
Cr       2.75003000       0.13999000      25.33649000       0.52359068       0.35806545       0.77921903
Cr       1.64883000       4.19690000       6.48693000       1.24103098       1.81695192      -2.44220497
Cr      -1.28296000       4.21376000       6.32048000       2.08733104      -2.31222928       1.67246839
Cr       0.27643000       1.62918000       6.42891000      -1.03226933      -0.33980748      -1.09464807
Cr       2.71866000       5.03034000      18.18346000       2.63497104      -0.86511317      -0.76877394
Cr       2.95022000       1.94109000      27.75879000      -0.11055846      -3.43663744       0.89143956
Cr       0.23043000       3.39830000       8.82616000      -1.26528862       0.43517183      -0.48128361
Cr      -2.73838000       5.05974000       3.92351000      -0.42320181       1.13813510       0.64067415
Cr       2.99508000       1.56455000      13.53937000      -0.54228161       0.82074872      -0.80527001
Cr      -0.13190000       3.37341000      22.94151000      -0.32447020       1.92068900       1.14610343
Cr      -0.18191000       1.51443000      20.58265000       0.86461354       1.04915051      -0.00751523
Cr       1.26449000       4.11062000      20.48837000       1.09586578       1.12730004       1.74899870
Cr      -1.55346000       4.14517000      20.54085000      -0.98579534      -0.07440225       0.90014332
Cr       3.14151000       3.51374000       1.53886000      -0.22764391       0.43803335      -0.09197955
Cr       1.68441000       0.99192000       1.71172000      -0.33225933       0.32890368      -1.85357154
Cr       4.66857000       0.98099000       1.54657000      -1.74273404       0.91906607      -0.06043969
Cr       2.98292000       0.03119000      11.17148000       2.10328203      -3.32374930      -2.61583995
Cr      -1.43036000       2.49015000      10.90345000       2.35123126       0.99773646       3.39018404
Cr       1.62905000       2.44249000      11.11582000      -0.89873712      -0.09810596      -0.38818564
O        1.25800000       0.56325000      19.33033000      -0.75159297       0.87250432       0.42649021
O        4.35243000       0.68038000      19.35394000       0.37418428      -0.33280269       0.61203966
O        2.82596000       3.46040000      19.56509000      -0.38401421      -0.66234600      -2.14770105
O        4.36770000       2.52058000       0.26301000       1.32226117       1.59972841       1.52470956
O        1.69485000       2.67726000       0.46855000       0.73630320      -0.71374497       0.94007206
O        3.08141000       0.39104000       0.39800000       0.06538221      -1.19526567       0.40419398
O        1.49924000       4.15490000      10.10450000       0.41278486      -0.25142793      -0.62155146
O       -1.16460000       4.17955000       9.93911000      -1.35288320      -0.02039164      -0.35840839
O        0.05575000       1.79573000       9.91693000       1.27807003       0.78366672       0.34506019
O        1.66789000       0.64673000      12.24564000      -1.91126461       2.25323251       1.09746169
O        4.29939000       0.78581000      12.29270000       0.96022980       1.26133949      -0.23395411
O        3.11930000       3.08973000      12.14190000      -0.69885175       0.33094021       0.89485192
O       -1.41052000       2.52017000      21.73718000      -1.11893702      -0.02155410       0.04415532
O        1.17211000       2.62416000      21.73373000       0.48769541      -1.40281389      -0.06091252
O       -0.13179000       4.87329000      21.64786000      -0.12381470       0.79700863       0.25482754
O        1.84517000       4.56801000       2.71229000      -1.15105225      -2.24919244      -0.19797200
O       -1.39901000       4.39359000       2.69418000       0.96111000      -0.37440480       0.20872528
O        0.12728000       1.68049000       2.82086000       1.13994780       0.08334905       0.50364155
O        1.63020000       0.53364000       5.20560000      -0.45752227       2.97469110      -0.44717478
O        4.84603000       0.64793000       5.20759000      -1.12773708       1.17040087       1.54009552
O        3.12499000       3.49969000       5.26756000      -0.17775871       0.04076565      -0.02398606
O        4.31537000       2.38902000      14.69055000      -0.21739460       1.28938255      -0.29185275
O        1.48987000       2.39128000      14.68264000       0.04580378      -0.11885003      -1.28902144
O        3.04939000       0.09139000      14.81122000      -2.01126555      -1.35494541      -2.24007275
O        1.13377000       4.33127000      24.36764000       0.84017293      -0.84719658      -1.70321352
O       -1.63872000       4.45809000      24.31411000       1.43995728      -2.09784255      -0.19326204
O       -0.14546000       2.01131000      24.29107000      -0.85094274       1.08283743       0.46767817
O        5.72611000       0.00198000      21.71126000       0.20196674      -1.44187844      -0.70036649
O        3.20827000       1.79420000       2.65505000      -0.64718355       0.59645153       0.51268138
O        0.21604000       3.37359000      12.01152000      -1.32624366      -0.67300376      -0.30530223
O       -2.58546000       4.97891000       7.45819000      -1.79294673       1.06542219       0.20166305
O        2.73448000       1.52043000      16.80104000       0.91265982       1.19047167       0.25685612
O       -0.24196000       3.44864000      26.41027000       0.28622670       1.30652321       1.12169359
O        0.12913000       0.19969000       0.46831000       1.11704315      -0.93014794       0.75605294
O        3.15234000       1.63041000       9.98751000      -2.21468228      -0.41255154      -0.96141886
O       -0.09374000       3.14387000      19.43839000      -0.57374972       0.88185784       0.53631746
O       -0.02141000       1.45994000      16.87382000      -0.38152872      -0.59773785       0.68093866
O        1.48153000       4.24071000      16.82427000      -0.77757126       0.80925925       1.53649832
O       -1.76502000       4.24579000      16.78869000       0.39652660      -0.60626512       1.71173094
O        2.83208000       3.38385000      26.63105000      -1.67955039       1.79764581      -1.17850429
O        1.59007000       1.02579000      26.57971000      -1.18252935       0.77551725       0.27064400
O        4.31587000       1.18566000      26.36106000      -1.59398099      -2.70681436       1.66405925
O        0.26375000       4.87984000       7.62811000      -0.60622864       1.86567249      -1.24734921
O       -1.09886000       2.67295000       7.44980000       0.11422440      -1.54854299       0.43219851
O        1.53459000       2.67944000       7.57566000      -0.35136626      -1.44972272      -0.21828343
Zn       5.72386000       0.14554000      27.16522000       0.87780706       0.56230595      -0.10278993
Zn       3.10637000       1.84667000       8.01949000       1.54952933      -1.55263367       0.56494380
Zn       0.03781000       3.20089000      17.54790000      -1.11244919       1.24186016      -0.35524254
Zn      -0.14789000       0.29626000      23.72327000      -1.47092882      -1.84727759      -1.35959467
Zn       3.01094000       1.71209000       4.70425000       1.54181247      -0.57644898      -1.35605641
Zn      -0.05790000       3.43434000      13.79621000      -0.17085439      -0.43036340       2.92287099
Zn       2.83325000       4.87895000      12.91686000       0.93361142       0.23567758       1.46935212
Zn       2.70725000       1.67116000      22.65114000       0.57881813      -0.01185617       0.32869404
Zn       0.00952000       3.47925000       3.97354000       0.55133450      -0.48088188      -0.99211087
Zn       0.01405000       0.05280000       9.42047000       0.95568059      -1.85687148      -0.55125661
Zn       2.82879000       1.64077000      18.70209000      -0.71597772       0.22379033       0.75545584
Zn       0.17940000       3.57238000      28.51353000      -1.78023973       0.58545571      -0.91705130
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.62419763 magmom=72.0036008 free_energy=-552.62419831 stress="-0.03083810200983305 -0.0035598695836368552 0.0004841242906245259 -0.0035598695836368552 -0.038914786322913744 -0.0014931491565552124 0.0004841242906245259 -0.0014931491565552124 -0.0373937629673344" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38353000       0.65188000      15.71363000       0.00444724      -0.34123613      -0.39949578
Cr       4.37809000       0.82042000      15.81052000      -0.15112323       0.22034042      -1.70286822
Cr       2.69969000       3.36180000      15.84716000       0.75509700       0.50577765      -3.14103291
Cr       4.12871000       2.75790000      25.41208000       0.92006440      -0.07132669      -0.55033297
Cr       1.14621000       2.71522000      25.53219000       1.57555198       1.12283752      -0.85526595
Cr       2.71883000       0.22198000      25.33582000       0.83730529      -1.26683723      -0.01524919
Cr       1.61346000       4.18550000       6.41067000       1.86741065       0.89553726      -1.26441868
Cr      -1.20501000       4.13357000       6.43185000      -0.40584850       1.96685637      -1.10432112
Cr       0.29598000       1.62619000       6.50024000      -1.50578312      -0.82783619      -2.20300254
Cr       2.62701000       4.91957000      18.11233000       3.56888583       0.99353584       2.22454169
Cr       2.99268000       1.90186000      27.72681000      -1.97360015      -0.32035419       2.82653989
Cr       0.24006000       3.46865000       8.75484000      -0.76809301      -0.64267203       0.23669503
Cr      -2.68317000       5.10652000       3.94825000      -0.69506864      -0.32191670       1.47227411
Cr       3.02354000       1.58269000      13.54114000      -1.01200958       2.02382219      -2.52578760
Cr      -0.17571000       3.45683000      22.83619000      -0.04366348       0.42433765       1.51440515
Cr      -0.20229000       1.51093000      20.59620000      -0.15986221      -0.19231001      -0.71012682
Cr       1.34550000       4.08364000      20.53529000      -0.45403134      -0.33103756       0.58228632
Cr      -1.61009000       4.14634000      20.50666000      -0.91813681       0.26535895       0.24071473
Cr       3.08496000       3.42062000       1.55495000       0.02687143       2.74703739       2.16566704
Cr       1.68019000       1.03611000       1.66725000       0.19859210      -4.30610785       2.27441788
Cr       4.70448000       0.99207000       1.51680000      -1.79699136      -0.36776458       2.28026411
Cr       0.12120000       4.96778000      11.03798000      -1.00865875       3.20819873       1.67116028
Cr      -1.44877000       2.53368000      10.97441000      -0.11537598      -1.58462481       1.37333843
Cr       1.61576000       2.46293000      11.17792000      -1.43443715      -0.79631927      -1.42745643
O        1.09152000       0.53999000      19.30876000       0.56902051       1.36592956      -0.08735299
O        4.36478000       0.60701000      19.44996000      -0.51816186       0.15141207      -0.98230839
O        2.82943000       3.32153000      19.42170000      -0.96912503       1.61576016      -0.11839907
O       -1.51573000       2.67919000       0.37516000       0.11712024      -1.55567039      -0.78885041
O        1.60513000       2.43472000       0.56456000       0.65237931       3.58969723      -2.41251064
O        3.08555000       0.33439000       0.46667000       0.91336596       0.20017457      -0.67161603
O        1.55809000       4.15532000      10.05826000      -0.13625096      -0.37620951      -0.54597147
O       -1.22812000       4.10693000       9.89335000      -0.24973407       0.95257545      -0.43806830
O        0.05841000       1.90744000       9.94426000       0.96747271      -1.31519376      -0.51722657
O        1.62711000       0.83408000      12.28198000       0.29995349      -0.74351392      -0.78291176
O        4.30017000       0.84184000      12.33849000       1.02806524      -0.21730087      -1.77026629
O        3.04109000       3.18733000      12.22033000       0.37258705      -0.41683501       0.38430606
O        4.34275000       2.55876000      21.65446000       0.09565689      -0.69714501       1.32147786
O        1.04586000       2.46864000      21.69254000       1.86814112       0.06794174       0.74358785
O       -0.11345000       4.92973000      21.57890000      -0.33541970       0.46889794       0.41551504
O        1.78894000       4.44377000       2.77129000       0.10517588      -0.24555909      -0.38763223
O       -1.31084000       4.34942000       2.73483000      -0.44681835       0.15709101       0.08208630
O        0.19464000       1.60821000       2.86002000       0.13072416       0.68606171      -0.30543288
O        1.62629000       0.75752000       5.26371000      -0.37374692      -0.52150351       0.46497444
O        4.80877000       0.69455000       5.42383000      -0.35654283       1.00890524      -1.80054051
O        3.23396000       3.53013000       5.34042000      -0.74005390      -0.51243351      -0.69188770
O        4.28491000       2.52054000      14.75491000      -0.16386861      -0.18371397      -0.22768449
O        1.47901000       2.27183000      14.54585000      -0.07577634       0.87441921       0.92343848
O        3.00579000       0.01067000      14.51311000      -0.44394946       0.90885283       3.12689808
O        1.17362000       4.31837000      24.17112000      -0.42956937       0.12290554       0.55773114
O       -1.39564000       4.23227000      24.24976000      -2.28877218       1.66851661      -0.93357202
O       -0.10916000       2.13602000      24.23779000      -1.61277088      -2.04842172       0.66956477
O        2.80715000       4.88934000      21.62812000      -0.22199906       0.89686393       0.43799048
O        3.24732000       1.89951000       2.73816000      -0.46233850      -1.10088426      -1.88642492
O        0.02433000       3.28978000      11.95780000       0.39285977       0.25913731       1.34083767
O       -2.71282000       5.05885000       7.40267000      -0.01065822      -0.96951768       1.14801705
O        2.85301000       1.73118000      16.69139000      -0.49053895      -2.34578952       1.46562909
O       -0.23159000       3.65561000      26.51597000      -0.54768936      -0.50319672      -0.17797869
O        0.18650000       0.04378000       0.57097000       0.15840182       0.48806480      -0.54967348
O        2.99436000       1.65407000       9.98457000       0.22144253      -0.50184578       0.31668755
O       -0.22061000       3.22952000      19.56814000       1.21051847      -0.33175084      -1.59754648
O       -0.00345000       1.40339000      16.82794000      -0.66448173      -0.08317394       1.01458440
O        1.29590000       4.32436000      16.93027000       0.09475214      -0.65091247      -1.14901972
O       -1.82555000       4.14619000      16.91278000       0.51781863       0.54814849       0.39985970
O        2.56305000       3.57369000      26.50216000       1.98593424      -1.36523457       0.52548963
O        1.47680000       1.08548000      26.69269000       0.64566444       0.92208327      -1.45303309
O        4.08854000       0.94750000      26.54224000       0.94463804       1.53516956      -1.37608804
O        0.23525000       5.04007000       7.43697000      -0.33359068      -0.71521220       1.04106062
O       -1.08006000       2.56785000       7.57926000       0.85681422       0.55737352      -0.51874659
O        1.49469000       2.59230000       7.55955000       0.80344463       0.88361336       0.25615705
Zn      -0.12305000       0.30615000      27.25350000      -0.43313335      -1.04795447       0.48630012
Zn       3.15994000       1.89778000       7.99645000      -0.09308861      -1.63233770       0.95848056
Zn      -0.02303000       3.16952000      17.58294000      -1.71935649       0.16534974       0.56985959
Zn       5.64765000       0.33173000      23.71191000       0.41482739      -1.74444795      -1.00885682
Zn       3.14325000       1.72467000       4.59102000       0.77099697      -0.42747876       0.86076404
Zn      -0.02744000       3.46488000      13.82522000      -0.24548915      -2.57160361       0.73379697
Zn       2.89201000       4.90351000      12.98724000       0.48733483       1.40942216       1.05836513
Zn       2.76113000       1.63333000      22.63010000       0.01599402       0.28993635      -0.19549092
Zn       0.07741000       3.37052000       4.06159000       0.25160916       0.23537158      -1.08839907
Zn      -2.84641000       5.09478000       9.38796000       0.60854516       0.88098760      -0.26285263
Zn       2.88119000       1.68032000      18.61061000      -0.55669718      -1.99578243       0.70952038
Zn       0.12223000       3.53917000      28.54175000       0.10682010       0.90666391      -0.24958431
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.85404354 magmom=72.0885096 free_energy=-551.86023536 stress="-0.03934030055845389 0.001855379938396365 0.0014327800507123716 0.001855379938396365 -0.031081520004414238 -0.0036602098257256014 0.0014327800507123716 -0.0036602098257256014 -0.04345196649120896" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40898000       0.58170000      15.73122000      -1.24414100       1.77936859       1.58861386
Cr       4.37963000       0.77382000      15.74688000      -1.07915503       0.99064330      -0.57365075
Cr       2.70928000       3.42525000      15.75483000       0.32208198      -1.80260374       0.05258922
Cr       4.19095000       2.80065000      25.42762000      -1.24907568      -0.12796516      -0.82436520
Cr       1.14733000       2.82874000      25.53783000       0.32028848       0.79550475      -2.76198655
Cr       2.72548000       0.25020000      25.34261000      -0.98720757      -0.68405954      -2.18362863
Cr       1.67773000       4.24680000       6.24394000      -1.01640105      -0.65997036       1.80506870
Cr      -1.14274000       4.14418000       6.47536000      -2.89447685       1.60232988      -2.66773245
Cr       0.23281000       1.59005000       6.46591000       0.48175380       1.45947465       0.75835499
Cr       2.71313000       4.84899000      18.10666000      -0.93153733       3.63560419       0.49412741
Cr       2.94336000       1.86285000      27.80048000      -0.34030142       0.76877128      -0.34262064
Cr       0.20967000       3.49208000       8.70464000       1.13403931      -1.28518410       0.95347873
Cr       0.27909000       0.03575000       4.04875000      -0.49342028      -0.66750235      -0.38257992
Cr       2.99406000       1.69643000      13.40013000      -0.37849840      -2.22164432       1.82516157
Cr      -0.22479000       3.55706000      22.83666000      -0.25645133      -2.82374125       1.44274783
Cr      -0.22418000       1.51237000      20.56800000      -0.40522455       1.18230995       0.33501723
Cr       1.40333000       4.05231000      20.58706000      -3.38589195      -0.44279996      -0.71073271
Cr      -1.71054000       4.15773000      20.47396000       1.89699571      -0.26520551      -0.14566219
Cr       3.03447000       3.47058000       1.64238000       1.47884896       0.06148456      -0.70516272
Cr       1.69092000       0.88047000       1.68030000       0.17560317      -0.00444320      -1.11338864
Cr       4.63377000       0.97878000       1.60352000       1.28855751      -1.17910987       0.40022929
Cr       0.16721000       4.95582000      10.98946000      -1.72312595       2.46339606       1.28535574
Cr       4.44447000       2.50784000      11.13042000      -0.18300654      -0.05918644      -3.24841494
Cr       1.51521000       2.44972000      11.15189000       0.32731175       0.74237975      -1.45286237
O        1.01284000       0.74422000      19.31485000       1.41346082      -1.25168125      -0.19778085
O        4.32185000       0.56658000      19.40385000       0.16104171       0.33770500      -0.28514206
O        2.66754000       3.43126000      19.24535000       1.01972221      -2.20132186       1.91184669
O       -1.48031000       2.56681000       0.44501000      -0.19429406      -0.22821700      -0.43019285
O        1.70618000       2.62674000       0.41743000      -0.59902332      -0.38447019       1.26995866
O        3.22151000       0.32527000       0.44991000      -0.99017726      -0.56063579      -0.31166760
O        1.52034000       4.07643000       9.93452000       0.88131794       1.02394823       0.67543564
O       -1.25463000       4.10511000       9.83819000       0.96262331      -0.76829944       1.27035035
O        0.22667000       1.85272000       9.89351000      -2.13638598      -0.24738469      -0.01474206
O        1.65869000       0.92200000      12.19753000      -0.17938086      -2.48129394       0.70473399
O        4.41912000       0.89788000      12.08369000      -0.13300787      -1.33266244       1.63323384
O        2.99700000       3.17905000      12.31303000       0.14706846       1.80835390      -1.46898629
O        4.29339000       2.53612000      21.75529000       1.07706019       0.37363163      -0.85945029
O        1.17283000       2.34838000      21.74291000      -0.62400495       1.42438098      -0.03816195
O       -0.16681000       4.96735000      21.56321000       0.01418346      -0.33677090      -0.17739017
O        1.79294000       4.28701000       2.77433000      -0.73173949       1.62546820       1.43825762
O       -1.36659000       4.36249000       2.80735000       0.15115628      -0.49289633       0.48723585
O        0.30688000       1.57405000       2.85029000      -1.23954241       0.82578186       0.37118204
O        1.53596000       0.87980000       5.37937000       1.84816904      -1.68730670      -1.73913823
O        4.71601000       0.88772000       5.35964000       1.07795917      -1.36775285      -1.01628127
O        3.22733000       3.53053000       5.31098000       0.15991973      -0.16036437      -0.74861447
O        4.16920000       2.58322000      14.74913000       1.23136071      -0.46078470      -0.80304737
O        1.51438000       2.28178000      14.57798000      -0.43151401       0.78780709       0.26548139
O        2.84540000       0.11882000      14.67367000       1.66308465      -1.30502272      -2.13998882
O        1.08253000       4.28010000      24.07763000      -0.06630496       0.68318414       1.38719578
O       -1.55586000       4.25880000      24.06975000      -0.82183258       1.67397213       1.14050728
O       -0.33802000       2.05001000      24.34141000       1.32199162      -0.35831378      -0.42409836
O        2.79528000       4.85046000      21.55107000      -0.12118881       1.70995940       1.47847660
O        3.16176000       1.77497000       2.50483000      -0.02981389      -0.18361914       3.07363356
O       -0.03428000       3.29495000      12.06283000       1.08332125       0.81226246       0.38733750
O       -2.88796000       5.03118000       7.45675000       1.09856657      -0.33751094      -1.07287517
O        2.88847000       1.61730000      16.70618000      -0.89159242       0.26717513      -0.33794934
O       -0.29509000       3.77036000      26.51533000      -0.05184358      -0.96499254       0.21780952
O        0.27114000       0.00588000       0.66706000      -0.95623615       1.31327804      -1.32276763
O        2.81738000       1.55074000      10.02318000       2.46138554       0.52717010      -0.56030626
O       -0.17812000       3.28618000      19.53017000      -0.18322957      -0.54201376       0.54144656
O       -0.08184000       1.28331000      16.89993000       0.24558326       1.08275058      -0.48143025
O        1.14594000       4.31681000      16.81838000       2.35531264      -1.16381031      -0.03063206
O       -1.78186000       4.14520000      17.05382000       0.02047118      -0.16046459      -2.11008040
O        2.65209000       3.56677000      26.44032000       1.28095896       0.10634886       1.59223973
O        1.45932000       1.28423000      26.52295000      -0.12695618      -1.71521178       1.39249148
O        4.00836000       0.98499000      26.49282000       2.63983273       1.44687613       0.31057222
O        0.17556000       5.04064000       7.38602000       1.58914000       0.08996724       1.07888791
O       -0.93785000       2.56866000       7.56943000      -3.05785408      -0.15769685      -0.53784448
O        1.51392000       2.65409000       7.51956000       1.02795162       0.24908650      -1.00993469
Zn      -0.07609000       0.42153000      27.36547000      -0.57660520      -1.29830558      -0.75187913
Zn       3.22524000       1.86031000       8.02784000      -0.69395747      -0.67030056       0.87408925
Zn      -0.17721000       3.15118000      17.64486000      -0.03095890      -0.30608312      -0.42611884
Zn       5.55538000       0.25886000      23.64395000       1.05325199      -0.71431215      -0.52178017
Zn       3.32344000       1.71724000       4.49838000      -1.87380495       0.48069357      -0.41929915
Zn      -0.00876000       3.38117000      13.93321000      -0.35104111      -0.17106824       1.55302394
Zn       2.98484000       5.00274000      13.12997000       0.13798789       0.72034414       0.42531616
Zn       2.81809000       1.60662000      22.61548000      -0.56777396       0.21989957       0.44054445
Zn       0.16745000       3.26674000       4.10356000       0.32997222       0.53332458      -1.28196618
Zn      -2.72821000       5.06602000       9.33911000      -1.27716428       1.08659434       0.67974610
Zn       2.90246000       1.62384000      18.56823000      -0.70887595      -0.92374582       1.72486835
Zn       0.05593000       3.55724000      28.54684000       0.33468337       0.46649934      -0.63431294
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.56550222 magmom=72.0022699 free_energy=-551.56550222 stress="-0.03205402735458515 0.0025034556352452803 -0.003233020088268161 0.0025034556352452803 -0.033174869948770135 0.0013080337790433948 -0.003233020088268161 0.0013080337790433948 -0.04412299358400425" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37238000       0.60907000      15.82447000       0.26455293       2.28678888      -2.73604387
Cr       4.33271000       0.76128000      15.67725000      -0.07007125       0.25673581      -0.17007460
Cr       2.75899000       3.41585000      15.70287000       2.08342761      -2.39034695      -1.26275391
Cr       4.17931000       2.82246000      25.43097000      -0.26505196       0.27594896      -1.47047734
Cr       1.20280000       2.96429000      25.42982000       1.02531998      -3.16487930       1.41669284
Cr       2.68577000       0.26344000      25.26852000      -1.13901739       1.95477056       1.07156751
Cr       1.68921000       4.26714000       6.16894000      -1.23044488      -0.82205431       1.09587352
Cr      -1.21640000       4.26281000       6.37017000       0.16873579      -0.42263280      -0.43218008
Cr       0.20206000       1.63989000       6.43896000       1.58503182       1.06478674      -0.71951822
Cr       2.78110000       4.92369000      18.10651000      -1.04556829      -0.09614489       0.30754004
Cr       2.87401000       1.88863000      27.86704000       1.66920604       0.41172667      -2.40190454
Cr       0.23754000       3.41804000       8.69335000       0.18925835      -0.72032635      -0.37051316
Cr       0.27112000       0.03806000       4.11251000       0.98801080      -0.15640180      -3.26941909
Cr       2.92551000       1.71947000      13.32691000       0.18817874      -1.05221108       0.97707100
Cr      -0.29708000       3.51277000      22.93804000      -0.31740404      -1.44722639       0.82579401
Cr      -0.25588000       1.57530000      20.54504000       0.95260437       0.04294389       0.53089628
Cr       1.29229000       4.01701000      20.59531000       0.18328435       1.94652459      -0.39154581
Cr      -1.73127000       4.17347000      20.42654000       0.93576982      -0.28112043       1.94765275
Cr       3.04386000       3.53680000       1.69851000       0.27494878      -1.73592707      -0.14586511
Cr       1.71212000       0.69657000       1.65033000      -0.45581298       2.39635801       0.85154403
Cr       4.60788000       0.89950000       1.72760000       0.16676497       0.32404921      -0.62413883
Cr       0.12518000       5.08808000      11.03413000       0.73506736      -2.60181186       0.89243412
Cr       4.43021000       2.46667000      11.12875000       1.95995191       1.09162381      -0.56836950
Cr       1.42964000       2.44983000      11.03574000       2.17216379       0.80152297       1.26719647
O        1.13524000       0.73354000      19.31913000      -0.14940014      -0.99021011      -0.19979268
O        4.36303000       0.56747000      19.31144000       0.50027588      -0.05636263       0.39562994
O        2.66080000       3.31797000      19.37328000       1.25946957       0.52368207      -0.56138932
O        4.40322000       2.36329000       0.43907000       0.28951316       2.26502373       0.51175431
O        1.72930000       2.83429000       0.46465000      -0.71071576      -1.33682962       0.70085522
O        3.20533000       0.26976000       0.38840000      -1.10121396       0.05043933       0.80933373
O        1.53705000       4.13749000       9.92919000       0.11713988      -0.25591433      -0.04314344
O       -1.10260000       3.99618000       9.98913000      -1.71447415       1.54421419      -1.50162896
O        0.06341000       1.78843000       9.86188000      -0.09290893      -0.06252250      -0.14232323
O        1.69889000       0.69139000      12.17626000      -1.13476372       1.86208300       0.10189609
O        4.48449000       0.78295000      12.06301000      -0.33086056       1.05122146       2.12994267
O        3.00261000       3.31281000      12.16264000      -0.49820910      -0.97662123       0.25455586
O       -1.44027000       2.58893000      21.71029000      -2.13902394      -0.47918299      -0.41314325
O        1.16498000       2.53367000      21.77741000      -0.40134227      -0.54268597       0.51210078
O       -0.23221000       4.84678000      21.53968000       0.23460794       1.38560653       0.53289434
O        1.78545000       4.41669000       2.94572000      -0.37237928      -0.49941368      -0.52463876
O       -1.47125000       4.33804000       2.92043000       1.46725823      -1.09068446      -1.61168633
O        0.21356000       1.60487000       2.86023000       0.18486764       0.07255091      -0.14331306
O        1.67078000       0.71715000       5.27157000       0.26880398       1.45036555       0.38855513
O        4.88158000       0.81938000       5.14846000      -1.74697028       0.93543594       2.02868040
O        3.21558000       3.53914000       5.17076000       0.31455523      -0.70835502       0.47352633
O        4.19252000       2.50915000      14.60938000       0.27862092      -0.48500489       0.36474914
O        1.55265000       2.39390000      14.68688000      -0.51007394      -1.30566079      -1.17873511
O        2.89369000       0.12258000      14.59265000      -0.55754798      -0.78043842      -0.51021885
O        0.91129000       4.35312000      24.22100000       1.50362629       0.76564250      -1.74169377
O       -1.76533000       4.53163000      24.11042000       2.74788823      -1.72499575       0.94655135
O       -0.36956000       1.93348000      24.37829000       1.50503580       1.80902844      -1.55653659
O        2.72627000       5.09339000      21.59371000      -0.13176779      -1.48383931      -0.55681410
O        3.06019000       1.59774000       2.66395000      -0.02096775       1.40067464      -1.78219802
O        0.12902000       3.43525000      12.17796000      -0.50065215      -1.35330699      -0.97516017
O       -2.82872000       4.96316000       7.31169000       1.25108343       1.22435724       0.89824538
O        2.78643000       1.50374000      16.66386000       1.14854102       1.26244110       1.49021244
O       -0.33705000       3.71082000      26.42722000       1.32740914       0.46198195       0.67206636
O        0.18513000       0.17984000       0.62320000      -0.05027941      -1.46339648       1.14961682
O        3.04527000       1.58595000      10.02575000      -0.80360569       1.25535748      -0.64359972
O       -0.15999000       3.23581000      19.57541000      -0.95859529       0.50429493      -1.55604050
O       -0.13613000       1.36421000      16.88845000       0.16805240       0.11432611      -0.00687840
O        1.42564000       4.16299000      16.66918000      -1.47775219       1.15609278       2.52420070
O       -1.74181000       4.15417000      16.83546000      -0.00712378      -0.49433566       1.38026424
O        2.95378000       3.54683000      26.65407000      -2.47319291       0.41481719       0.37566701
O        1.48900000       1.27952000      26.48917000       0.19713447       0.28999474       0.72782413
O        4.33053000       1.23688000      26.40700000      -2.12359285      -1.75201765       1.48791862
O        0.31982000       4.93244000       7.48531000      -0.89786725       0.96586584      -0.74178667
O       -1.17688000       2.64052000       7.42315000       1.51110129       0.01425594       0.04707776
O        1.64943000       2.78138000       7.31617000      -0.93224343      -2.36448072       1.34778517
Zn      -0.06245000       0.47422000      27.44201000      -0.34754727      -0.59257760      -2.43755101
Zn       3.24936000       1.77372000       8.10945000      -1.35108213      -0.72412777       0.03241980
Zn      -0.35324000       3.11463000      17.69048000       1.15013612       0.33095561      -0.73750735
Zn       5.49764000       0.14882000      23.54200000      -0.54030132       0.80863112      -0.03042803
Zn       3.41705000       1.73410000       4.39328000      -1.06207211       0.27662855       2.58872545
Zn      -0.01016000       3.26321000      14.12192000      -0.42456545       0.95276026      -0.65000468
Zn       0.13999000       0.04027000      13.31648000      -0.56319599      -0.60598232      -0.63589310
Zn       2.85150000       1.59342000      22.62940000      -0.50663585       0.44870106       0.24009617
Zn       0.28304000       3.18629000       4.09220000       0.05243504       0.73436610      -0.97294868
Zn      -2.65598000       5.08376000       9.31301000      -0.47561197      -0.96898230       0.38836124
Zn       2.88143000       1.50284000      18.60309000      -1.01620153       0.17269691       0.54208508
Zn       0.00236000       3.59659000      28.52036000      -0.37172417      -1.36926088      -0.80999637
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.37033824 magmom=71.9953415 free_energy=-551.37033831 stress="-0.03437553964087903 -0.004058600615925303 -0.0063448153767991875 -0.004058600615925303 -0.03579533301476072 0.0024943464210609462 -0.0063448153767991875 0.0024943464210609462 -0.04446226664725028" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33198000       0.74978000      15.82801000       1.53008348      -0.47198070      -1.97206119
Cr       4.28339000       0.74158000      15.63131000       0.62162564      -1.82544294       1.20530072
Cr       2.88462000       3.30554000      15.65167000      -0.85884657       0.23868485       0.75786372
Cr       4.14290000       2.83878000      25.41180000       1.63830452       0.43878739       0.87885826
Cr       1.31336000       2.94320000      25.40227000      -0.02209416      -0.51891090       0.78877548
Cr       2.61158000       0.38113000      25.26849000       2.69876983      -0.25340224       1.70051022
Cr       1.63251000       4.21871000       6.19473000       1.65392348      -0.02037382       0.91123918
Cr      -1.26358000       4.34201000       6.24027000       2.30462187      -1.68335680       0.91793809
Cr       0.25880000       1.75984000       6.37427000      -0.14184985      -1.51110042      -1.87862123
Cr       2.81782000       4.99865000      18.10740000      -0.31559361      -2.21875639      -0.79260367
Cr       2.89625000       1.94831000      27.83788000       0.83093851      -0.30103734       2.28402668
Cr       0.27255000       3.31819000       8.66609000      -1.48378086       1.43665462      -0.71599098
Cr       0.32212000       0.02838000       3.99388000       0.14323282       0.15348742       0.79398401
Cr       2.86710000       1.66894000      13.31898000       1.34425880      -0.41818465      -1.33738222
Cr      -0.38195000       3.40252000      23.04752000       0.75253814       3.97530599      -4.12526460
Cr      -0.23753000       1.63476000      20.54724000       0.56708074      -0.46214099       0.32966773
Cr       1.18663000       4.08661000      20.56343000       1.69461516       1.04819696      -0.29303459
Cr      -1.70976000       4.18012000      20.45071000      -0.22259785      -0.68137352       2.47140769
Cr       3.06650000       3.47726000       1.71868000      -0.88100743      -1.14665614      -0.73457926
Cr       1.70216000       0.67095000       1.64697000      -2.35120448       2.95992902       0.71942202
Cr       4.59183000       0.85359000       1.79929000      -1.51548484       1.78499313      -1.93570579
Cr       0.11764000       5.09248000      11.13103000       1.09839242      -1.10157754      -1.07476612
Cr      -1.38658000       2.50952000      11.08590000       0.45222152       0.57190704       0.77881071
Cr       1.47657000       2.49627000      10.98478000       1.86510785      -0.48034287       0.12270786
O        1.23101000       0.56181000      19.30159000      -0.67232658       1.64665044       0.02323970
O        4.49423000       0.57165000      19.31740000      -1.27367325       0.63816810       0.30405926
O        2.83457000       3.25567000      19.47023000      -1.36329656       0.89025105      -1.25170932
O        4.38347000       2.50654000       0.50385000      -0.43509872      -0.08811718      -0.20726642
O        1.64547000       2.75479000       0.61472000      -0.46410815      -1.47848818      -1.25187083
O        3.02632000       0.26259000       0.44609000       1.37390028      -0.05628806      -1.28463064
O        1.51743000       4.13783000       9.94053000       0.00027623       0.42174556      -0.40209508
O       -1.15781000       4.12098000       9.92248000       1.00407204      -0.19431066      -0.09519408
O       -0.08105000       1.77330000       9.83687000       1.70679705      -0.25873512      -0.05800810
O        1.60761000       0.79850000      12.15049000      -0.75105860       0.31836803       0.02897689
O        4.40842000       0.84931000      12.38243000      -0.17156157       0.61108484      -1.07631428
O        2.96199000       3.21501000      12.03740000       0.17782077       0.16308070       2.07100597
O        4.33492000       2.58482000      21.61163000      -0.74128482      -0.75147302       1.31332112
O        1.01585000       2.67469000      21.85121000       0.53843054      -1.56943920      -0.45121677
O       -0.26274000       4.89282000      21.62472000      -0.13067193       1.03718025       0.32177454
O        1.76710000       4.47594000       2.99699000      -0.44179355      -1.69433531      -0.54448699
O       -1.39370000       4.20762000       2.76426000       0.71588033       0.39797859       0.45019019
O        0.11647000       1.59611000       2.85698000       1.01574030       0.30144069       0.06090557
O        1.80360000       0.77384000       5.16667000      -0.92357168       1.16625142      -0.59313512
O        4.89447000       0.79696000       5.29276000      -0.90644791       0.23221474      -1.33085526
O        3.23428000       3.53045000       5.12982000      -0.40121535       0.45206636       0.19967395
O        4.22492000       2.32072000      14.54322000       0.01040416       1.09147570       0.84603865
O        1.57782000       2.29410000      14.61790000      -1.00552026       0.47381147       0.46164723
O        2.91023000       0.01608000      14.42931000      -0.84145642       0.03730536       1.97527490
O        0.95794000       4.48766000      24.16140000       0.01539891      -0.70601338       0.24360686
O       -1.55203000       4.48924000      24.30310000      -2.92351244      -0.68962751      -1.71943762
O       -0.13186000       2.13283000      24.21873000      -0.40622236      -3.62995555       2.92330685
O        2.64307000       5.08947000      21.51356000       0.59880027      -0.84117435       0.62258086
O        2.98012000       1.70632000       2.54731000       1.33710668       0.31682013       1.78000791
O        0.17952000       3.34232000      12.03306000      -1.52891561       0.19767674       1.75895199
O        0.34642000       0.00882000       7.27069000      -1.57119648       0.20035778       1.30865416
O        2.84788000       1.59612000      16.75560000       0.32991991      -0.07319739      -0.39148900
O       -0.17259000       3.69972000      26.35700000      -0.52304944       0.41505385       0.63450246
O        0.08528000       0.09608000       0.74878000       0.47741233      -0.53989096      -1.80242921
O        3.14089000       1.77962000      10.01731000      -1.70614716      -1.67752361       0.43537773
O       -0.28220000       3.27824000      19.48440000       0.93439289       0.11139683       0.61677433
O       -0.15884000       1.44476000      16.82709000      -0.05559081      -0.59866042       0.24318987
O        1.53459000       4.16830000      16.86048000      -0.55280313       0.34955945      -0.77687350
O       -1.69764000       4.13565000      16.74925000      -0.30050102       1.25107970       0.75524907
O        2.86680000       3.57276000      26.81731000      -0.46206383       0.63347021      -2.45267890
O        1.54819000       1.29303000      26.57330000      -1.28158432       0.40305577      -0.34852348
O        4.25217000       1.26361000      26.50347000      -0.96896007      -0.76595546      -0.37543751
O        0.32355000       4.91212000       7.44953000      -0.65640975       0.20332932      -0.13715376
O       -1.15720000       2.70219000       7.28783000       0.13614860      -0.69786338       1.39966599
O        1.60645000       2.57612000       7.31886000       0.98596560       0.96623739       1.75956181
Zn      -0.06726000       0.48602000      27.41243000      -0.30500187      -0.81984310      -0.03002032
Zn       3.21408000       1.65843000       8.17571000       0.39641268       0.05712961      -1.70634923
Zn      -0.46184000       3.09849000      17.68773000       1.33323140       0.52382405      -1.14931307
Zn       5.44533000       0.07536000      23.44600000       2.02108496       0.89769820       0.18838837
Zn       3.43288000       1.76716000       4.39940000      -0.46143959      -0.71513027       1.04926150
Zn      -0.03175000       3.19956000      14.28298000       0.02441359       1.08054132      -1.86558722
Zn       0.21046000       0.15488000      13.47422000      -1.05143676      -0.77485788      -1.55526801
Zn       2.85638000       1.60242000      22.66022000      -0.72706178       0.39285926      -0.16659776
Zn       0.39789000       3.15043000       4.04059000      -0.23463642       0.94075374      -0.67494463
Zn      -2.61927000       5.06346000       9.30529000      -1.53020939       0.01801670      -0.40480399
Zn       2.81524000       1.39574000      18.67579000       0.48284695       0.88987532       0.61602946
Zn      -0.06073000       3.57138000      28.45929000       0.75011601      -0.62023781      -0.08802980
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.09891098 magmom=72.0003483 free_energy=-551.09891098 stress="-0.03672287030416266 0.0032163665248260255 8.583204137090353e-05 0.0032163665248260255 -0.029913372531967984 0.0006792392772880486 8.583204137090353e-05 0.0006792392772880486 -0.039579193521333905" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35018000       0.84370000      15.75903000       0.97068957      -1.86012079       0.54320366
Cr       4.28649000       0.61224000      15.68255000       0.41745861       0.31757133       0.51026095
Cr       2.96996000       3.23163000      15.66227000      -2.20346168       2.18754135       0.86352783
Cr       4.18460000       2.86473000      25.47589000       1.71542472      -0.73003272      -0.12133133
Cr       1.40452000       2.87373000      25.44026000      -2.40095356       1.09991557      -1.77694674
Cr       2.65234000       0.47276000      25.36302000       0.24601708      -3.37871909      -0.94940871
Cr       1.66157000       4.17587000       6.28866000       2.13729073       1.47511935       0.37818422
Cr      -1.18690000       4.32218000       6.18823000      -0.73442537       0.06407216       0.94735362
Cr       0.31901000       1.81167000       6.22294000      -0.58178936      -1.62479888       0.74141824
Cr       2.84671000       4.95241000      18.08093000      -1.26763841       0.14048532       0.92985430
Cr       2.95331000       2.02404000      27.89587000      -2.21347849      -1.42338907      -0.52791611
Cr       0.22578000       3.30854000       8.61745000      -0.43390311       1.18891612       1.11402846
Cr       0.39098000       0.00719000       3.87445000      -1.78677342      -0.92002339       1.84776631
Cr       2.86351000       1.59526000      13.28498000      -0.68157377       0.09385797       2.30888062
Cr      -0.40396000       3.44982000      22.97975000       1.31066361      -0.01063520       1.44040823
Cr      -0.19287000       1.64776000      20.56539000      -0.78749857      -0.74144517       0.08008004
Cr       1.18689000       4.22327000      20.51468000       0.54338171      -1.03678691       0.70577115
Cr      -1.72785000       4.15341000      20.57102000      -0.38611334      -0.05241627      -0.28998958
Cr       3.03214000       3.35983000       1.66193000      -1.16491841       2.81941357       0.61179342
Cr       1.59096000       0.82242000       1.65338000       0.19857349      -0.38435176      -1.12967834
Cr       4.51046000       0.89626000       1.74691000       0.84239349      -1.21582285      -1.74782432
Cr       0.17017000       5.01812000      11.17712000      -0.33274426       1.05647912      -1.23734497
Cr      -1.30175000       2.57505000      11.08127000      -2.40778772      -1.65574791      -0.73105334
Cr       1.61863000       2.54665000      10.98199000      -2.18698425       0.13747164       0.79540822
O        1.16528000       0.64151000      19.35604000      -0.55142283       0.31609363       0.64581809
O        4.45320000       0.67112000      19.36403000      -0.11268295       0.04991698      -0.57478292
O        2.78704000       3.41553000      19.36308000      -0.54688339      -0.30417094      -0.15400593
O        4.30309000       2.61834000       0.53540000       1.51610178      -1.51062187      -1.14769127
O        1.50876000       2.40091000       0.56898000       0.09254444       2.14509062      -0.44088320
O        3.04006000       0.31331000       0.40175000       0.40447729      -0.31287828       0.20766061
O        1.46448000       4.15982000       9.88528000       1.31491469       0.83088086       0.36257601
O       -1.02716000       4.19556000       9.82870000      -1.30004355      -0.48746917       0.82559231
O        0.08040000       1.79983000       9.83074000       0.10450989       0.08851538       0.64015632
O        1.45539000       0.98748000      12.10507000       0.57306027      -2.39398391       0.76972189
O        4.31801000       1.02355000      12.39436000       2.27833856      -2.22184196      -1.98846915
O        2.97975000       3.08763000      12.22140000       0.77209149       2.86011667      -0.35237736
O        4.15653000       2.50432000      21.70427000       1.81804203       0.66613717      -0.38671728
O        0.91373000       2.57872000      21.81645000       1.37813835       0.52037307      -0.52084314
O       -0.30357000       5.04758000      21.73409000      -0.05251340      -1.24107673      -0.89132850
O        1.76254000       4.29262000       2.88775000       0.19553126       0.66341749      -0.20107346
O       -1.27970000       4.22428000       2.63717000      -0.95771562       0.28999103       0.92896131
O        0.15287000       1.56615000       2.83262000      -0.22468236       0.53405390      -0.69169350
O        1.69175000       0.99002000       5.01300000      -0.39179178      -1.25663265       0.79967334
O        4.74469000       0.80949000       5.31815000       1.55036818      -0.77329051      -0.80530060
O        3.19948000       3.64828000       5.17292000       0.34030426      -0.97297511      -0.35589069
O        4.19225000       2.26779000      14.63038000       0.87447034       0.25484933      -0.51569883
O        1.51230000       2.26270000      14.57527000       0.69348722       1.73529498       0.20591614
O       -0.17696000       5.10152000      14.62387000      -0.11703145      -0.12010303      -0.09308748
O        0.96921000       4.43929000      24.13437000      -0.18238245       0.06665710       0.21536751
O       -1.68103000       4.33832000      24.26171000       0.03596316       1.01687846      -0.69095282
O       -0.00011000       1.96702000      24.39025000      -2.08196162       0.06140222      -1.08833500
O        2.67807000       4.93327000      21.47948000       0.12705166       1.43289409       0.90006232
O        3.07838000       1.77271000       2.61655000      -0.59964881      -1.32379579       1.20971355
O        0.03938000       3.27892000      12.09871000       1.69758974       1.49324637       1.55130336
O        0.35524000       0.18441000       7.34491000      -0.35988146      -1.60247441      -1.16151743
O        2.97981000       1.66558000      16.75095000      -0.90958507      -1.00029436       0.88308440
O       -0.07411000       3.75049000      26.38039000      -1.40187232      -0.06299531       0.74584977
O       -2.88908000       5.04577000       0.67371000      -0.25714896       1.35755700      -0.79100643
O        3.00118000       1.67051000      10.10087000       2.10850833      -0.90646728      -1.22386129
O       -0.26181000       3.36288000      19.53305000       0.06820360      -0.57357290      -0.54458058
O       -0.18149000       1.40533000      16.78316000       0.18367590       0.59817789       0.79479351
O        1.47687000       4.25878000      16.91930000      -0.27686905      -1.65221828      -0.91186971
O       -1.72276000       4.31342000      16.79054000       0.21283967      -0.89178340       0.36702010
O        2.70349000       3.66362000      26.56749000       1.80630960      -0.08615065       1.02935696
O        1.44186000       1.37466000      26.60694000       0.34292828      -0.75103433       0.77992799
O        3.98574000       1.13415000      26.55302000       2.29675021       1.13778026      -0.20313053
O        0.21201000       4.88375000       7.32776000       0.84843878       0.58783036       0.90358939
O       -1.02740000       2.65637000       7.33915000      -1.71073883      -0.24740073      -0.50677687
O        1.60462000       2.51627000       7.56653000       0.75900286       0.99538479      -2.05173237
Zn      -0.09211000       0.45192000      27.35456000      -0.60524999      -0.82759836      -0.26840354
Zn       3.19336000       1.54372000       8.16659000       0.52275079       0.36935078      -0.24901641
Zn      -0.49384000       3.11080000      17.62894000       1.28654371       0.35501664      -0.03178751
Zn       5.49688000       0.05225000      23.36671000       1.03770882       0.70670750       1.55573103
Zn       3.42471000       1.77618000       4.48536000      -0.77860682       0.55799319       0.53335153
Zn      -0.05734000       3.19898000      14.34968000      -0.67579775       0.98715436      -1.82058633
Zn       0.22310000       0.22477000      13.56942000      -1.06048364      -0.61413573      -1.97931303
Zn       2.81534000       1.63273000      22.70210000      -1.39450383       0.28080764       0.99770860
Zn       0.50006000       3.16957000       3.96273000      -0.54802833       1.02650101      -0.48702815
Zn      -2.66304000       5.03830000       9.28467000      -0.67956932       0.19394312       0.24565136
Zn       2.77195000       1.34120000      18.77437000       0.58684207       1.70501241      -0.40677020
Zn      -0.08652000       3.50800000      28.37919000       1.13775906       0.70338590       0.13147828
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.31492963 magmom=69.9999717 free_energy=-549.31492963 stress="-0.03741471938347735 0.0064082100729153275 0.0032692593575511003 0.0064082100729153275 -0.025123035548915686 0.00047327272796015576 0.0032692593575511003 0.00047327272796015576 -0.03889763157877182" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38842000       0.83746000      15.74962000      -1.23384241       1.04809044       1.77202983
Cr       4.33306000       0.49252000      15.79901000      -1.02534240       3.39974112      -1.43841568
Cr       2.93123000       3.28603000      15.76437000      -0.14517959      -0.40582230      -0.17089002
Cr      -1.59332000       2.85675000      25.57805000      -0.72998492      -1.02696656      -3.08974569
Cr       1.35351000       2.84504000      25.40857000      -1.33787457      -0.39978018      -0.63105963
Cr       2.72941000       0.37317000      25.43114000      -1.10227194      -0.76758221      -0.86589548
Cr       1.82580000       4.22590000       6.40728000      -0.24271872       0.98376788      -2.01732007
Cr      -1.13457000       4.28369000       6.19965000      -1.05861154      -0.26329491      -0.28442697
Cr       0.32025000       1.76881000       6.11084000      -1.68645511       0.69827387       2.64240210
Cr       2.79666000       4.90617000      18.08642000      -1.19509228       2.62854125       0.98653542
Cr       2.90742000       2.04674000      27.94809000      -0.47500698      -1.88556115      -2.87318532
Cr       0.15189000       3.36726000       8.62315000       1.46377901      -0.35069737       0.99549431
Cr      -2.60265000       5.05000000       3.85226000      -2.95804103       0.97273502       0.51915000
Cr       2.87553000       1.54398000      13.34082000       1.74838251       1.34503748       0.45299086
Cr      -0.33796000       3.52031000      22.95614000       0.51928206      -2.09944057       1.38376890
Cr      -0.19742000       1.62960000      20.59215000      -1.21334831       1.91530313       0.54423444
Cr       1.23230000       4.31184000      20.49515000      -1.16175828      -2.30026030       0.77229309
Cr      -1.78112000       4.12117000      20.65581000       0.73661060       0.31027530      -2.48162448
Cr       2.94482000       3.35204000       1.54948000       2.25379238       0.64515499       0.18163407
Cr       1.48157000       0.95381000       1.58728000       1.95143535      -3.10548195      -0.61102389
Cr       4.46378000       0.88695000       1.58362000       1.67890519      -0.98089165       1.01746805
Cr       0.22278000       4.98985000      11.14718000      -1.44341031       0.53429287      -0.51447505
Cr      -1.32345000       2.55975000      11.07883000       0.42945792      -0.56627793       1.17498365
Cr       1.69092000       2.58475000      11.04087000      -0.25719578      -0.49641126       1.43538513
O        1.01047000       0.77484000      19.50466000       2.16674463      -1.95780976      -2.07336216
O        4.40618000       0.75897000      19.34367000       0.27554447      -0.49068433      -0.20151457
O        2.60447000       3.50540000      19.26637000       0.88250473      -1.77577825       1.79819617
O        4.43487000       2.46290000       0.43086000      -0.93570216       0.94766269       0.58508347
O        1.39662000       2.42839000       0.40079000       1.05067535       2.16408432       1.18907786
O        3.11906000       0.33320000       0.37249000      -1.83729493      -0.55242773      -0.35480444
O        1.56597000       4.26056000       9.91720000      -0.41359927      -1.39861854      -0.17607217
O       -1.06363000       4.11881000       9.91193000      -1.75843398       0.44402492      -0.49545567
O        0.28756000       1.90794000       9.92950000      -1.22992524      -0.87294618      -0.75288476
O        1.49475000       0.84864000      12.15639000       1.22312438       0.34568984       0.09268663
O        4.47454000       0.88051000      12.04849000       0.10383942       0.35026207       3.08309087
O        3.11461000       3.28988000      12.35906000      -0.35744196      -1.37694495      -1.11364625
O        4.33060000       2.55559000      21.76486000      -1.00789507      -0.72979255       0.24331977
O        1.04226000       2.59208000      21.68600000       1.17968720       0.80326463       1.19173251
O       -0.33353000       4.94310000      21.67991000       0.60311528       1.12916809      -0.02171456
O        1.83375000       4.24819000       2.71390000      -1.52548528       0.72714067       0.79471093
O       -1.41842000       4.36295000       2.65652000       0.87163539      -1.28089564      -1.65589967
O        0.13851000       1.55444000       2.69620000      -1.14430743       0.78715903       1.19523815
O        1.50694000       0.92513000       5.00742000       3.41737754      -1.01975194       0.15547044
O        4.87838000       0.67038000       5.17419000      -0.93155898       0.98129646      -0.43337409
O        3.23506000       3.64020000       5.18268000       0.51421683      -1.50420776      -0.09812000
O        4.20523000       2.26957000      14.66570000       0.26811163      -0.63205120       0.31142643
O        1.63046000       2.48308000      14.61556000      -0.54767149      -1.11478070      -0.08528283
O       -0.26374000       5.08966000      14.80974000       2.04687352      -0.30452369      -2.18233737
O        0.88107000       4.35214000      24.20655000       1.67385429       0.96340512      -0.35170333
O       -1.76683000       4.26478000      24.12851000       1.77298887       0.04562872       0.90981462
O       -0.22575000       1.80245000      24.47627000       0.24449378       1.58077541      -0.82030951
O        2.71822000       5.02277000      21.54205000      -0.92069543       0.28664886       0.09168028
O        3.10445000       1.61040000       2.76245000      -1.06602922       1.28154737      -2.07225633
O        0.08787000       3.45394000      12.31635000       0.44367108      -1.17235654      -1.41267064
O        0.29781000       0.07676000       7.21324000       1.16001142       0.10946156       1.58413008
O        2.95591000       1.56875000      16.80622000      -0.56272055      -0.02059400       0.57483816
O       -0.20875000       3.78050000      26.46622000       0.92554377       0.08293593      -0.35479480
O       -2.92875000       5.10688000       0.50820000       0.19683079      -0.29789840       0.80817841
O        3.12389000       1.45148000      10.04404000      -0.12200808       2.60548543      -0.29355882
O       -0.21852000       3.35484000      19.58392000      -0.98380735       0.16908551      -1.36740723
O       -0.17243000       1.41721000      16.83429000       0.22848457      -0.49980984       0.19612381
O        1.38367000       4.04754000      16.80603000       0.89371516      -0.52735308       1.20783023
O       -1.73206000       4.37509000      16.87016000       0.25758784      -1.18376006       0.17106420
O        2.81565000       3.71996000      26.39669000      -0.51551565      -0.85531555       1.61003811
O        1.44009000       1.36049000      26.68228000       1.02787993      -0.31107911      -0.50106140
O        4.06189000       1.19240000      26.55840000       0.65743218       0.38157252       0.64787118
O        0.25431000       4.88723000       7.34338000       0.27763024       0.04405513       0.17809745
O       -1.11257000       2.59036000       7.33407000      -0.02434426       0.19516241      -0.37815169
O        1.66761000       2.70719000       7.47594000      -0.26103445      -1.92296127      -0.09155542
Zn      -0.15399000       0.36975000      27.26944000      -0.10888016       0.00331316      -0.87583339
Zn       3.19881000       1.44922000       8.13330000      -0.06182251       2.04801062       0.04092797
Zn      -0.45000000       3.14457000      17.55968000       1.33195815       0.30333799       0.99071597
Zn       5.61592000       0.07675000      23.36448000      -0.83452636       0.74667515       2.52491727
Zn       3.38093000       1.80504000       4.62646000      -0.13221757      -0.73943827       0.23005501
Zn      -0.11626000       3.25468000      14.32259000       0.19623484      -0.10528662      -1.52359571
Zn       0.17310000       0.25872000      13.58134000      -0.96550318      -1.08096402      -2.04672043
Zn       2.70053000       1.68287000      22.79533000      -0.36782714       0.36606115      -0.09805104
Zn       0.57604000       3.24643000       3.86540000      -0.99071917       0.29816751      -0.27799320
Zn      -2.75403000       5.03231000       9.26371000       1.06652477       0.96376958       0.24292486
Zn       2.74380000       1.37805000      18.86061000      -1.27956713       1.44007485      -0.52510492
Zn      -0.04982000       3.47711000      28.30094000       0.41273107       1.30035823       1.08568797
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.05907899 magmom=72.0031115 free_energy=-551.05908035 stress="-0.04074516178335187 0.002748253296694217 -0.002668895716294302 0.002748253296694217 -0.041371791592429166 -0.0018200464556423017 -0.002668895716294302 -0.0018200464556423017 -0.040021307992862215" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37209000       0.84045000      15.84373000       0.94687835      -1.06777977      -1.27817000
Cr       4.35269000       0.53754000      15.89998000      -1.64199053       1.11362245      -1.64316617
Cr       2.86980000       3.34692000      15.90883000       2.19769061      -3.13985516      -2.51493643
Cr      -1.54484000       2.79342000      25.55790000      -3.19321328       0.82070292      -1.73528204
Cr       1.22927000       2.79143000      25.34591000       2.17300544      -0.71902479       0.78958795
Cr       2.76113000       0.22779000      25.44883000       0.24133583       2.42846393      -1.87360381
Cr       1.96665000       4.31363000       6.41371000      -2.07591866      -1.88416829      -1.62377876
Cr      -1.12710000       4.21818000       6.20675000       1.68308596      -0.01712357       0.30270486
Cr       0.24925000       1.74462000       6.12995000       2.02105032       0.07175158       0.47335107
Cr       2.65825000       4.95749000      18.11390000       1.89345616      -1.07382304       2.50419670
Cr       2.83843000       1.97300000      27.89465000       1.27272514      -0.63371768      -2.27737660
Cr       0.14868000       3.40262000       8.69827000       0.49817273      -1.43716603      -0.45625931
Cr      -2.77555000       5.02047000       3.84099000       2.23200865       0.72255207      -1.85030305
Cr       2.99530000       1.57704000      13.43757000       1.57911162       0.33209507      -0.05939017
Cr      -0.22175000       3.48903000      23.00657000       0.87120346      -0.48280255      -1.50825175
Cr      -0.23934000       1.70599000      20.62176000       1.31542181       0.04135754      -1.17112395
Cr       1.22254000       4.27155000      20.50307000      -1.04863934      -0.56295952       0.66304369
Cr      -1.80010000       4.11345000      20.59394000       0.39328302       0.64661351      -0.09179737
Cr       2.97665000       3.38170000       1.40252000       2.41058258       2.41393493       3.79797942
Cr       1.47329000       0.92002000       1.47113000      -0.59742571      -0.34459605       1.16520879
Cr       4.48273000       0.82634000       1.45504000      -1.24124806       0.85808649       1.78628529
Cr       0.21268000       5.01683000      11.07999000      -0.81786855       0.71601270       0.12374538
Cr      -1.32545000       2.49798000      11.14756000       2.22604641       0.24548994      -0.48080476
Cr       1.73005000       2.58320000      11.17511000      -0.91844544      -1.30004189      -0.94127125
O        1.06760000       0.59496000      19.38972000      -0.84616649       0.16071416       0.17585061
O        4.43339000       0.74809000      19.32094000      -1.28540573       0.23953301       0.46580673
O        2.59138000       3.35177000      19.45864000       0.86078274       1.17066113      -0.66399749
O        4.41595000       2.42979000       0.39100000      -0.41974227       1.29446609      -0.82777990
O        1.52966000       2.83072000       0.41863000      -0.68833316      -2.49768994      -0.76721055
O        2.91641000       0.28043000       0.29781000       0.16901907      -0.00279467      -0.46739697
O        1.54826000       4.11204000       9.97256000      -0.16872024       0.57798533      -0.93794787
O       -1.34395000       4.07132000       9.94137000       2.32880670       0.27262920      -0.03920924
O        0.28248000       1.92169000       9.94093000      -0.80977725      -1.19367275       0.01452063
O        1.81766000       0.78339000      12.22349000      -1.57265742       0.58335174      -0.37495091
O        4.57934000       0.77877000      12.15949000      -0.55203547       0.61842803       1.25126649
O        3.19121000       3.20467000      12.27062000      -0.35270003      -0.03541920       1.15422815
O       -1.48332000       2.57153000      21.82590000      -1.15954156      -0.12805113       0.00748852
O        1.30528000       2.75417000      21.73274000      -1.74919860      -1.12466630       0.40123389
O       -0.27816000       4.89304000      21.61907000      -0.30701673       1.13878580       0.70950485
O        1.74052000       4.36852000       2.64448000      -0.47332139      -0.67987350       0.11412041
O       -1.58116000       4.36390000       2.47381000       1.02272037      -0.49386534       0.54023475
O       -0.00850000       1.57796000       2.69128000       0.78574057      -0.07720491       0.22278927
O        1.76888000       0.65357000       5.10445000      -1.09382828       1.21460965      -0.58777446
O        4.90089000       0.69647000       5.05169000      -1.26459468       0.59277830       1.96963704
O        3.34981000       3.51954000       5.18873000      -1.13518361       1.58680370      -0.53848014
O        4.25639000       2.17321000      14.76642000       1.29961626       1.39787080       0.97008580
O        1.72987000       2.47633000      14.64526000      -2.08582319      -0.74215973      -0.02248457
O        2.91603000       0.03250000      14.69052000      -0.88578793      -0.25805776       0.60318135
O        1.06497000       4.40023000      24.22873000       0.67259964       0.00106538      -0.15668169
O       -1.51839000       4.20718000      24.17087000      -1.23202221       2.11386866       0.94161004
O       -0.39761000       1.95042000      24.36091000       2.75707511      -0.66532443      -1.05108011
O        5.57146000       0.06185000      21.57376000       0.81853079      -1.05804981       0.60990891
O        2.94216000       1.67255000       2.43553000       0.68595513       0.84956993       1.23787766
O        0.22967000       3.44633000      12.21000000      -0.46979465      -1.28319846       0.04412580
O       -2.48986000       5.09846000       7.31093000      -0.09222279       1.13990700       0.54971493
O        2.83335000       1.45348000      16.90547000       0.88351720       0.85955042       0.14906962
O       -0.21573000       3.77855000      26.42703000       1.36086292      -1.37163901       0.62108049
O        0.02988000       0.05415000       0.48419000       0.12682176      -0.27975873      -1.84531530
O        3.25218000       1.64934000      10.01338000      -1.14447425      -0.39851787       0.35759456
O       -0.33404000       3.34994000      19.46550000       0.55578587      -0.06182779       0.76802787
O       -0.12713000       1.36077000      16.90616000      -0.43519877       0.43788937       0.47988307
O        1.40591000       3.79550000      16.88262000      -0.67975071       3.20488399       1.17695075
O       -1.71955000       4.29044000      16.95842000      -0.80466783       0.46275779      -0.19242005
O        2.86884000       3.58632000      26.49052000      -1.28747533      -0.62632978       0.09053062
O        1.61325000       1.26711000      26.61288000      -2.37463847      -0.44522155      -0.95550547
O        4.22800000       1.30926000      26.63400000      -1.33824946      -1.93206706      -0.25667414
O        0.37784000       4.84246000       7.38457000      -0.49724764       0.50404367      -0.02834262
O       -1.15779000       2.58022000       7.25439000       0.69975161      -0.48990781       1.02974042
O        1.64020000       2.62699000       7.27751000      -0.11291990      -0.55540664       1.30820492
Zn       5.68377000       0.27602000      27.14457000       1.38112696      -0.30148466       0.72034038
Zn       3.20310000       1.45891000       8.09706000      -0.35291624       1.90578252      -0.15663328
Zn      -0.32973000       3.19144000      17.53725000       0.57108785      -0.33104656       0.73811056
Zn       5.70812000       0.13720000      23.49714000      -0.09548205      -0.22086278       0.72736967
Zn       3.32304000       1.77964000       4.78593000      -0.62638490      -2.21875059      -1.78653917
Zn      -0.17646000       3.31042000      14.21087000       0.77032186      -0.44516961      -1.07280905
Zn       0.07055000       0.23808000      13.49831000       0.05095517      -0.93901997      -1.14327148
Zn       2.55571000       1.75425000      22.90442000       0.64573370      -0.06733604      -0.23567169
Zn       0.59758000       3.34245000       3.76123000      -1.62412086      -0.74439732       0.13925041
Zn      -2.80473000       5.07663000       9.25520000      -0.00410988       0.89217308       0.62722824
Zn       2.66377000       1.49626000      18.92049000       0.24833070       0.18454753      -0.34939430
Zn      -0.00291000       3.51688000      28.27063000      -1.09394053       0.51649064       1.44041533
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.72468022 magmom=72.0054876 free_energy=-551.72468022 stress="-0.04442616451016435 -0.003637268416193831 -0.003921338695394849 -0.003637268416193831 -0.05322000370185405 0.00558225078551839 -0.003921338695394849 0.00558225078551839 -0.04429911208201298" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37946000       0.78163000      15.88725000      -0.04685690      -0.84857886      -1.25912746
Cr       4.32910000       0.61753000      15.99193000      -0.17292899       0.72605585      -1.71504234
Cr       2.88837000       3.28534000      15.97463000      -0.73420479      -1.57022921      -2.12373479
Cr       4.22897000       2.75325000      25.45238000       0.58272913       0.29191171      -0.91538985
Cr       1.25281000       2.70547000      25.33801000       2.57965117       0.07980039       0.05620594
Cr       2.80838000       0.22074000      25.38345000       1.08466864       0.08631854      -0.20210774
Cr       1.95326000       4.28624000       6.33881000      -1.01343765      -1.31046108       1.06488458
Cr      -1.04332000       4.15781000       6.23138000      -0.34577159       0.82661477      -0.22280479
Cr       0.28230000       1.73533000       6.19065000       1.99943073      -1.33072322      -0.25297732
Cr       2.58623000       4.94245000      18.17792000       2.60345538       0.50601345       3.08226122
Cr       2.83645000       1.90222000      27.83048000      -1.02481230      -0.69663268      -2.41465984
Cr       0.17717000       3.34594000       8.74540000       0.20314718      -1.43930671      -1.98800226
Cr      -2.84170000       5.05036000       3.74949000       1.71696878       0.75365769       0.85549904
Cr       3.16887000       1.63563000      13.53756000      -1.86461631      -0.42463905       0.99579824
Cr      -0.10382000       3.46050000      22.96948000      -1.98847481       2.99590822      -0.34287772
Cr      -0.23474000       1.76187000      20.60313000      -0.40278377      -3.04970648       0.58661651
Cr       1.17698000       4.21090000      20.52911000       0.44903265       2.09134559       1.46631628
Cr      -1.78549000       4.15164000      20.53356000       0.85581819       0.79518825       3.36900528
Cr       3.11643000       3.45502000       1.34351000      -2.97418335       1.40601552       1.31807176
Cr       1.47176000       0.88899000       1.38861000      -1.15807370       1.89596897       1.39123261
Cr       4.44215000       0.83231000       1.41554000      -0.79057441       1.77603198       0.07952062
Cr       0.15836000       5.07223000      11.03823000       0.71738720      -0.42063210       0.56671328
Cr      -1.22936000       2.45348000      11.18748000      -0.83282303       0.10287585      -1.25765742
Cr       1.72560000       2.51202000      11.23533000       0.08740440      -0.56034978      -2.59041913
O        1.01863000       0.48073000      19.30256000       0.72516732       2.69839827       0.64927752
O        4.31664000       0.77131000      19.40800000      -0.19955013      -0.34960470       0.06949074
O        2.70111000       3.39878000      19.55385000      -1.58598571      -0.03266260      -1.66755443
O        4.32515000       2.57518000       0.26488000       1.00263904      -1.46126937      -0.55773785
O        1.53873000       2.78741000       0.39741000       0.09260232      -1.79057757      -0.25935098
O        2.76670000       0.24309000       0.19236000       1.89011358       0.65225463       0.64489114
O        1.46613000       4.03578000       9.92102000       1.60182955       1.49231300       0.60148930
O       -1.17793000       4.06774000       9.96125000      -0.23231018       0.78993219       0.02504152
O        0.12556000       1.77887000       9.93732000       0.72996450       0.47258605       0.64914967
O        1.92488000       0.87015000      12.22492000      -1.72931342      -0.58021400       0.87229152
O        4.50040000       0.85501000      12.41300000       0.13779332      -0.18674330      -1.89400623
O        3.20250000       3.06276000      12.31441000       0.28387702       2.75735420       0.48321968
O        4.37129000       2.59419000      21.84684000       0.00969111       0.31066693      -0.19924507
O        1.19475000       2.73889000      21.80824000      -0.07529157      -1.59133570      -1.06123996
O       -0.26507000       4.97759000      21.67643000      -0.25151447       0.20076117      -0.04194675
O        1.63651000       4.42992000       2.59526000       0.33148641      -0.62542946      -0.12804752
O       -1.57216000       4.35004000       2.39569000       1.58045853       0.52813369       1.97984662
O       -0.01878000       1.52440000       2.70411000       0.29802657       0.92685319      -0.92008443
O        1.80668000       0.57846000       5.11034000      -2.02199662       0.95227935      -0.80384842
O        4.82737000       0.76996000       5.23310000       0.59658091      -0.55250580      -0.80962639
O        3.29304000       3.65595000       5.11759000       0.22540171      -2.05002654      -0.20928102
O        4.41931000       2.29317000      14.99266000      -1.01698128       1.00280395      -0.64123905
O        1.54711000       2.30124000      14.66854000       0.53210634       0.92586995       0.26955157
O        3.00686000       0.08312000      14.68023000      -1.04588061      -1.23089690       0.87175041
O        1.28825000       4.39545000      24.26380000      -1.11931436      -0.48489346      -0.03607553
O       -1.40741000       4.41936000      24.34280000      -1.38197631      -1.09793975      -1.36586889
O       -0.14091000       2.05195000      24.19502000      -0.94000720      -1.35036828       1.24228082
O        5.61294000       0.02665000      21.60253000       0.44987395      -0.18807716       0.11931066
O        2.90016000       1.84935000       2.31549000       1.12138031      -1.58894109       1.84680157
O        0.24236000       3.27423000      12.06827000      -0.90254726       1.62515752       2.42186331
O        0.60653000       0.08083000       7.40459000      -1.59939701      -0.86605989      -1.21453601
O        2.84435000       1.49792000      16.94467000      -0.03383852       0.78344396       0.32390748
O       -0.03879000       3.58308000      26.36957000      -1.77115401       0.32661107       0.39713838
O        0.03738000       0.07448000       0.31482000      -0.57655064       0.17260095       0.68828579
O        3.18206000       1.78583000      10.07767000      -0.14485228      -1.61616991      -0.62290798
O       -0.34075000       3.34386000      19.51954000       1.09462655       0.12484834      -0.75262066
O       -0.11572000       1.37239000      17.01012000       0.02118477       0.33867017       0.05689651
O        1.39235000       4.07501000      17.03946000      -0.20249429      -0.38781952      -1.58735937
O       -1.80268000       4.28951000      16.99310000       0.76513769      -0.60284858       0.52185823
O        2.70488000       3.33960000      26.55953000       0.70625702       1.43328411      -0.87503902
O        1.43086000       1.11735000      26.40172000      -0.32745492      -0.40215967       1.13268410
O        4.11159000       1.13509000      26.57141000       0.23946213      -0.01080552      -0.93278378
O        0.41041000       4.81639000       7.38915000      -0.20758514       0.70576487       0.75726712
O       -1.02962000       2.53659000       7.31444000      -0.99949971      -0.00595048       0.95419972
O        1.59638000       2.47738000       7.31539000       1.38538615       1.81752917       0.96636575
Zn       5.69238000       0.17996000      27.04957000       0.64226677      -0.35663034      -0.36458989
Zn       3.19090000       1.56255000       8.06411000      -0.04103643       0.40863138       0.24967558
Zn      -0.20289000       3.21980000      17.55682000      -1.08580330       0.01347315       0.61714903
Zn       5.78503000       0.18383000      23.65105000       0.31985287      -0.33447675      -1.09486578
Zn       3.24170000       1.67750000       4.84295000      -0.09867109       1.40597120      -1.41796890
Zn      -0.18636000       3.33930000      14.06527000       1.40167695       0.20752301      -0.26476976
Zn      -0.00503000       0.16593000      13.39624000       1.61829634      -1.28971333       0.84910457
Zn       2.46259000       1.81259000      22.99505000       1.59835063      -0.49077181      -0.58155638
Zn       0.53497000       3.38700000       3.69270000      -1.55282171      -1.08248042       0.43931304
Zn       0.11210000       0.03964000       9.28075000       0.26271648      -1.44903534       0.24982253
Zn       2.59506000       1.60794000      18.95462000       0.09003014      -0.89576419      -0.05834440
Zn      -0.00838000       3.57809000      28.30408000      -0.14056070      -0.80399163      -0.13475417
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.9090057 magmom=72.0009416 free_energy=-552.90922072 stress="-0.028098521389933392 -0.0021212217903310952 0.00302682139224984 -0.0021212217903310952 -0.046483955834290505 0.0068385332976143255 0.00302682139224984 0.0068385332976143255 -0.03400985428984235" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37139000       0.67713000      15.86561000      -0.57119371       0.02489337       0.58919111
Cr       4.34447000       0.72112000      16.05542000      -0.07842592       1.21817131      -2.19036035
Cr       2.86895000       3.19581000      15.96107000      -1.81918243       3.16982310      -0.01491043
Cr       4.13505000       2.73207000      25.33343000       3.23272846      -0.17110335      -0.80466422
Cr       1.39747000       2.62204000      25.35199000      -3.08711333       0.73330349      -1.25491531
Cr       2.86416000       0.21825000      25.29917000      -2.24556918      -3.02053981      -0.78906622
Cr       1.87145000       4.18492000       6.32307000       0.24166394       1.05516619      -0.39082110
Cr      -0.98656000       4.15230000       6.24413000      -2.33374135       0.48394251      -0.87654945
Cr       0.41293000       1.67654000       6.25352000      -1.21356608      -0.30627972      -0.00231403
Cr       2.62709000       4.95969000      18.30403000       1.27254043       1.59010069      -1.46879558
Cr       2.80156000       1.83218000      27.73325000       0.50694674      -0.95874456      -2.62410057
Cr       0.23400000       3.23649000       8.71056000       1.21534687       2.29256025       1.55968969
Cr       0.15001000       0.00675000       3.71179000      -0.16751140      -0.39777806       1.37152444
Cr       3.21314000       1.66969000      13.66008000      -2.98721438      -0.20756946      -1.13776067
Cr      -0.11140000       3.56642000      22.91468000      -1.34633892      -1.25567490       1.45594891
Cr      -0.26466000       1.64879000      20.60252000      -0.93088322       0.50963565       0.52067181
Cr       1.18229000       4.27073000      20.59229000       0.47219483      -0.65814357       1.21577412
Cr      -1.73666000       4.23192000      20.62112000       0.56888379      -0.36462962      -0.41563778
Cr       3.11827000       3.52477000       1.33026000      -1.22852671      -0.56569056       1.74589288
Cr       1.44879000       0.96980000       1.36760000       0.57647908      -1.39437135       2.35345758
Cr       4.35576000       0.94104000       1.38365000       2.35136031      -0.35791839       0.98249236
Cr       0.14666000       5.10189000      11.05960000       1.04109952      -1.02375823       2.30579937
Cr      -1.19760000       2.44354000      11.16395000      -2.86946153       1.98334935       0.51560424
Cr       1.71514000       2.43646000      11.17326000      -0.33446471       2.14259039       0.95750269
O        1.02495000       0.75334000      19.42252000      -0.74293050      -1.18883811       0.62205977
O        4.20908000       0.75182000      19.53357000       0.47602313       0.16743951      -0.94707982
O        2.61249000       3.49986000      19.44569000       0.46686369      -0.56151342       1.42104006
O        4.35541000       2.51061000       0.12870000      -1.13357580       0.29967872       0.80598697
O        1.47596000       2.46469000       0.30009000       0.42503428       2.90547922      -0.25759971
O        2.94692000       0.29840000       0.25275000      -0.51317872      -0.77717578      -0.05844624
O        1.57703000       4.17125000       9.94824000      -0.57495034      -1.11853155       0.26385772
O       -1.00204000       4.13165000       9.95975000      -2.34031165      -0.80678807      -1.29031598
O        0.13524000       1.77685000      10.02929000       1.69961346      -0.25147155      -0.84383962
O        1.76518000       0.89269000      12.31584000       0.35173009      -0.30742082      -0.00412237
O        4.40860000       0.92351000      12.30039000       0.97425586      -0.83124482       0.35734904
O        3.21069000       3.28598000      12.42016000      -0.26187225      -0.87574375      -0.75334385
O       -1.51727000       2.69887000      21.80510000      -0.71697221      -0.48289890       0.55983626
O        1.01282000       2.51961000      21.71169000       2.24357875       1.07499957       1.08526632
O       -0.28715000       5.03628000      21.72369000       0.32621598       0.81496483       0.02463069
O        1.68210000       4.42164000       2.50714000       0.01802230      -0.70428139       0.47296067
O       -1.42127000       4.43625000       2.56958000      -0.30037504      -0.68690270      -1.13256363
O        0.03894000       1.56189000       2.55040000      -0.33776633       1.21462912       0.67746044
O        1.49307000       0.67425000       5.00109000       2.19946759       0.21218823       0.50981262
O        4.89115000       0.72457000       5.28344000      -1.20447808       0.58947274      -1.24409230
O        3.24755000       3.51466000       5.03728000       0.46868580       0.23480775       0.79373363
O        4.35351000       2.52657000      15.05768000       0.85223992      -1.41580423      -1.76202948
O        1.50838000       2.27273000      14.76445000       0.89653232       0.76527540      -0.54143981
O        2.91279000       0.00685000      14.83915000       0.48256719       0.59174168      -0.66964429
O        1.26494000       4.29642000      24.28641000       0.43416947       0.62823747      -0.86525322
O       -1.48281000       4.40919000      24.30135000       0.60433716      -1.31869271      -0.79876739
O       -0.04457000       2.02268000      24.22790000      -1.56198619       0.22700503      -0.36198429
O        2.77313000       5.05920000      21.62287000      -1.20058086       0.29201644       1.14275870
O        3.05156000       1.80316000       2.45959000      -1.00094619       0.56828429       0.09129052
O        0.15090000       3.34544000      12.19470000       1.27777276       0.11351452      -2.56276687
O        0.44678000       0.00063000       7.23827000       0.05335254      -0.79828446       1.30124051
O        2.85417000       1.63760000      16.96698000      -0.50137054      -1.54901707       0.97088408
O       -0.14249000       3.43720000      26.30584000      -0.21160443       1.09142880       0.75656770
O       -0.04649000       0.10437000       0.32328000       0.40013835      -0.36425375      -0.18110809
O        3.09641000       1.61880000      10.06936000       0.79725669       0.90514964      -0.85556876
O       -0.18381000       3.36041000      19.57567000      -1.01133225       0.08161223      -0.42741679
O       -0.08282000       1.40006000      17.08119000       0.06062993      -0.19658605      -0.32725001
O        1.34415000       4.22581000      16.94851000       1.29049229      -1.39762816       0.87512540
O       -1.78611000       4.21705000      17.08078000      -0.42107207       0.07183662       0.22166318
O        2.69112000       3.33263000      26.47411000       1.22433123       0.53174192       0.98693511
O        1.30046000       0.98131000      26.33724000       2.66167437       0.64458981       0.85246265
O        4.06598000       1.01614000      26.38023000       1.63066091       1.57280221       1.49330745
O        0.38017000       4.86121000       7.47285000      -0.20318763       0.09586372      -0.50295269
O       -0.99146000       2.51544000       7.45120000      -0.50668820       0.02666392      -1.18118321
O        1.69910000       2.64426000       7.46621000      -0.44980208      -0.88966068      -0.52335471
Zn       5.72512000       0.07583000      26.96006000      -0.82922899       0.30816254       0.70336207
Zn       3.18276000       1.67273000       8.05293000       0.98624946      -0.78597707       0.91488765
Zn      -0.14208000       3.24740000      17.60010000      -0.77246398       0.10095169       0.45997902
Zn      -0.04725000       0.20319000      23.72992000      -1.36232142      -0.30300754      -1.62545988
Zn       3.16360000       1.64044000       4.81874000       0.54988252      -0.41267075      -1.63765209
Zn      -0.12960000       3.36921000      13.94332000       0.44745663      -0.13010604       3.09636134
Zn       0.00350000       0.04076000      13.35230000       0.58908220      -0.47343309       0.31654809
Zn       2.45942000       1.83921000      23.05069000       0.88439954      -0.16098718      -1.64244336
Zn       0.40166000       3.37187000       3.66737000      -0.64613260      -0.06524234      -0.45501237
Zn       0.09783000       0.03705000       9.31154000       1.25771193      -1.15674044      -0.42393451
Zn       2.54816000       1.66463000      18.97231000       1.25609292      -0.04414812      -0.54680707
Zn      -0.01880000       3.59633000      28.33203000       0.25255607      -0.59682182      -0.95758873
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.42183318 magmom=72.0004854 free_energy=-553.42183318 stress="-0.03550449575378051 0.006571095054890468 0.009938036277204926 0.006571095054890468 -0.03197265803592982 -0.0079416548617759 0.009938036277204926 -0.0079416548617759 -0.029698156403157025" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32356000       0.57851000      15.87848000       0.76206831       1.45446317       0.42834445
Cr       4.38517000       0.85496000      16.05946000      -1.30815363      -1.29206825      -1.54637137
Cr       2.77260000       3.27967000      15.97525000       2.04858541      -0.13604595      -0.17441422
Cr       4.21846000       2.68332000      25.22053000       0.37877334      -1.00419889       1.00398006
Cr       1.39957000       2.58316000      25.34227000      -2.32130052       1.71996303      -1.12819003
Cr       2.82473000       0.07455000      25.21898000       0.99702736      -0.27602841       0.36923208
Cr       1.78552000       4.14229000       6.28202000      -0.27209034       1.59182338      -1.42029133
Cr      -1.06707000       4.17296000       6.20887000      -1.19803135      -0.56806329       0.02435896
Cr       0.46369000       1.59439000       6.32069000      -3.25588711       0.61864542       0.16394810
Cr       2.72383000       5.06966000      18.38009000      -0.20523661      -1.23968352      -1.25774786
Cr       2.79764000       1.72634000      27.55248000       2.89392894       1.06638136       3.71351821
Cr       0.34072000       3.26201000       8.74094000      -1.70445529       2.26812840       0.02738907
Cr       0.19367000       0.04987000       3.75432000      -1.14539624      -0.67137543       0.04685910
Cr       3.06430000       1.68239000      13.68822000      -0.72640312      -1.08183081      -3.40344211
Cr      -0.20318000       3.60299000      22.92603000       2.38463884      -3.13643571      -1.63221111
Cr      -0.35252000       1.56844000      20.65292000       0.10898274       4.44060081       2.64796521
Cr       1.22966000       4.31330000      20.68244000      -0.82512651      -2.33871815       0.55708259
Cr      -1.67589000       4.30310000      20.69925000      -0.77992120      -0.84846103      -0.49561487
Cr       3.01890000       3.53261000       1.38164000       0.34117956      -1.10238450      -0.12760606
Cr       1.47864000       1.01594000       1.43777000       1.14265530      -0.80604449      -0.45374727
Cr       4.39402000       1.04139000       1.40673000       1.74280557      -1.89282663       0.67595820
Cr       0.18130000       5.07261000      11.17500000      -0.66767078       1.12523457      -1.82184696
Cr      -1.32119000       2.53657000      11.14214000       0.50560853      -0.09669966      -0.98556861
Cr       1.70387000       2.47654000      11.15373000       1.35182988       0.35864422       1.04857008
O        0.99074000       0.82160000      19.63282000       1.11991457      -1.10421179      -1.73359295
O        4.19618000       0.74839000      19.51348000       0.49847097       0.15401713      -0.65585668
O        2.60652000       3.52491000      19.56721000       1.14694447       0.53403280       0.01830016
O        4.20743000       2.48217000       0.14263000       0.57637525       1.30443082      -0.00708475
O        1.53665000       2.57748000       0.19712000       0.62658577      -0.07831199       0.41894309
O        3.02967000       0.24178000       0.30063000      -1.42758151       0.57029138      -0.60411202
O        1.56244000       4.11903000      10.06222000       0.39711229       0.51489067      -0.94103939
O       -1.17203000       4.07246000       9.81505000       0.52745672      -0.11604784       1.07790109
O        0.37280000       1.82584000      10.02953000      -2.23211904      -1.56279657      -1.07365528
O        1.71258000       0.89293000      12.39154000       0.57046136      -0.27041542      -0.28837245
O        4.47653000       0.88858000      12.22599000       0.08051829       0.22736227       1.61342357
O        3.16645000       3.29922000      12.37608000      -0.03524287      -1.20101542      -0.28665325
O       -1.55886000       2.75772000      21.81929000      -0.55783762      -1.23827712       0.32365597
O        1.13643000       2.49659000      21.73792000      -0.40460703       1.16344044       0.69577623
O        2.70663000       0.00936000      21.75125000       0.19529480       0.42198441       0.38181495
O        1.78312000       4.36104000       2.51211000      -1.40702198       1.08342473       1.74307542
O       -1.42797000       4.44832000       2.54604000      -0.12668864      -0.33016054      -0.32653843
O        0.05563000       1.73694000       2.48954000      -0.40529683      -0.46569297       1.37903877
O        1.51151000       0.77366000       4.99672000       0.88628402      -1.31791052       0.74312545
O        4.81166000       0.74009000       5.12149000       0.50114948      -0.24936032       0.69071561
O        3.29381000       3.46758000       5.13608000      -0.20471044       0.68908404      -0.43121045
O        4.30233000       2.50566000      14.85325000       1.07200981      -0.00374550       1.06478361
O        1.64412000       2.35023000      14.79074000      -2.16098220      -0.17979780      -0.67489006
O        2.90141000       0.07404000      14.90269000       0.86566564      -0.66603943      -1.16706166
O        1.23754000       4.27037000      24.17358000       0.56201136      -0.15751905       0.32024105
O       -1.48407000       4.16216000      24.08693000      -1.74171683       3.29667015       1.41312034
O       -0.22639000       2.04913000      24.21465000       1.69855650      -1.31266642      -0.54070072
O        2.70332000       5.04480000      21.75676000       0.04941656       0.51986731       0.01023112
O        3.04728000       1.80897000       2.54313000      -0.95124470       0.37639968      -0.27112468
O        0.24639000       3.43013000      11.99411000      -1.12264663      -1.69510531       3.23678759
O       -2.67667000       4.90843000       7.26029000       1.19373429       1.31100972       0.92064562
O        2.78496000       1.55848000      17.03048000       0.12234264       0.06370843      -0.49211646
O       -0.29675000       3.51105000      26.30327000       1.72539216       0.30313335       0.11163868
O       -0.03004000       0.08310000       0.37793000       0.56642844       0.71675493      -1.11983995
O        3.14539000       1.57478000      10.03058000       0.27487390       0.91596348       0.72790072
O       -0.18619000       3.40371000      19.62405000      -0.77234653      -0.22252879      -0.07010869
O       -0.00781000       1.39290000      17.05110000      -0.24779193       1.03373008       0.53474984
O        1.47877000       4.14391000      16.92910000      -1.31130897       1.82887335       1.77658477
O       -1.84114000       4.18122000      17.17304000       0.65149717       0.19932020      -0.29842974
O        2.87208000       3.36484000      26.41255000      -1.17704413      -1.21183256      -0.64205227
O        1.61559000       0.95231000      26.38554000      -3.07335644      -0.57784420      -0.92763203
O        4.24917000       1.11823000      26.33247000      -0.89028991      -1.59242243      -0.32332942
O        0.30068000       4.87207000       7.43562000       0.30612288       0.41444688      -0.23079872
O       -0.96864000       2.55436000       7.39146000       0.22976988      -0.34894137      -0.12083973
O        1.69420000       2.68168000       7.50173000       0.11614301      -1.77394015      -0.67464589
Zn       5.72619000       0.00668000      26.91183000       0.34944273       1.72385205       1.75087030
Zn       3.22743000       1.74222000       8.08237000       1.15468573      -0.93103887       0.22357282
Zn      -0.12501000       3.28277000      17.66734000      -0.21264091       0.30960687       0.29539037
Zn      -0.04262000       0.20335000      23.72644000      -0.91959745      -0.23017649      -0.96960911
Zn       3.11999000       1.59229000       4.70444000       1.62622125       0.79694570      -1.72832835
Zn      -0.03747000       3.39294000      13.94832000       0.48767562      -0.12961425       0.74488548
Zn       3.00148000       5.00329000      13.33266000       0.15742137       0.75130346       0.01317716
Zn       2.51232000       1.85503000      23.03775000       0.68005087      -0.04099239      -1.57949937
Zn       0.22891000       3.35125000       3.64012000       0.03635212       0.68146871      -0.32475578
Zn      -2.80200000       5.07366000       9.31188000       0.47210289      -0.13443054       0.03561226
Zn       2.55874000       1.71004000      18.96496000       0.42495024      -0.00195737       0.11305375
Zn      -0.02462000       3.57575000      28.31486000      -0.81577355      -0.91423927      -0.13529181
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.21318259 magmom=72.0060993 free_energy=-552.21318259 stress="-0.04425291461599138 -8.12172255609536e-05 -0.004815344731561321 -8.12172255609536e-05 -0.03597495050902692 -0.00454047147209502 -0.004815344731561321 -0.00454047147209502 -0.041360823613136574" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31328000       0.55984000      15.93637000       1.83254010       2.23702722      -1.43203381
Cr       4.37508000       0.91254000      16.01912000      -0.55116597      -0.98280900      -0.75688473
Cr       2.74142000       3.40008000      16.00074000       0.55320831      -2.02891206      -0.94153311
Cr       4.33244000       2.56859000      25.17786000      -1.63224844       0.99552844      -0.30604774
Cr       1.29015000       2.62299000      25.31164000       1.13191854      -1.24061730      -0.96036746
Cr      -0.12790000       5.04188000      25.18060000      -0.03439274       3.93610181      -0.73716608
Cr       1.67915000       4.19263000       6.17071000       0.28017834      -0.88705485       0.85456759
Cr      -1.21582000       4.16328000       6.18671000       1.83717998      -0.69801121       1.70457038
Cr       0.32735000       1.53490000       6.39386000      -0.14373396      -0.60578829      -1.77708797
Cr       5.74906000       0.04116000      18.41678000      -0.40439725      -1.02936425      -0.74730329
Cr       2.92597000       1.67303000      27.48756000      -0.71541438       1.22263253       2.06299306
Cr       0.36295000       3.42210000       8.77041000      -1.47295220      -1.97101405      -2.96733594
Cr       0.18445000       0.05582000       3.81868000       0.99227888      -0.39693571       0.57541126
Cr       2.86521000       1.64016000      13.53950000       4.20547141      -0.07957109       2.58428287
Cr      -0.20810000       3.46708000      22.88223000      -0.40035785       1.66818530       2.30546344
Cr      -0.43620000       1.70410000      20.80348000       1.88158745      -0.29151982      -1.98239954
Cr       1.25955000       4.24290000      20.77342000      -0.40528421       1.48761426      -1.83818069
Cr      -1.66496000       4.33165000      20.74368000      -0.66692243       0.40831604       1.53857539
Cr       2.90467000       3.50557000       1.44278000       0.72140342       2.13026720      -0.46644346
Cr       1.57590000       1.00322000       1.48224000      -1.95101824      -0.46876229      -1.97155057
Cr       4.54629000       1.05162000       1.47263000      -1.72478084      -0.97391417      -0.93988350
Cr       0.20996000       5.07336000      11.23708000       0.48281503      -0.15737327      -0.57793778
Cr      -1.41778000       2.63106000      11.08217000       4.49181598      -3.35805897       2.14303045
Cr       1.71740000       2.53361000      11.17812000      -3.19346193      -2.08337299      -1.79803287
O        1.12803000       0.73221000      19.61056000      -0.06044710       1.93477043       0.41793434
O        4.28275000       0.78587000      19.43644000       0.19431352       0.22726127       1.44503971
O        2.80659000       3.59485000      19.75029000      -1.29811188      -0.91586465      -1.99856803
O        4.14782000       2.62709000       0.22428000       1.69054900      -0.96473585      -0.40450400
O        1.71254000       2.77273000       0.14472000      -1.81372758      -1.56738850      -0.18384377
O        2.87350000       0.29536000       0.24226000       1.52311492      -0.48190895       0.34089577
O        1.53906000       4.11560000      10.06792000       0.99657086       1.21094515       0.22666391
O       -1.22090000       3.95555000       9.84725000       1.33130543       2.32396408      -0.22930867
O        0.32082000       1.72897000       9.87127000      -0.44143721       1.27857000       0.82071034
O        1.78394000       0.84712000      12.32139000      -2.21153405      -1.38725547      -1.53609715
O        4.49220000       0.87478000      12.40134000      -0.66444638      -0.34799053      -0.43397092
O        3.10242000       3.06392000      12.27309000       0.12944578       3.27238383       1.62894643
O        4.25588000       2.65450000      21.88221000      -0.75548382       0.39087330       0.19519702
O        1.16984000       2.74125000      21.88922000       0.18377558      -2.32081663      -0.90429172
O        2.77994000       0.04002000      21.81932000      -0.56020533      -0.52491382      -0.00291906
O        1.72074000       4.48803000       2.76063000      -1.19227061      -0.10219948      -1.54483628
O       -1.55545000       4.42598000       2.43314000       0.99349231      -0.27056834       1.30035900
O        0.02434000       1.72673000       2.63623000       0.73008150      -0.63132048      -0.17860888
O        1.64996000       0.62458000       5.18081000      -0.60905389       1.65439828      -1.27645546
O        4.82100000       0.70291000       5.08240000      -0.52639089       0.99816436       1.12010523
O        3.25189000       3.59642000       5.15123000      -1.37418145      -1.84952748      -2.17753074
O        4.37253000       2.38587000      14.76938000      -1.17453883       1.13213867       0.53235208
O        1.52354000       2.40603000      14.73519000       0.40860574      -0.61262721       0.90794137
O        3.01267000       0.11019000      14.77180000      -0.99504807      -0.53812692       0.65620436
O        1.23878000       4.18369000      24.10585000      -0.07272408       0.05805350       0.24563868
O       -1.57644000       4.30966000      24.09408000       1.55084485      -1.68933071       0.68323656
O       -0.13839000       1.94552000      24.10139000       0.45167516       0.84026471       0.51376919
O        5.55620000       0.05143000      21.78960000       1.05966031      -0.00518807      -0.66711508
O        2.89123000       1.87495000       2.49770000       1.73880916      -0.42550029       1.05281454
O        0.17058000       3.29237000      12.15962000      -0.22163890       0.88845064      -0.91689434
O       -2.69555000       4.90297000       7.38884000      -0.32796971       0.38066159      -1.12479934
O        2.74203000       1.46651000      16.95138000       0.29549055       1.55780425       0.46286968
O       -0.15691000       3.59045000      26.28129000       0.05087393      -2.55839432       1.11594608
O        0.09158000       0.16127000       0.32201000      -0.93051095       0.28416314       0.73271419
O        3.22425000       1.70240000      10.13530000      -1.71934884      -1.46754593      -1.52632098
O       -0.33248000       3.40898000      19.73134000       1.33329660      -0.43937424      -0.53021882
O        0.04309000       1.54234000      17.05290000      -0.88332887      -0.53408179       0.36784706
O        1.49802000       4.35352000      17.18797000      -0.55415673      -0.41116998      -0.82023184
O       -1.81827000       4.21262000      17.17192000       0.48209215      -0.31198995       0.00418313
O        2.86927000       3.19817000      26.23388000      -0.36716332       1.08293591       1.03565032
O        1.48291000       0.83207000      26.29612000       0.48282918       1.44048621       0.20591359
O        4.28706000       0.96786000      26.21596000      -0.97448888      -0.87438820       0.39015789
O        0.27132000       4.89796000       7.30611000       0.21025878       0.48841486       1.29261024
O       -0.90640000       2.57947000       7.29168000      -1.89384995       0.05841025       2.04794777
O        1.62286000       2.45484000       7.38287000       1.12722559       1.67845034       0.85935184
Zn       5.74959000       0.01147000      26.94899000       0.73333499      -0.77792556       1.01557778
Zn       3.34263000       1.76633000       8.12920000      -0.11545956      -0.57342601      -0.59753783
Zn      -0.12359000       3.33902000      17.76084000       0.00179236       0.53515318       0.24512291
Zn      -0.10185000       0.18740000      23.67016000      -1.31355576      -1.30599049      -0.33715080
Zn       3.15906000       1.57323000       4.47911000       0.32138981       0.92493891      -0.05451317
Zn       0.08743000       3.41032000      14.02202000      -1.07749826      -0.11557259       1.04441762
Zn       3.06516000       4.87178000      13.32059000      -0.36880702       0.84974550       0.04296138
Zn       2.61789000       1.86750000      22.95539000       0.73273987      -0.50440885      -0.20333109
Zn       0.03099000       3.37349000       3.61117000       0.37044320       1.17701015       0.56484481
Zn      -2.71355000       4.98529000       9.30627000      -0.52839053       0.84417441       0.14007189
Zn       2.60745000       1.76361000      18.95569000       0.75258333       0.06795311      -0.03004244
Zn      -0.06863000       3.50289000      28.28247000       0.03490700       0.09639772       0.45438779
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.71857653 magmom=71.9960793 free_energy=-552.71857653 stress="-0.02906583939337932 -0.008331765378859783 -0.004425230375949323 -0.008331765378859783 -0.0388500585652785 0.008021512774030364 -0.004425230375949323 0.008021512774030364 -0.03869138496668794" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38905000       0.67691000      15.95437000      -0.49356163       0.83734279      -0.68156038
Cr       4.34033000       0.90078000      15.96394000       0.41399661      -0.57211255       0.44424507
Cr       2.76515000       3.41135000      15.98409000       0.37858885      -0.52497478      -0.46454266
Cr       4.32020000       2.47999000      25.18050000      -0.12417266       0.37631602       0.03223769
Cr       1.28299000       2.58239000      25.26037000       3.02255516      -0.62884636      -0.49756853
Cr       2.82264000       0.00449000      25.16869000      -1.15079769      -0.33632050      -0.06202780
Cr       1.57845000       4.19589000       6.11114000       0.62960193      -1.90075583       0.90326313
Cr      -1.27771000       4.11013000       6.24318000       0.20034170       0.80482055      -0.78290342
Cr       0.17687000       1.49726000       6.39890000       2.33999625       2.92245331      -0.24731162
Cr       5.79343000       0.07777000      18.42579000       0.12229198      -0.01377316      -0.37738195
Cr       3.03241000       1.70926000      27.52249000      -1.69511037       0.70532231       0.74556240
Cr       0.30509000       3.49109000       8.65549000       0.90167579      -1.43252523       0.61305969
Cr       0.19620000       0.03071000       3.90696000      -0.90894534       0.03217485      -0.52053834
Cr       2.87228000       1.57822000      13.48607000       0.60273871       0.98140902       1.16574917
Cr      -0.21720000       3.40171000      22.94391000       0.25302235       1.90605113       0.63553026
Cr      -0.41422000       1.82916000      20.82964000       2.65421385      -1.59555186      -1.49591017
Cr       1.28220000       4.24475000      20.74972000      -0.36839027       1.07135018      -0.99913271
Cr      -1.71092000       4.38519000      20.81523000       0.42132411       0.04229346      -1.06490834
Cr       2.84002000       3.57160000       1.46883000       1.04904026      -0.00421808      -0.58349587
Cr       1.59423000       0.95956000       1.42008000      -0.75457832       0.53771665       0.18647343
Cr       4.60386000       1.00883000       1.48889000      -3.24143481       1.09239058       0.37523708
Cr       0.26274000       5.08047000      11.24748000      -1.32331314      -1.09465500      -1.89295818
Cr      -1.30354000       2.54639000      11.11470000      -1.22700519      -1.09135860      -0.04213380
Cr       1.58009000       2.48724000      11.11658000       0.11576581      -0.38236658      -0.34980622
O        1.22943000       0.89666000      19.65288000      -1.15163836      -0.56839046       0.16445900
O        4.42073000       0.86118000      19.61347000      -1.47650637      -0.47690774      -0.84437335
O        2.81916000       3.56813000      19.62033000      -0.47460241       1.18462306       0.07114580
O        4.29086000       2.59966000       0.28811000      -1.20863089      -0.39000733      -0.03422120
O        1.68098000       2.66365000       0.12453000      -0.26179085      -0.50433674       0.90275183
O        2.96372000       0.31869000       0.24492000       1.07133293      -1.33215414      -0.06498473
O        1.62059000       4.25579000      10.06595000      -0.13659789      -1.05554372      -0.46953573
O       -0.98622000       4.14692000       9.94823000      -1.10614290       0.15121159      -0.19091587
O        0.14690000       1.86391000       9.84639000       0.24610117      -0.33098718       0.51413550
O        1.60827000       0.66736000      12.06633000      -0.11937087       1.41383164       1.72395500
O        4.33273000       0.81808000      12.49093000       1.34136723       0.80442198      -0.47066912
O        3.03783000       3.21939000      12.33044000      -0.18810840      -1.66588162      -1.05248564
O        4.16556000       2.65131000      21.93598000       0.73822067       1.18524071      -0.66316959
O        1.17944000       2.67445000      21.85417000       0.11753321      -0.75479518      -0.28766088
O       -0.20343000       5.01311000      21.88188000       0.07668081       0.77547609      -0.15253550
O        1.52164000       4.64186000       2.76856000       0.69138894      -1.50743620      -0.88223945
O       -1.57410000       4.40513000       2.51260000       0.42899829      -0.23441079       0.13210408
O        0.10385000       1.55595000       2.72869000       0.50428939       2.07390818      -0.53164921
O        1.57892000       0.65462000       5.20053000       0.12448118       0.32157287      -0.80066492
O        4.79164000       0.77781000       5.23065000      -1.47719948       0.17049596      -1.52364914
O        3.01916000       3.47153000       4.87041000       0.75754654       0.00149512       1.77583943
O        4.20792000       2.43053000      14.82773000      -0.20176703       1.12045888      -0.69067819
O        1.51736000       2.30940000      14.84904000      -0.01825380       0.51866975      -0.82519104
O        2.94435000       0.11103000      14.76133000      -0.50923111      -0.61461586       0.65850667
O        1.19427000       4.11102000      24.09969000       0.58757935       1.42650302      -0.15441698
O       -1.47798000       4.21900000      24.24535000      -1.74563035      -0.76186757      -1.34900753
O        0.03320000       1.93106000      24.05966000      -2.43172544      -2.13998161       0.54244389
O        5.63561000       0.14216000      21.65766000       0.00388565      -1.18097209       1.90955519
O        2.98378000       1.87613000       2.46062000       0.11064875      -0.12546971      -1.37652957
O        0.04236000       3.27217000      12.19796000       1.69300841       0.77515819       0.31108556
O       -2.75233000       4.97872000       7.28429000      -0.30310686      -1.53867776       0.93325442
O        2.77814000       1.65977000      16.88337000       0.43449240       0.28449664       1.79702638
O       -0.02615000       3.33036000      26.31549000      -2.20779805       1.04605040       0.34927982
O        0.04928000       0.27404000       0.41388000       0.38852803      -1.74015432      -1.09147137
O        3.07982000       1.64833000      10.10250000       0.66387173       0.31692631      -0.13212896
O       -0.28656000       3.39759000      19.80915000       0.30469520       1.47411641      -0.97747829
O       -0.04467000       1.57640000      17.08432000       0.00564124      -0.34474623      -0.05573100
O        1.39099000       4.51560000      17.30421000       0.75381371      -1.24056866      -1.60141931
O       -1.73350000       4.22419000      17.09577000      -0.61375776       0.45792296       0.42520360
O        2.81655000       3.21732000      26.21099000       1.25974231       0.25765387       1.49067930
O        1.35593000       0.92510000      26.16629000       1.63635676      -0.61921872       1.89098559
O        4.18251000       0.69979000      26.16737000       1.55998129       2.41821810       2.03233638
O        0.28313000       4.93790000       7.34925000      -0.76121877       0.22827748      -0.04674252
O       -1.05913000       2.61885000       7.47348000       1.38399795       0.56030612      -0.83426473
O        1.63042000       2.50481000       7.33003000      -0.39611169       0.88599596       0.32017624
Zn       2.85454000       5.09509000      27.04552000       0.14023032      -0.43185292      -0.09256718
Zn       3.44714000       1.75147000       8.15696000      -3.09544300      -1.48465911       0.67777695
Zn      -0.12176000       3.42162000      17.86659000      -0.00022583      -0.28328088      -0.24110149
Zn       5.68065000       0.10513000      23.59805000       0.37849281      -1.03179995       0.24921498
Zn       3.23433000       1.60843000       4.24540000      -0.35431632      -0.41393768       2.37530463
Zn       0.15939000       3.42252000      14.14732000      -1.23374889      -0.67927508       0.00233961
Zn       3.11488000       4.78996000      13.32306000      -0.28660948       1.84726411       0.76236155
Zn       2.75921000       1.84933000      22.86726000      -1.05097192      -1.15378910       0.61708854
Zn      -0.15096000       3.45512000       3.61388000       0.97390046      -0.02699438       0.23855920
Zn      -2.64530000       4.94058000       9.30686000       0.06720816       0.98320442       0.20819575
Zn       2.70241000       1.82087000      18.94131000       0.98578631      -0.83845212      -0.47567171
Zn      -0.10716000       3.43054000      28.26645000       1.56285954       1.05548266      -0.20178863
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.12354417 magmom=72.0022783 free_energy=-551.12354417 stress="-0.03142956520290276 0.004232712000636878 0.004905542483871451 0.004232712000636878 -0.03920826987765767 0.009577629114534138 0.004905542483871451 0.009577629114534138 -0.05093684373527466" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42249000       0.83424000      15.97824000      -1.53472098      -0.75390152       1.10719029
Cr       4.33151000       0.86119000      15.94953000      -0.13469755       0.84006532      -0.22210152
Cr       2.80855000       3.40969000      15.96005000      -0.73185588       1.80480327       0.10366693
Cr       4.26338000       2.40704000      25.25913000       1.18275768       0.70135150      -0.04092396
Cr       1.43218000       2.49773000      25.21286000      -1.76052454       1.34768692       0.64217636
Cr       2.76848000       0.10277000      25.20093000       0.77895661      -3.15139826       0.39366907
Cr       1.51027000       4.10564000       6.11047000       0.49562768       1.87501516      -0.44609927
Cr      -1.31101000       4.10445000       6.26441000      -0.70790567       2.15510493      -1.73847818
Cr       0.15865000       1.59946000       6.37489000       0.65977802       0.00525013      -0.92871351
Cr       5.83454000       0.09989000      18.41525000      -1.40880045       0.73607603      -2.30320127
Cr       3.03893000       1.77855000      27.57188000      -1.28941862      -1.77258426       2.64947281
Cr       0.29098000       3.47945000       8.59117000       0.67105147       0.87012429       3.36809575
Cr       0.15458000       0.01331000       3.94450000      -2.02698223       1.02543928      -1.97684762
Cr       2.93947000       1.57120000      13.51503000      -1.65382573       0.96194555      -0.60936785
Cr      -0.21843000       3.43789000      23.05069000       0.92118021      -1.73651898      -1.85743615
Cr      -0.24917000       1.84653000      20.74178000      -0.35789763      -0.34384630       0.54527717
Cr       1.29839000       4.32477000      20.65755000      -0.46633528      -0.24353408       2.41160561
Cr      -1.73846000       4.45814000      20.79310000       1.84473602      -1.20827231      -1.01294551
Cr       2.84849000       3.62809000       1.45522000       0.54904078      -2.37278286      -0.51270515
Cr       1.56870000       0.93124000       1.34837000       0.20019824      -0.92937048       1.47478434
Cr       4.49955000       1.01080000       1.49833000       1.84514698      -0.80408199      -1.27904653
Cr       0.25099000       5.04748000      11.16795000      -0.82736877       0.84606460      -0.11159414
Cr      -1.24421000       2.39906000      11.18398000      -3.27006847       2.05125403       0.49149670
Cr       1.45971000       2.41015000      11.03240000       3.56325167       0.99027568       1.46367658
O        1.13501000       0.98310000      19.70886000       0.78331116      -0.42088536      -1.64163151
O        4.32791000       0.87922000      19.66802000       0.27532568       0.12119748      -1.14865417
O        2.70075000       3.70143000      19.48942000       0.94247397      -1.07318066       1.11946798
O        4.23551000       2.51083000       0.30043000       0.79522706       1.81412614      -0.86551677
O        1.60459000       2.44849000       0.24781000       0.12651558       1.69628819      -0.99214003
O        3.20180000       0.15193000       0.24526000      -1.64142237       0.49840930      -0.35616439
O        1.62838000       4.18617000      10.00237000       0.00633896      -0.22459690      -0.56960802
O       -0.93134000       4.33026000       9.93117000      -1.54732821      -2.09411603      -1.06497733
O        0.04327000       1.96686000       9.89568000       0.40406979      -2.37623957      -1.84928732
O        1.47280000       0.74826000      12.09338000       1.20990363      -0.21053996       1.39569610
O        4.32754000       0.88753000      12.42555000       1.60022056      -0.40468130      -0.17926879
O        2.96109000       3.10498000      12.24060000       0.63886950      -0.05536305       0.51445393
O       -1.62210000       2.84759000      21.84639000      -0.42150032      -1.92707142       0.00240425
O        1.21858000       2.50511000      21.74967000       0.25130420       2.04085109       1.20934053
O       -0.22535000       4.95488000      21.89414000       0.85414699       1.75128258       0.06956988
O        1.51026000       4.52797000       2.57389000       0.65328413      -0.57056325       1.33149185
O       -1.58508000       4.40454000       2.60294000      -0.24724969       0.11484592      -0.81884017
O        0.23422000       1.65453000       2.70618000      -1.18282545       0.13355430      -0.22531643
O        1.47282000       0.77071000       5.07931000       0.63323436      -0.59801321       1.05629791
O        4.59898000       0.84461000       5.20411000       1.17781145      -0.94767660      -0.01841612
O        2.91433000       3.41308000       4.91981000       1.16026087       0.52290411       0.85373261
O        4.01160000       2.59513000      14.79438000       3.15081037      -1.14967686      -0.68055451
O        1.58259000       2.31029000      14.82842000      -0.75040715       1.25959910      -0.81588952
O        2.79509000       0.08177000      14.88607000       1.21131301      -0.14276278      -0.65972049
O        1.15249000       4.20639000      24.13331000      -0.41937348      -0.99696072       1.34934936
O       -1.58192000       4.00364000      24.20564000      -0.76340231       2.47344652       0.32283942
O       -0.17008000       1.74373000      24.17751000       0.99205224       0.69136896      -0.08182416
O        5.69003000       0.05543000      21.73886000      -1.13379300       1.00957451      -1.11480915
O        3.07153000       1.85823000       2.24195000      -2.16090237       0.20853471       2.96675560
O        0.17807000       3.38788000      12.16526000      -0.60845073      -0.78791355       1.22315849
O        3.05362000       4.87469000       7.23067000       0.21989329       0.94642369       0.66167119
O        2.89090000       1.86267000      17.05395000      -0.27903177      -1.84319375      -0.91723817
O       -0.20307000       3.19454000      26.27967000       1.26894408       1.32298417      -0.03146412
O        0.03373000       0.11386000       0.42047000       0.32284120       0.49817049      -0.38889190
O        3.02111000       1.61932000      10.06540000       1.16667974       0.39473334       0.19044808
O       -0.18425000       3.58371000      19.77082000      -1.28559407      -0.66154045      -0.37107416
O       -0.13305000       1.53183000      17.07081000       0.78868649       1.47110452       0.13141830
O        1.43995000       4.43874000      17.08836000       0.32409561      -0.91208863       0.52927775
O       -1.76169000       4.32205000      17.06713000       0.52726272       0.33090364       1.03170481
O        2.94911000       3.29756000      26.39950000      -1.07764849      -0.58096101      -0.86483779
O        1.57980000       0.96306000      26.34722000      -0.66312128       0.05786723       1.09412571
O        4.25943000       0.79697000      26.37753000      -0.55586291       0.17332666      -0.56408399
O        0.17394000       4.94962000       7.35838000      -0.15205182       0.60281578      -0.72153334
O       -1.03792000       2.72487000       7.51557000      -1.52207067      -2.13381489      -0.70097338
O        1.55227000       2.71374000       7.33825000       0.38896593      -2.64185630       0.52920425
Zn       2.91477000       5.04645000      27.14375000       0.10750682       0.79574085      -0.51360885
Zn       3.40933000       1.66997000       8.20355000      -1.19637281      -0.35667719      -0.53542763
Zn      -0.11993000       3.49268000      17.94427000      -0.04570756      -0.33755312      -2.35184580
Zn       2.63393000       5.07780000      23.54457000       1.78940194      -0.09726664       1.19708386
Zn       3.28260000       1.62834000       4.12226000      -1.41748433       0.18674984       0.93106476
Zn       0.15925000       3.40639000      14.27490000      -1.20374832      -0.33398733      -0.95156595
Zn      -2.75493000       4.79731000      13.36232000      -0.40649924       0.60128466      -0.47538151
Zn       2.85290000       1.77589000      22.81338000      -0.62852348      -0.25329991      -0.37684116
Zn      -0.26682000       3.53383000       3.63949000       2.12616504      -0.97722260       0.23294695
Zn      -2.58363000       4.94728000       9.31819000      -1.05896764       0.55590891      -0.07563945
Zn       2.84063000       1.83842000      18.91309000      -0.58557005      -0.18622116       1.26781642
Zn      -0.07422000       3.40773000      28.25259000       0.51666957       0.12776189       0.10005517
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.0959254 magmom=72.0060097 free_energy=-552.09592609 stress="-0.04110930615571744 0.007324880820031 0.0031265712687148957 0.007324880820031 -0.024264009058245276 -0.0071169315492236145 0.0031265712687148957 -0.0071169315492236145 -0.044058702357517264" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36454000       0.94278000      16.07034000       1.19763995      -0.01096084      -2.16392236
Cr       4.33572000       0.85542000      15.95236000       0.46322790       0.79177482      -1.11002077
Cr       2.85551000       3.49443000      15.93004000       2.47674732      -1.34562500      -1.89240469
Cr       4.24748000       2.38292000      25.41079000       1.50800005       2.52659577      -2.63840001
Cr       1.50310000       2.48188000      25.24394000      -2.79585672      -0.41004652       1.85471041
Cr       2.73685000       0.04379000      25.30390000      -0.22682065      -1.41684735       1.60330644
Cr       1.47894000       4.09560000       6.11916000       0.85626109       1.58892384       1.13650403
Cr      -1.38187000       4.22313000       6.20342000      -0.74730491      -0.58654962       0.43410598
Cr       0.19479000       1.71379000       6.30015000      -1.65659485      -2.31302579      -0.42095864
Cr       5.80164000       0.14496000      18.32862000      -1.72874563      -0.41693595      -0.65884023
Cr       2.98367000       1.76311000      27.69981000      -0.04989186      -0.38262779       1.13641043
Cr       0.29218000       3.48072000       8.68177000      -1.96428655      -2.63550629      -3.42924054
Cr       0.01342000       0.05524000       3.86782000       0.66490654       0.07550401      -0.53228323
Cr       2.93940000       1.62160000      13.51876000       0.98965167      -1.30000690       0.79437049
Cr      -0.18539000       3.40292000      23.05125000      -1.18421509      -0.17396184      -0.13734195
Cr      -0.08987000       1.83599000      20.66465000      -1.81845482       1.04653337       0.19019701
Cr       1.28366000       4.40539000      20.66896000      -0.87447294      -0.86119890       0.49848934
Cr      -1.68083000       4.46876000      20.67873000       0.17348912      -0.65811205       1.19848037
Cr       2.89676000       3.53609000       1.40290000       0.23504103      -1.27033901       0.37240332
Cr       1.55115000       0.87416000       1.34259000      -1.08045839       0.20292845       1.41804622
Cr       4.44632000       0.98308000       1.44711000       1.65947726      -0.41700382       0.25985589
Cr       0.17850000       5.03240000      11.07757000       0.43024063      -0.92240284       1.56946213
Cr      -1.35520000       2.36876000      11.24850000       2.47699337       2.50384807      -2.25804042
Cr       1.53305000       2.37642000      11.03111000      -0.19028606       0.66245390       0.81975556
O        1.18472000       0.99157000      19.48027000       0.72162193      -0.18702331       0.34691058
O        4.33016000       0.83519000      19.51778000       1.83774035       0.38942823      -0.01901551
O        2.74260000       3.70507000      19.55207000       0.60448411      -0.20874335      -0.44081709
O        4.25272000       2.66774000       0.21119000       0.37773065      -0.83948808       0.91785180
O        1.58504000       2.51100000       0.26252000       0.31763707       0.26031792      -0.37491497
O        3.15184000       0.13294000       0.24344000      -1.03398398       0.76985239       0.38127209
O        1.57246000       4.04275000       9.89301000       0.92089192       1.01850795       1.65880661
O       -1.05453000       4.11705000       9.81242000      -0.45763759       0.05000453       2.40845814
O        0.05536000       1.71939000       9.76481000       0.57244459       1.11450052       1.61013663
O        1.62441000       0.85243000      12.35425000      -0.11018267      -1.60206529      -0.99380086
O        4.51537000       0.87865000      12.32147000      -0.92369240      -1.99053598       1.16607350
O        2.99764000       2.92444000      12.20791000       0.19522642       3.39664621       0.56025396
O       -1.47555000       2.77570000      21.71813000      -1.00460611      -0.57205273       0.62079864
O        1.21401000       2.73461000      21.82342000       0.51758241      -0.21713328       0.10752085
O       -0.12491000       5.10218000      21.88447000      -0.63620136      -0.67517530      -0.26567615
O        1.66768000       4.36270000       2.56697000      -1.71462080       1.56529054       0.67438790
O       -1.68557000       4.44017000       2.54348000       1.55893739      -0.67571010       0.40386772
O        0.12027000       1.73240000       2.58833000      -1.28191119      -0.75419407      -0.05030673
O        1.40345000       0.73774000       5.11938000       0.87477085       0.49554325      -1.02400306
O        4.62079000       0.71779000       5.13596000      -0.49953000       0.83699464      -0.29271748
O        3.02821000       3.53115000       5.14782000       0.20082511      -1.12546809      -2.22309358
O        4.27879000       2.55608000      14.69345000      -0.64157069      -0.59253513       1.31527843
O        1.63208000       2.47092000      14.70690000       0.45924121      -0.43127020       1.48389497
O        2.82975000       0.12269000      14.94659000       0.04764820       0.19515838      -0.37278134
O        1.04447000       4.11658000      24.36212000       1.93279433       0.51211167      -2.27045448
O       -1.71012000       4.15124000      24.19589000       2.01159383      -0.47689256       0.52916722
O       -0.23289000       1.70479000      24.28099000       1.14290774       0.27812754      -1.25931830
O        5.60401000       0.13730000      21.60981000       1.71996282       0.48237270       1.42195522
O        2.86541000       1.82763000       2.36402000       1.14036673      -0.37070496      -0.94501969
O        0.24429000       3.40449000      12.25068000      -1.04686642      -0.58613408      -0.99591748
O        3.00868000       4.92733000       7.26696000       0.00669546       1.00085893       0.21698274
O        2.94878000       1.75352000      16.97863000      -0.65773308       0.45304817       0.24109665
O       -0.18807000       3.32031000      26.20663000       0.89539682       0.51782815       1.52086092
O        0.09681000       0.02164000       0.41834000      -1.16126944       1.47542093      -0.02665433
O        3.15621000       1.65154000      10.12187000      -0.80471284      -0.84304559      -0.76770687
O       -0.26095000       3.65995000      19.72531000       0.95775526      -1.23102340      -0.48329439
O       -0.11743000       1.72087000      17.04302000      -0.25758214      -0.25532401       0.58522160
O        1.54567000       4.26748000      16.93833000      -1.57620024       1.45727818       2.26023275
O       -1.74180000       4.47314000      17.17916000       0.44687478      -0.74047004      -0.52432269
O        2.88371000       3.27516000      26.42970000      -0.79847199      -0.22999432      -0.22265473
O        1.66589000       0.91525000      26.66550000      -1.65152255       0.02373545      -2.39932834
O        4.28980000       0.91332000      26.51502000      -0.36378931      -1.74058356      -0.24036560
O        0.04318000       4.96606000       7.23563000       1.27180315      -0.16566399       1.48715600
O       -1.14816000       2.58472000       7.37334000      -0.27158590       0.67901798       0.55693515
O        1.47454000       2.56649000       7.39100000       1.21044965       0.28295843       0.30703611
Zn       2.98129000       5.03857000      27.19888000      -0.35240831       0.52061818      -1.35325695
Zn       3.28911000       1.56107000       8.22211000      -0.20716731       0.51581510      -1.67084170
Zn      -0.11868000       3.54181000      17.89762000       0.25263853      -0.11505391      -1.99332202
Zn       2.61842000       4.93328000      23.55050000      -0.03626029       1.02982161       0.10241239
Zn       3.26312000       1.64976000       4.08599000      -0.54704897       0.10567997       3.87369041
Zn       0.07605000       3.37897000      14.34955000      -0.93467105       0.64757529      -1.51003083
Zn      -2.74432000       4.85185000      13.39575000      -0.46680673       0.61056633      -0.60589435
Zn       2.90653000       1.68631000      22.76447000      -0.21681187       0.99219560       0.51621991
Zn      -0.27190000       3.56524000       3.68689000       1.30483173      -0.65514056      -0.21744315
Zn      -2.58888000       4.99652000       9.31454000      -1.52915240       0.17770603      -1.20206032
Zn       2.94036000       1.84942000      18.93925000      -1.45204249       0.86828365      -0.27080975
Zn      -0.00404000       3.39815000      28.23467000       0.32089963       0.28074969      -0.30330089
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.64708864 magmom=72.0009946 free_energy=-551.64708864 stress="-0.04339219197024998 -0.007103418045332146 -0.0050594750883035736 -0.007103418045332146 -0.034068753476595486 -0.005434413370513714 -0.0050594750883035736 -0.005434413370513714 -0.046088627914898116" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33318000       1.02835000      16.09715000       2.06715493      -0.42179035      -2.85144858
Cr       4.38585000       0.87802000      15.94582000      -0.12517102      -1.19603537       0.20516392
Cr       3.00740000       3.54557000      15.84548000       0.24774106      -0.80727120       1.12481449
Cr       4.29759000       2.47135000      25.49837000       0.53320126      -0.11848441      -2.10296377
Cr       1.40619000       2.45127000      25.38293000      -1.59662471      -0.11183836      -2.00758030
Cr      -0.22340000       5.02248000      25.49794000       2.37197603       2.55592778      -2.27688379
Cr       1.51113000       4.18127000       6.18899000       1.37212700      -0.56469484      -0.21420800
Cr      -1.47625000       4.32852000       6.17440000       1.50638135      -1.89098880       0.84250560
Cr       0.15444000       1.71639000       6.21173000      -1.11083975      -0.20993519      -0.25758210
Cr       5.72280000       0.18219000      18.17981000       2.28546307      -1.70955488       1.78004978
Cr       2.92933000       1.71985000      27.85815000       0.37908830       0.24052494      -4.51547969
Cr       0.19160000       3.34429000       8.64881000      -0.74261552      -1.72291348       0.58595500
Cr       5.81844000       0.10621000       3.73822000       2.89162703      -1.19950468       0.87272540
Cr       2.99263000       1.62789000      13.55252000       1.63347870      -0.29002678      -0.42454511
Cr      -0.21328000       3.35151000      23.03115000       0.13480894       1.14743989       0.14181874
Cr      -0.03375000       1.86710000      20.57970000       0.37054697      -0.25023535       0.51766178
Cr       1.25714000       4.45989000      20.71045000       2.71503073      -0.09708548      -1.31226078
Cr      -1.61652000       4.43524000      20.58741000      -0.03272843      -0.07521365       1.14571894
Cr       2.95302000       3.37677000       1.36534000      -0.43624286       3.97923361       3.09264040
Cr       1.48529000       0.83784000       1.39930000      -1.92454521       1.16326582       1.60820921
Cr       4.46371000       0.92312000       1.36791000      -2.71541455      -0.32177351       1.26177840
Cr       0.13213000       4.95977000      11.09148000       1.19821684      -0.55397154       1.86003832
Cr      -1.36026000       2.45390000      11.21784000       0.95497229      -2.49063248       0.21158209
Cr       1.63309000       2.39550000      11.10448000      -0.46442845       0.34784265       0.95351585
O        1.35314000       0.94417000      19.29313000      -1.22215653      -0.33133113       1.56917701
O        4.59049000       0.87366000      19.43034000      -2.40836332       1.28504792       1.14657012
O        2.88072000       3.67114000      19.57779000      -1.26085989       0.93738667      -0.98759871
O        4.34012000       2.69054000       0.27938000      -0.21821846      -1.65372206      -0.58794318
O        1.62234000       2.65307000       0.23614000      -0.40409953      -1.37534994       0.90825781
O        2.89867000       0.21264000       0.34311000       0.92992992      -1.69839828      -0.53728027
O        1.54309000       4.01665000       9.99169000      -0.05025320       0.49982885      -1.19009750
O       -1.18464000       3.88137000      10.04000000      -0.52228395       2.82713533      -2.39695369
O        0.18931000       1.72504000       9.91204000      -0.06492567       0.44235959       0.11026466
O        1.81709000       0.70497000      12.40197000      -1.45167235       0.44258448      -1.19525240
O        4.48928000       0.64009000      12.32570000      -0.71564429       1.46796462       0.34389781
O        3.09674000       3.21431000      12.29466000      -0.29904914      -0.82874596       0.32435930
O       -1.46470000       2.61085000      21.70426000      -0.72608450       0.91054078       0.27307853
O        1.24632000       2.96189000      21.89248000       0.73561143      -2.34556396      -0.88468440
O       -0.14062000       5.08852000      21.80568000      -1.15306727       0.08599314       0.58075775
O        1.59765000       4.45191000       2.63276000      -1.48188741      -1.25107425      -1.37898936
O       -1.60815000       4.38718000       2.52860000      -0.09117845      -0.36661238       0.38895333
O       -0.20472000       1.62599000       2.49879000       2.45738556       1.48469281       1.74230935
O        1.43847000       0.77517000       5.02923000       0.14934032       0.70129273      -0.65351272
O        4.61824000       0.68671000       5.07172000      -0.60897967       0.97863737       0.68582433
O        3.12724000       3.52071000       5.01967000      -1.45601742       0.33793120      -0.48241614
O        4.40414000       2.33605000      14.82123000      -0.79541516       2.20434041      -0.98956841
O        1.78735000       2.52404000      14.82826000      -2.61780171       0.56473101      -1.16571489
O        2.90499000       0.22210000      14.91227000      -0.66930511      -1.85111939      -0.41348463
O        1.15817000       4.05595000      24.27910000      -1.02411929       0.35674375       0.63831534
O       -1.46743000       4.23844000      24.29780000      -1.74020155      -1.14069049      -0.04880987
O       -0.10447000       1.80480000      24.20496000      -0.67921714      -0.89073069       0.89987190
O       -0.12110000       0.26281000      21.60655000       0.17199027      -1.59136154       1.17089150
O        2.82609000       1.74262000       2.36737000       1.50478132       0.07902495       0.68912519
O        0.10627000       3.28447000      12.12359000       0.80442860      -0.27822981       1.50280090
O        0.04088000       0.05539000       7.26257000      -0.00405628      -0.84770939      -0.01696027
O        2.91487000       1.73111000      16.83491000       0.69940075       1.47387864       2.66027355
O       -0.02998000       3.46833000      26.39130000      -0.87319355      -2.89432372       0.02532891
O       -0.02757000       0.13984000       0.47544000       0.77581616      -1.88963622      -1.88867085
O        3.16112000       1.54650000      10.11003000      -0.72297225       0.08752850      -0.54773592
O       -0.18700000       3.52609000      19.65851000       0.91591134       0.89389888      -0.69108484
O       -0.13255000       1.84255000      17.04756000      -0.22499066      -1.85685247      -0.17043175
O        1.50784000       4.31353000      17.06060000       1.11475350       0.68339464      -0.98530967
O       -1.67161000       4.50347000      17.14731000      -0.76869034      -0.28700599      -1.27426095
O        2.71695000       3.21654000      26.42277000       2.48102471       0.63449687       1.78198085
O        1.50875000       0.91485000      26.58985000       0.87061055       0.51684580       0.31679447
O        4.22560000       0.76996000      26.54418000      -0.31443561       1.08529670       0.30192917
O        0.09801000       4.85529000       7.31057000      -0.30896219      -0.04265756       0.58368292
O       -1.27605000       2.54308000       7.27216000       0.44821878       0.98397037       0.68037210
O        1.50619000       2.44587000       7.42019000      -0.19892109       1.40201565      -0.57655067
Zn      -2.87975000       5.05515000      27.18092000      -1.91972519      -0.76666110      -0.39763324
Zn       3.15155000       1.47662000       8.16403000       0.17631555       1.10541261      -0.39410913
Zn      -0.10730000       3.58984000      17.74579000      -0.05122220       0.38235814       0.28434083
Zn       2.62752000       4.83528000      23.57308000       1.99238969       1.78134789      -0.69852722
Zn       3.20244000       1.68239000       4.22934000      -1.07847268       0.26113044       1.16010431
Zn      -0.04626000       3.39720000      14.34342000       1.51586416       0.80181107      -1.33238533
Zn      -2.76087000       4.93958000      13.40948000      -0.53988171       0.51626750      -0.59044052
Zn       2.94724000       1.64530000      22.74980000      -0.34827451       0.95880545       0.53762658
Zn      -0.19943000       3.55927000       3.73358000       0.77837708      -0.24125741      -0.43581192
Zn      -2.67771000       5.04593000       9.25666000      -0.47083488      -0.85375858       0.50113681
Zn       2.97573000       1.89496000      18.96832000       0.08086599      -0.30312060      -0.81685139
Zn       0.07927000       3.40945000      28.19981000      -0.63078555       1.00893382       1.67981869
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.54100192 magmom=71.9977593 free_energy=-552.54100192 stress="-0.0317736835372002 -0.00211826878880893 -0.010343285037903856 -0.00211826878880893 -0.03912167684652811 0.004789727349889939 -0.010343285037903856 0.004789727349889939 -0.03525942950146936" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39060000       1.06630000      16.01943000       2.17445735       0.72743150      -2.54837142
Cr       4.45408000       0.83862000      16.00515000      -3.31990829       1.61078275      -3.64063634
Cr       3.12949000       3.54513000      15.82627000      -4.31768151      -1.60299480      -0.85229577
Cr       4.34871000       2.53479000      25.49581000      -2.02369746      -2.53304076      -1.31236417
Cr       1.26254000       2.42910000      25.42355000       3.62105854       0.84362675      -2.15796084
Cr      -0.11870000       5.01810000      25.58591000      -0.02792242       0.19166108      -2.92454002
Cr       1.60009000       4.24258000       6.24942000      -0.99994906      -0.60164122      -0.90564116
Cr      -1.47099000       4.31614000       6.18543000       1.49901550      -0.56353200      -0.94958749
Cr       0.05424000       1.71478000       6.12319000       0.45663619       1.71149813      -0.37789893
Cr       5.77874000       0.17344000      18.07247000       1.42223501      -0.90435055       6.42416970
Cr       2.92503000       1.70015000      27.87165000      -0.91283498      -0.54178875      -2.47320187
Cr       0.05866000       3.12771000       8.63048000       0.82124145       2.58276248       1.68217264
Cr      -0.04233000       0.07723000       3.66103000      -0.71384634      -0.94998993       1.71750022
Cr       3.10923000       1.60442000      13.56099000      -2.57306880       0.33987114      -0.82038545
Cr      -0.22630000       3.35678000      23.01788000       1.00447159       0.43058035      -0.42073569
Cr       0.02140000       1.87539000      20.53207000       0.22029954      -0.38823540       2.04889030
Cr       1.36653000       4.49192000      20.69359000       0.75502736      -0.41798679       0.02361905
Cr      -1.57672000       4.39230000      20.55351000      -0.14373964      -1.24068921       0.53272479
Cr       2.98661000       3.37863000       1.42989000      -0.52385130       1.56005816       0.99601643
Cr       1.36917000       0.88165000       1.49283000       0.46923110       0.20261979      -0.03155085
Cr       4.34809000       0.86591000       1.32315000       1.06490028      -1.76826316       2.40051795
Cr       0.15397000       4.86180000      11.20180000      -0.75072141       0.84250850      -1.58318426
Cr      -1.30940000       2.43150000      11.17556000      -1.35567024      -0.78787964      -0.35205675
Cr       1.70253000       2.44558000      11.21818000      -0.06490345      -0.06579580      -0.59277040
O        1.29779000       0.84056000      19.41559000       0.44091987       1.19286157      -0.89170481
O        4.52982000       1.04446000      19.49294000       0.39962186      -1.51016774      -0.54959397
O        2.80464000       3.83504000      19.43544000      -0.02342139      -0.77355429      -0.26351995
O        4.36827000       2.45741000       0.30564000      -0.42304764       1.07728869      -0.60031645
O        1.58979000       2.53454000       0.39489000      -0.11550361      -0.66480907      -0.15865397
O        2.77010000       0.02914000       0.37970000       0.40230854       1.85082322      -0.36713018
O        1.47807000       4.04815000       9.95466000       0.21918823      -0.19775096      -0.34180209
O       -1.34041000       4.05579000       9.97632000       1.61655903      -1.13200877      -0.18201792
O        0.26819000       1.85425000      10.08523000      -1.58723057      -2.38408972      -1.36472887
O        1.78132000       0.68637000      12.24898000      -0.80114754       1.23318238       1.54543533
O        4.31291000       0.69419000      12.38725000       2.09763456       0.71183723       0.05103350
O        3.15429000       3.28157000      12.39332000      -0.02335422      -1.49470944      -0.36017486
O       -1.50209000       2.64613000      21.72151000       0.18054699       0.06115192      -0.55621062
O        1.30838000       2.81515000      21.77627000      -0.26899383      -0.23232605      -0.04311693
O       -0.27200000       4.99275000      21.78520000       1.98307388       0.66524651       0.87607226
O        1.39876000       4.41134000       2.51847000       1.43047671      -0.84538233       0.79174673
O       -1.60485000       4.33451000       2.55946000      -0.29879736       0.23053625       0.29120109
O       -0.16804000       1.64405000       2.63527000       0.75199614       0.59593626      -1.12510810
O        1.42174000       0.88115000       4.89124000      -0.81740851      -0.94553787       1.19058530
O        4.58297000       0.77404000       5.12951000       0.02662388      -0.20919537      -0.37895982
O        2.97089000       3.62651000       4.85459000       0.34883773      -0.04964328       1.93972821
O        4.28283000       2.42526000      14.83144000       1.51586741       0.19892362      -0.22651006
O        1.59239000       2.62833000      14.80821000       1.00135727      -0.68551399      -0.01235424
O        2.90326000       0.12486000      14.83184000       0.02311040       1.14434946       1.23394738
O        1.10747000       4.06610000      24.26349000       0.79574593       0.68357117       0.68089310
O       -1.43494000       4.10174000      24.41632000      -1.37049798       0.91404125      -0.87701343
O       -0.11032000       1.80845000      24.26472000      -0.92603274      -1.29269027      -0.33064783
O        0.08006000       0.13432000      21.73788000      -1.60313758       0.37864950      -1.19833939
O        3.00637000       1.68928000       2.38220000      -1.41805651       0.32938871       1.47009942
O        0.11283000       3.15216000      12.21118000       0.52411225       0.83868348       1.17118179
O        0.04874000       0.12589000       7.21594000       0.38443015      -0.91531155       0.96995433
O        2.95902000       1.92706000      17.04250000      -0.03655014      -0.85616349      -1.46880254
O       -0.07121000       3.20380000      26.42939000      -0.45445902       1.47194332       1.39363694
O        2.88238000       5.10043000       0.36389000       0.43524924       0.06399589       1.50086964
O        3.02602000       1.44729000      10.06226000       1.00332041       0.82014603       0.38831614
O        0.05108000       3.54144000      19.53267000      -0.93323976       0.63597437      -0.08291459
O       -0.15745000       1.72780000      16.99801000       1.39574920       1.41945796       0.15766466
O        1.58200000       4.40093000      16.99694000      -0.12317749      -1.47750614      -0.37169588
O       -1.65829000       4.47356000      16.90819000       1.17845328       0.98124913       1.92205783
O        2.89809000       3.20368000      26.62080000      -0.63151594      -0.20580083      -0.81069343
O        1.51091000       0.96100000      26.51987000       0.15537362      -1.22543429       1.56876063
O        4.13387000       0.80464000      26.58541000       1.65747834       0.65658025       0.45850235
O        0.12997000       4.70612000       7.45712000      -0.80113168       1.58433789      -0.86752436
O       -1.28667000       2.67072000       7.27764000      -0.98237357      -1.32566718       0.10080167
O        1.45627000       2.58721000       7.31264000       0.43363690      -1.04477700       0.01432177
Zn       2.97253000       5.04283000      27.12896000      -0.77059180       0.26774830      -0.78879674
Zn       3.03079000       1.45283000       8.08273000       0.01336512       0.79916071       0.18675254
Zn      -0.09274000       3.64650000      17.60787000       0.44997455      -0.54607074       0.61298979
Zn       2.72112000       4.82985000      23.56803000       0.69780824       0.69863655       0.69386058
Zn       3.09727000       1.72443000       4.43453000      -0.42021138       0.35664489      -0.96928082
Zn      -0.08302000       3.44987000      14.26564000       0.69816425      -0.59639110      -1.27782696
Zn      -2.80266000       5.04839000      13.40220000      -0.05175612       0.19629743      -0.60059253
Zn       2.96346000       1.65902000      22.77461000      -0.70833171       0.23322337       0.21761356
Zn      -0.08954000       3.53766000       3.76283000       0.37823496      -0.18214834      -0.81242319
Zn      -2.78667000       5.04708000       9.21945000      -0.69474897       0.08200230       0.89391525
Zn       2.99382000       1.92962000      18.96063000      -1.47945565       0.46502499       0.44843848
Zn       0.12774000       3.46832000      28.26017000      -0.65582525      -0.72345740       1.22564455
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.67137992 magmom=71.999023 free_energy=-552.67137992 stress="-0.03499701732135024 0.009513157115218343 0.008604625345934895 0.009513157115218343 -0.04193318551013025 0.0037692998147635932 0.008604625345934895 0.0037692998147635932 -0.0342810618922745" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51165000       1.10055000      15.87448000      -1.11958753      -0.98579333       0.90804524
Cr       4.43864000       0.84686000      16.01764000      -0.15864639       2.44284115      -2.32651932
Cr       3.02478000       3.50012000      15.81616000       0.23991328       0.84348676      -1.09688749
Cr       4.26958000       2.44843000      25.44208000       0.29329367      -0.06846359      -0.63152858
Cr       1.30996000       2.43833000      25.35926000       0.82741793      -0.74884009       1.22169374
Cr      -0.01567000       5.06889000      25.53771000      -2.07139333      -0.64157643      -0.11800994
Cr       1.61340000       4.26576000       6.27160000      -1.99577509       0.72783946       0.75787081
Cr      -1.37795000       4.25407000       6.15905000      -1.04348610       0.53155497       0.12648143
Cr      -0.01388000       1.80722000       6.04033000       0.57707129      -0.48095314       1.55602805
Cr      -0.01039000       0.17396000      18.13069000       0.05971686       0.91509218       0.72304694
Cr       2.91840000       1.64686000      27.84480000      -1.00570533       1.33001349      -0.67474838
Cr      -0.01437000       3.07368000       8.69609000       1.42738144       2.31628632      -1.43384887
Cr       5.86064000       0.01155000       3.69429000      -1.72014798       1.60912224       2.45488401
Cr       3.08700000       1.60076000      13.53879000      -1.01656017       0.68603482       1.13574631
Cr      -0.17643000       3.38951000      22.98622000       0.47921776      -0.60565604       1.07566316
Cr       0.06943000       1.85190000      20.56852000      -1.83675035      -0.18218458      -0.52531246
Cr       1.50450000       4.48294000      20.65880000      -3.01059139      -1.48465177      -0.50159174
Cr      -1.53520000       4.31473000      20.55351000       0.90423068       0.95277910      -0.24016563
Cr       2.98405000       3.41750000       1.50649000      -0.43422203      -2.59392274       0.19563765
Cr       1.31051000       0.92772000       1.56109000       1.94577723      -1.92750865       0.13134249
Cr       4.21313000       0.75905000       1.35365000       3.55796500       0.59515316       3.18979933
Cr       0.14378000       4.84059000      11.23432000      -0.60564547       2.08951424      -1.50777401
Cr      -1.32746000       2.34906000      11.13441000       0.16749774       0.72504982       0.19017633
Cr       1.73798000       2.48097000      11.27654000      -1.95403069      -0.69003340      -2.50289951
O        1.29641000       0.88535000      19.46238000       1.10077335       0.08980279      -0.70941168
O        4.53999000       0.94675000      19.48986000      -0.11104916       0.61681632      -0.68897681
O        2.74045000       3.85480000      19.31741000       1.85756028      -1.84346951       1.18002234
O        4.35371000       2.41536000       0.28571000      -0.64672127       0.34316147       0.87053660
O        1.52959000       2.38706000       0.48552000       0.95791486       2.27068655      -2.02308540
O        2.75083000       0.13467000       0.37040000      -0.04356302      -0.93614663      -0.16481415
O        1.39958000       4.01321000       9.89438000       0.45010697      -0.47865614       0.85118288
O       -1.17966000       4.06222000       9.85638000      -0.90732667      -0.60880691       1.70685596
O        0.08294000       1.63483000      10.02446000       0.68954051       0.71436604       0.08909733
O        1.67547000       0.88581000      12.33454000       0.58023263      -1.85934638       0.51576158
O        4.43523000       0.86927000      12.39165000       0.38841768      -1.96806711      -0.40163261
O        3.19276000       3.03207000      12.35089000       0.02552265       2.67726944      -0.56895792
O       -1.44745000       2.72494000      21.66047000      -0.23259827      -1.00530091       0.42716066
O        1.30012000       2.65996000      21.68159000       1.31764735       1.28529281       1.93069259
O       -0.08911000       4.96063000      21.87749000       0.17630429       0.91884561      -0.45867006
O        1.51621000       4.27253000       2.53473000      -0.40820707       0.34563544       0.70302222
O       -1.69945000       4.35879000       2.62741000       2.18986377      -0.63443994       0.06396271
O        0.02827000       1.68021000       2.62716000      -2.19186259       0.10432546       0.80247371
O        1.25547000       0.80282000       4.99418000       1.72760437       0.03830099      -0.09284288
O        4.57263000       0.79794000       5.12803000      -1.19042779      -0.12414916      -0.78749893
O        2.90944000       3.73163000       5.05845000       1.50239882      -2.47289036      -0.71572696
O        4.31043000       2.57376000      14.73836000       0.24591267      -1.34843748       0.63513175
O        1.60362000       2.57904000      14.75621000       0.90341199       0.84348689      -1.14561295
O        2.92591000       0.24463000      14.93236000       0.82147240      -1.50011993      -0.94887587
O        1.12178000       4.13274000      24.37453000       1.35980853      -0.62485663      -1.63484674
O       -1.59598000       4.06758000      24.37203000       2.15007529       0.16334717      -0.25888945
O       -0.23006000       1.66015000      24.30528000       0.86499025       0.68559862      -0.94900835
O       -0.00182000       0.04442000      21.62015000       0.76590979       1.02559864       1.21145976
O        2.97325000       1.69865000       2.58460000      -0.53752180      -0.13205220      -0.51434582
O        0.23305000       3.20206000      12.34932000      -0.62402646       0.50613897      -2.38784804
O        0.12405000       0.01578000       7.24657000      -0.10677079       0.37308820       0.19746822
O        3.00592000       1.94550000      16.95562000       0.09840730      -1.29182561       0.40365577
O       -0.15405000       3.16698000      26.47876000       1.04459483       1.48439997      -0.35501451
O        2.94028000       4.97544000       0.48525000      -1.06163491       1.87004265      -1.55364469
O        3.05954000       1.50764000      10.13664000       0.34387464       0.00144207      -0.41161944
O        0.09377000       3.66312000      19.51211000      -1.23966975      -0.90291842       0.33435423
O        0.01444000       1.82796000      16.92860000      -0.32740075      -1.54575002       0.37500230
O        1.65429000       4.25739000      16.84973000      -0.10158229       1.72201410       1.66186515
O       -1.54983000       4.56587000      16.91397000      -1.53897758      -0.04368220       0.36176865
O        2.96002000       3.15560000      26.62789000      -1.85460812       0.48928565      -1.08323504
O        1.58403000       0.86267000      26.63580000      -0.33535061       0.26417678      -1.21765607
O        4.27968000       0.91986000      26.62823000      -0.78896278      -1.20897212      -0.69616742
O        0.02538000       4.77554000       7.41159000       0.47303438      -0.01869184       0.01598988
O       -1.38123000       2.60712000       7.29474000       0.05415878      -0.59951429       0.18747352
O        1.40425000       2.58305000       7.20488000       0.14429160      -0.80827060       1.12720233
Zn       2.88244000       5.03675000      27.05421000       0.75845914      -0.19123982       1.11475672
Zn       2.92212000       1.47781000       8.01753000       0.09201276       0.84600572       0.40318197
Zn      -0.05297000       3.66807000      17.51410000       0.65783605      -0.70753280       1.12349372
Zn       2.85191000       4.87436000      23.58405000      -1.08490165       1.08334866      -0.27889047
Zn       2.97034000       1.77852000       4.58255000      -0.30391805      -0.07207490      -0.62322320
Zn      -0.07259000       3.48525000      14.14575000       0.80522446       0.50504294       1.04963835
Zn       0.10528000       0.04852000      13.37876000       0.12373894      -0.05583650       0.14975242
Zn       2.94268000       1.68795000      22.81373000      -0.43421226       0.05287963      -0.08485590
Zn       0.03186000       3.50604000       3.76096000      -0.13670519      -0.40603024      -0.69594757
Zn       2.98451000       5.04304000       9.22965000       0.30947271      -1.28814756      -0.07948002
Zn       2.94563000       1.97527000      18.96479000      -0.27461775      -0.79844656      -0.27358455
Zn       0.13497000       3.48482000      28.40126000      -1.00489850      -1.19991077       0.20427065
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.47732888 magmom=72.0054848 free_energy=-553.47732888 stress="-0.04462131178415458 0.005460740112180272 0.007202115122762377 0.005460740112180272 -0.036467110349435956 -0.013186708890715578 0.007202115122762377 -0.013186708890715578 -0.027122319066359955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54709000       1.05759000      15.79769000      -0.62671681      -1.66790141      -0.15106365
Cr       4.47670000       0.96945000      15.96736000       1.57888829      -0.74237809      -1.45714219
Cr       2.91258000       3.52276000      15.77440000       2.91323888       1.09680750       0.51046076
Cr       4.17923000       2.33839000      25.36186000       2.94172763       3.25150985      -1.59839216
Cr       1.42307000       2.41110000      25.35102000      -3.41535016       0.07859720      -1.20074043
Cr      -0.01267000       5.08180000      25.47704000      -0.70876764      -2.68999439      -2.03788000
Cr       1.52143000       4.30550000       6.32789000       1.28496923      -0.89867705      -0.78205812
Cr      -1.33824000       4.20734000       6.15359000      -1.84068428      -0.16754500       1.06005804
Cr      -0.04574000       1.87249000       6.04598000       0.19177586      -3.03652454       0.70526230
Cr       0.07636000       0.23393000      18.18901000      -0.61532218      -0.82229703       0.94894187
Cr       2.90574000       1.64489000      27.81850000      -0.19353064       0.64608968      -1.45089295
Cr       0.00054000       3.16826000       8.69897000       0.18061011      -0.11516984      -0.41033144
Cr       5.79333000       0.01910000       3.86855000       2.09243680      -0.56480150       0.24984188
Cr       3.01846000       1.65670000      13.55106000       3.52901778      -0.14168137      -2.28560205
Cr      -0.08153000       3.39972000      23.00154000       1.23724525      -0.50174130      -0.12782164
Cr       0.04114000       1.81451000      20.58180000      -0.06410860       0.07272493       0.45969408
Cr       1.49156000       4.38871000      20.59201000      -0.02587819      -0.15838324       0.81317366
Cr      -1.45586000       4.29306000      20.55370000      -0.44536201       2.30526397       2.24600495
Cr       2.96115000       3.32640000       1.55843000       0.40073607       1.72340668       0.75930934
Cr       1.35653000       0.89362000       1.60852000      -0.63343960      -0.44100523      -0.37412879
Cr       4.23213000       0.70547000       1.49677000       1.76734398       1.75707849       1.76087840
Cr       0.09634000       4.95293000      11.16132000       0.43351291       0.93975734      -0.38281307
Cr       4.57012000       2.30329000      11.11823000       0.89212753       1.60275072       1.23043688
Cr       1.67142000       2.45836000      11.20010000      -0.33177959      -1.50238141      -0.56120544
O        1.43272000       0.95068000      19.40318000      -1.26810401      -0.96305367       0.80653459
O        4.57593000       0.87732000      19.38871000      -0.25735759       0.66845075       0.30415824
O        3.01204000       3.69998000      19.44647000      -0.57038000       1.58678423      -0.53804248
O        4.24065000       2.47209000       0.43923000       0.70608541      -0.99480607      -0.73033602
O        1.65100000       2.52863000       0.32821000      -0.60752749      -0.63343718       1.10971276
O        2.72643000       0.13885000       0.41153000       0.72070218      -0.24210700       0.03925177
O        1.37874000       3.88732000       9.98393000       0.68226097       1.48217557      -1.63458280
O       -1.12821000       3.90991000      10.05260000      -2.09320561       1.61749554      -1.37765351
O       -0.00891000       1.60166000       9.94647000       1.84854028       0.40732411      -0.64461403
O        1.72211000       0.83192000      12.46909000      -0.17054632      -0.60404556      -1.66532140
O        4.57102000       0.74805000      12.27276000      -2.02925591      -0.19997308       0.29585932
O        3.17445000       3.12213000      12.20089000      -0.48755124       0.50304335       1.14189629
O       -1.36319000       2.67954000      21.66372000      -0.52801693      -0.08196437       0.64102485
O        1.39114000       2.72524000      21.85051000       0.01579422      -0.40846304      -0.95822365
O        0.15922000       5.02228000      21.88422000      -1.51521624       0.39844611      -0.41405644
O        1.64329000       4.23684000       2.68999000      -1.64883985       0.04053528      -0.27868657
O       -1.56631000       4.33070000       2.72191000      -0.53078562       0.04646458      -0.03779598
O       -0.09142000       1.61162000       2.69326000      -0.54696650      -0.24889368       0.14126572
O        1.30370000       0.71152000       5.12522000       0.10426478       0.95398615      -0.75508712
O        4.43606000       0.76728000       5.03019000       0.49562941      -0.01479219       1.21939060
O        3.05452000       3.51451000       5.23001000      -1.28902378       2.03386188      -0.82141015
O        4.37316000       2.46199000      14.75659000       0.50680936       1.56134493      -0.33542645
O        1.81281000       2.59994000      14.55993000      -3.16362495       0.68011856       0.94263418
O        3.07979000       0.18938000      14.87414000      -0.67037731      -0.85424325      -0.63622666
O        1.31891000       4.08597000      24.26738000      -0.25132975       0.03807428       0.36220306
O       -1.35348000       4.05859000      24.27189000      -1.29380662       0.68514078       0.58790793
O       -0.19924000       1.70440000      24.21353000       0.51471102       0.52091150       0.39229913
O        0.00111000       0.13094000      21.58432000       0.62099969      -0.53925250       0.47896635
O        2.80570000       1.68672000       2.64160000       0.72970195      -0.25925132      -0.22513045
O        0.21629000       3.34422000      12.07054000      -1.00939230      -1.48546650       2.70856776
O       -2.79365000       5.03640000       7.26085000      -0.83243404       0.45607844       0.34663808
O        3.03489000       1.77472000      16.81555000      -1.07180326       1.51366751       1.96573855
O       -0.05299000       3.43068000      26.46905000      -0.14883732      -1.32942591       0.12786641
O        5.77338000       0.02950000       0.51000000       0.31131495      -0.71266544      -0.68608738
O        3.13284000       1.57540000      10.14869000      -1.66165949      -0.96875006      -1.94854967
O       -0.06763000       3.58437000      19.58315000       2.02452220      -1.16743469      -1.80344969
O        0.14281000       1.74846000      16.89136000      -1.01939331       0.82200481       0.72298229
O        1.70019000       4.39554000      16.97350000      -0.30917442       0.59383322       0.35928677
O       -1.63636000       4.62607000      16.97522000       1.19786740      -1.76034284      -1.16465010
O        2.70102000       3.15079000      26.39732000       2.63494857       0.60547686       1.96117258
O        1.59192000       0.82363000      26.54025000      -0.79361505       0.18519019       0.31413372
O        4.26544000       0.86588000      26.52188000      -0.79518937       0.03249198       1.02222517
O       -0.00002000       4.83611000       7.32975000       0.53589250       0.18224610       1.69716727
O       -1.39474000       2.45985000       7.30464000       0.44218913       1.11892048       0.41987498
O        1.32169000       2.48515000       7.26439000      -0.08357500       1.45060901       0.42719568
Zn       2.83264000       5.01872000      27.02310000       1.27866053      -0.40474205       1.06312286
Zn       2.81847000       1.55000000       7.98005000       0.93601367       0.26389785       0.99001441
Zn       0.01554000       3.65173000      17.47967000      -0.64965994      -0.20297428       0.95990377
Zn       2.93993000       4.97266000      23.59412000      -0.10591929       0.14620504      -0.52969898
Zn       2.82056000       1.82358000       4.69447000      -0.08674382      -1.87973667      -1.56044270
Zn      -0.02032000       3.53825000      14.05329000       0.24505174      -0.49480005      -0.36624633
Zn       0.07227000       0.15351000      13.37329000       0.53404025      -0.85815274       0.65771265
Zn       2.89712000       1.72289000      22.85880000       0.11501472      -0.16973455      -0.50646951
Zn       0.14838000       3.45140000       3.73511000      -1.06312964      -0.26094798      -0.24130526
Zn       2.85711000       4.97114000       9.23829000       0.69642771      -0.90389073       0.05022634
Zn       2.88152000       1.96825000      18.95764000       1.51467848      -1.42626209      -1.10794134
Zn       0.07868000       3.43362000      28.54333000      -1.40236971      -0.54867460      -1.21348966
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.18958637 magmom=72.0030765 free_energy=-553.18958637 stress="-0.032982367308302195 -0.012355532619191244 -0.005756969300547168 -0.012355532619191244 -0.03260142551819216 -0.000985215455966289 -0.005756969300547168 -0.000985215455966289 -0.027399238685732796" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51737000       0.90968000      15.76445000       1.42591732       1.20947973      -0.49313754
Cr       4.61093000       1.05412000      15.89123000      -2.45276482      -0.69299555      -0.31525989
Cr       2.95409000       3.61406000      15.75858000      -0.30878016      -1.43839886       0.45522338
Cr       4.24226000       2.39494000      25.23842000       1.18866598       1.36678798       0.76107296
Cr       1.38055000       2.39375000      25.31874000       0.54974375       1.58766925       0.80886052
Cr      -0.06003000       4.97467000      25.35510000       0.96507803       1.38303990       0.27764650
Cr       1.46939000       4.30268000       6.35668000       0.19229653      -1.00947927      -0.30608495
Cr      -1.40006000       4.16617000       6.23283000       0.16772784       0.63170932       1.78691203
Cr      -0.06584000       1.77284000       6.11762000       0.38744457      -0.97885210       1.54061711
Cr       0.11444000       0.26744000      18.28372000      -0.49977953      -1.92228731      -1.59303497
Cr       2.90002000       1.68215000      27.72799000      -0.54423544      -0.74322450       1.00297303
Cr       0.02612000       3.27897000       8.67730000      -1.98339788       0.52070536       1.64139444
Cr       5.81889000       0.00129000       4.05697000       0.72309324      -1.13739196      -3.30731368
Cr       3.10715000       1.72643000      13.44923000      -0.41836944      -0.46800047       0.07625341
Cr       0.08366000       3.39209000      23.00278000      -0.91349229       0.98312834      -1.41963655
Cr      -0.01137000       1.75780000      20.59083000       0.23305786       0.76521961       1.12627187
Cr       1.45845000       4.28046000      20.55170000       2.04203596       1.19491297       0.32417416
Cr      -1.36761000       4.38940000      20.65378000       0.42293133      -0.92172037       0.54344872
Cr       2.95629000       3.30048000       1.64047000      -0.13744304       2.23379276      -0.43151708
Cr       1.38543000       0.81204000       1.61644000      -1.34795289      -0.04548462      -1.23546835
Cr       4.34811000       0.76376000       1.70005000      -2.41078743      -0.20579760      -2.72238509
Cr       0.05419000       5.08100000      11.04676000      -0.61991585      -4.08185014      -0.69769726
Cr      -1.30474000       2.35171000      11.14180000      -1.96238669       0.96401620      -1.60776310
Cr       1.57303000       2.37579000      11.07047000       0.41750198       0.75378550       0.58914229
O        1.40914000       0.86514000      19.49933000       1.02033970       0.99888725       0.45188371
O        4.56085000       0.92259000      19.37932000      -0.00182655      -0.49923923       1.05868778
O        3.16791000       3.77797000      19.48401000      -2.00017657      -1.06272550      -0.82943760
O        4.22835000       2.37566000       0.49986000       0.27906379       0.19959292      -0.62495288
O        1.69394000       2.57693000       0.34547000      -1.32856472      -0.89479923       0.76252644
O        2.79683000       0.08746000       0.48620000       0.41970922       0.77329643      -0.41975293
O        1.39866000       3.94137000       9.89979000      -1.74552319       0.08783007       0.68292081
O       -1.41173000       4.02091000      10.07721000       1.03895283       0.17886314      -1.51518683
O        0.17475000       1.74153000       9.82764000      -1.09226479      -1.45975697       0.62954066
O        1.81640000       0.70619000      12.31979000      -1.70932326       1.69275482       0.34383232
O        4.34373000       0.63471000      12.20092000       1.82148031       1.84457941       1.12074191
O        3.04591000       3.23312000      12.20132000       0.30721953      -1.10458935      -0.14721214
O       -1.29198000       2.66945000      21.76798000      -0.48342400       0.45801250       0.00893254
O        1.44898000       2.76561000      21.83885000       0.25487647      -1.15580739      -1.45747582
O        0.15085000       5.08185000      21.77882000      -0.63656459      -0.39536192       0.27427080
O        1.57768000       4.27447000       2.79943000       0.48278465      -0.66804915      -0.13772318
O       -1.56574000       4.33530000       2.77317000      -0.70513422      -0.40679299       0.32474455
O       -0.28577000       1.44720000       2.82128000       3.03635710       2.21086550       0.74287195
O        1.33087000       0.71044000       5.17746000      -0.79011642      -0.28629008       0.53170005
O        4.42683000       0.71813000       5.17700000      -0.51215913       1.21599533       0.28557851
O        3.00434000       3.59809000       5.22823000      -0.93749187      -1.40284257      -0.21010306
O       -1.45607000       2.57023000      14.73174000      -1.01167342       0.76957046      -0.56396522
O        1.67109000       2.68146000      14.51057000       1.04419024      -1.41109543       1.39874407
O        3.16518000       0.11635000      14.72477000      -0.56466543       2.31245745       1.09444651
O        1.45507000       4.01699000      24.20895000       0.00961279       1.38587751       0.65356553
O       -1.25167000       4.09942000      24.24924000      -2.62313912      -0.23710811      -1.27054312
O       -0.07235000       1.87660000      24.19672000      -0.41584312      -2.11427536      -0.28534550
O        0.14439000       0.14887000      21.62969000      -0.98839503      -0.93189127       0.53114040
O        2.76943000       1.65008000       2.60014000       0.84350931       0.23973167       2.05432776
O        0.04412000       3.26480000      12.08675000       1.08638446      -0.07209523      -0.38409794
O        2.98905000       5.00957000       7.30223000       0.32972452       0.82825026      -0.01599704
O        2.92893000       1.81328000      16.88962000       0.37707775       0.52525269      -1.00359649
O        0.03935000       3.45496000      26.40062000      -0.76572692      -2.24570761       0.97617237
O        5.69580000       0.11375000       0.44736000       1.46756085      -1.16426545       0.84867286
O        2.97863000       1.52347000       9.90635000       0.59176250       0.82959839       0.87319728
O        0.03477000       3.34390000      19.46863000       0.33238450       1.58096366       0.49703694
O        0.13289000       1.75016000      16.93343000       0.67829230       0.07909072       0.06714110
O        1.68897000       4.66450000      17.12545000       0.01853043      -1.52333353      -1.56013845
O       -1.59555000       4.41982000      16.84325000       0.34484742       0.76547756       0.95122482
O        2.83354000       3.19306000      26.41052000       0.58416933      -1.11482804       0.00576669
O        1.47513000       0.82197000      26.41454000       0.60232662      -0.23908505       0.64004288
O        4.10532000       0.84334000      26.47246000       1.52219301       0.32909569      -0.21349442
O        0.04973000       4.86610000       7.48963000      -0.99566095       0.80981686      -0.57119466
O       -1.27927000       2.54063000       7.35665000      -1.68900346       0.33496299       0.04997634
O        1.21306000       2.63444000       7.36698000       1.97243551      -0.88493184      -1.18719726
Zn       2.84563000       4.98185000      27.05447000      -0.38739098       0.67203329       0.92317609
Zn       2.75606000       1.64533000       7.98746000       0.84217916      -0.03938561       0.31826932
Zn       0.06301000       3.62162000      17.49760000       0.15319105       0.14654083       0.37112801
Zn      -2.88824000       5.09341000      23.57601000      -0.13785306      -0.27805244      -0.05848060
Zn       2.67394000       1.79919000       4.73213000       2.32756986       0.39770480      -1.75506988
Zn       0.04783000       3.55915000      13.94042000      -0.15292975      -0.54875713       0.10684683
Zn       0.06254000       0.21989000      13.40233000       0.18807666      -0.91725323      -0.64882563
Zn       2.85562000       1.75169000      22.89309000       0.68775323      -0.17228710      -0.60253070
Zn       0.20795000       3.37377000       3.71183000      -2.00156772      -0.40952602       0.38710901
Zn       2.77487000       4.84977000       9.23709000       2.90637198       1.59406730       0.09040114
Zn       2.88958000       1.89019000      18.89804000       0.93515726       0.52238876      -0.31753419
Zn      -0.05196000       3.34543000       0.02276000       0.05414505      -0.09218959      -1.08145439
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.99017757 magmom=71.9989052 free_energy=-551.99017757 stress="-0.03794779410127815 -0.002372386633692165 -0.0038380212706696365 -0.002372386633692165 -0.050909833017830544 0.006299554080972894 -0.0038380212706696365 0.006299554080972894 -0.04298814500589173" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55577000       0.83066000      15.74226000       0.48709670       3.00146384       0.44489760
Cr       4.63286000       1.09686000      15.82819000      -1.73417990       1.27628704      -0.20722155
Cr       2.99132000       3.63103000      15.78444000      -1.25038779      -1.31042217      -0.54684685
Cr       4.37295000       2.52294000      25.18171000      -0.18553453      -2.18203520       1.17995853
Cr       1.35721000       2.43327000      25.33889000       2.66749524       0.15079800       0.03609981
Cr      -0.07602000       4.92883000      25.27215000       0.63311431       1.53154137       1.25973424
Cr       1.41911000       4.25659000       6.36139000      -1.22983418       1.22931926      -0.76914618
Cr      -1.47051000       4.16762000       6.40564000      -0.75035194       1.53831704      -1.71510335
Cr      -0.07452000       1.63584000       6.29410000      -0.24243849       2.37693820       1.45015919
Cr       0.10255000       0.22277000      18.33140000       0.31653226      -0.67322896      -2.17071577
Cr       2.86139000       1.67340000      27.68264000       0.55319883      -1.59187307       1.79267016
Cr      -0.05602000       3.38521000       8.71349000      -0.57312648      -2.02326658      -1.91171275
Cr       2.93195000       5.04194000       4.05193000      -1.49133476       0.75420016       0.10979732
Cr       3.17158000       1.76820000      13.35499000      -3.23711336      -0.10267294       2.35617783
Cr       0.21092000       3.42117000      22.91613000      -1.13941997       0.05821005       0.13614066
Cr      -0.04671000       1.72032000      20.61510000       1.63887667       1.56257858       1.39081387
Cr       1.54722000       4.24908000      20.52493000       0.75471320       0.89994608       1.00467586
Cr      -1.29655000       4.43901000      20.77352000      -2.36641998      -2.59139658      -2.87115674
Cr       2.92933000       3.37952000       1.70291000      -0.91684223      -1.68102544      -1.45044517
Cr       1.36740000       0.73281000       1.56931000       1.79859864       2.32348992       1.61654482
Cr       4.36476000       0.83100000       1.76835000      -0.28555301      -0.38336810      -0.98122305
Cr      -0.01627000       5.01567000      10.92981000      -0.94781587       0.95078930       2.97907702
Cr      -1.39398000       2.46392000      11.07881000      -1.90849938      -1.12005528      -2.26011278
Cr       1.50566000       2.34180000      10.97753000       0.13765677       1.58473982       0.75860490
O        1.49753000       0.88125000      19.65955000      -0.69563903      -0.03580880      -1.60788310
O        4.54677000       0.87564000      19.55579000      -0.29477348      -0.29664163      -1.42786562
O        2.96946000       3.71066000      19.37275000       1.30144989      -0.29120051       0.36756726
O        4.22094000       2.27766000       0.43613000      -0.86977340       1.03393832       0.49885421
O        1.53911000       2.44999000       0.51102000       0.30232911      -0.11050315      -0.64206604
O        2.92566000       0.18763000       0.49935000      -0.50469072      -1.60642307      -0.56809546
O        1.17275000       4.05451000       9.91889000       3.29501696      -0.03432723      -0.46446385
O       -1.43847000       4.13834000       9.84356000       0.86635405      -0.99051905       1.22043293
O        0.14046000       1.69590000       9.80432000      -1.89233262      -0.19037529      -0.11602763
O        1.69060000       0.86888000      12.15288000      -0.26545946      -1.27613071       1.38671199
O        4.33002000       0.84164000      12.21714000       1.49816613      -1.00766139      -0.97513976
O        2.96767000       3.11118000      12.13043000       0.35467702       2.19083448      -1.18922487
O       -1.23056000       2.76192000      21.83781000      -0.70048894      -0.92196494      -0.63400559
O        1.46259000       2.63999000      21.59427000       0.25932288      -0.45733624       1.85173557
O        0.08581000       5.02613000      21.75291000       2.27734215       0.98523127       1.89765075
O        1.61657000       4.26418000       2.81951000      -0.92018423       0.27718908      -0.09440569
O       -1.73236000       4.31888000       2.81172000       2.09018114      -0.69665836      -0.22675554
O       -0.02501000       1.53740000       2.94957000      -0.20724880      -0.44416880      -1.80202493
O        1.21988000       0.65254000       5.31211000       1.47337327       0.47782716      -0.75926819
O        4.39697000       0.83076000       5.38091000      -0.50456717      -0.47231784      -1.87227512
O        2.82064000       3.54207000       5.23698000       1.03791111      -0.18463633       0.50806572
O       -1.59024000       2.80152000      14.61312000       1.30028318      -0.73208646      -0.09645739
O        1.66533000       2.53298000      14.73019000      -0.57291941       1.02585393      -1.51424552
O        3.13599000       0.43873000      14.75448000       0.64401224      -3.08292514      -1.04815439
O        1.47968000       4.14888000      24.28146000      -0.78024596      -0.20805152      -0.13989039
O       -1.48205000       4.09879000      24.10937000       2.71086505      -0.33343166       0.44854546
O       -0.01440000       1.81824000      24.14353000       0.03564090       1.26461588      -0.21324132
O        0.11336000       0.00929000      21.66359000      -1.08123095       0.45614015      -0.34850197
O        2.88721000       1.66956000       2.77917000      -0.19891399      -0.11091027      -1.16454733
O        0.04300000       3.13997000      12.02686000       0.52953240       1.78973637       0.24653710
O        2.89701000       5.10141000       7.33211000       0.20445320      -0.64588945       0.79371429
O        2.89206000       1.95063000      16.77515000       1.39225761      -1.03836243       1.22032701
O       -0.01955000       3.14480000      26.40672000      -0.76602547       1.62465977       0.03472754
O        2.91047000       5.08464000       0.57029000      -0.97623530      -0.66516553      -0.60447975
O        2.91010000       1.57388000       9.91418000       1.42367096       0.16871014       0.34062473
O        0.22683000       3.36004000      19.49221000      -1.87407755       0.53660804      -0.03151614
O        0.20052000       1.73450000      16.94731000      -0.21096696      -0.71128094       0.32573382
O        1.72252000       4.66310000      16.96214000       0.00593859      -0.67734269       0.40982360
O       -1.49338000       4.35438000      16.82815000      -0.20071381       1.05412721       1.56405248
O        3.16222000       3.12195000      26.49066000      -2.72077236       1.43519856      -0.10841722
O        1.49175000       0.79516000      26.36349000       0.55590596      -0.04937044       0.64702994
O        4.20390000       0.87178000      26.37466000      -0.10234086      -0.71722813       0.20659948
O       -0.05586000       4.95548000       7.53698000       0.04406399      -0.11661294      -0.68651908
O       -1.37688000       2.66992000       7.42691000      -0.34269498      -2.23752862       1.11444822
O        1.32661000       2.68305000       7.33277000      -1.18261169      -1.04330771       0.92592121
Zn       2.84357000       4.97460000      27.13550000      -0.20376475       0.37437120       0.19660452
Zn       2.74713000       1.73753000       8.00682000       1.53616834      -0.66752360       0.22170718
Zn       0.11573000       3.59772000      17.53766000       0.56837678      -0.11716784       0.15655949
Zn       0.11846000       0.08835000      23.55259000      -1.35804085      -0.78594439      -0.24353919
Zn       2.63275000       1.76942000       4.68129000       1.21554255      -1.01464139      -0.08654267
Zn       0.11646000       3.55213000      13.84766000       0.42878100       0.28632485       1.81122996
Zn       0.06659000       0.23808000      13.41622000       0.23001500      -0.28904127      -0.81945125
Zn       2.84959000       1.77137000      22.90659000       0.58185048      -0.07973563      -0.69377351
Zn       0.16537000       3.27656000       3.72412000      -0.90602461       0.73523038       1.11501025
Zn       2.81539000       4.80120000       9.23798000      -0.15053209       1.49629819       0.39484670
Zn       2.95283000       1.83602000      18.81273000       0.22635465       0.31118400      -0.51251152
Zn      -0.17526000       3.25745000       0.05501000       1.36500214       1.23686809      -0.84543900
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.57464798 magmom=71.9997535 free_energy=-552.57464798 stress="-0.037730953638441714 0.0012613414112801914 0.008622756093583362 0.0012613414112801914 -0.03935577412090521 -0.00014794222242591845 0.008622756093583362 -0.00014794222242591845 -0.039205573452092655" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.62868000       0.91575000      15.77363000      -0.30383073      -0.27440522       0.41736291
Cr       4.55961000       1.17888000      15.77941000       1.56060356      -1.58401676      -0.81687702
Cr       2.97872000       3.57426000      15.79232000       1.16706302       1.00770959      -0.93375429
Cr      -1.44088000       2.52719000      25.21669000      -1.80295928      -1.77279432      -0.06768329
Cr       1.50148000       2.48524000      25.41975000      -0.43699577       0.64606521      -1.55554759
Cr      -0.04699000       5.00033000      25.29220000       0.11740511       0.19230997       0.28573384
Cr       1.29566000       4.25791000       6.32665000      -0.05663753       0.12037373      -0.50166963
Cr      -1.58415000       4.22693000       6.49935000      -0.90217935      -1.41101188      -2.12223368
Cr      -0.10948000       1.62925000       6.53487000      -1.23211677      -0.07467342      -3.26861770
Cr       0.09070000       0.14421000      18.31013000       0.51467924      -0.34318938      -2.08433013
Cr       2.83289000       1.58958000      27.71877000       1.09829206      -0.44493810       0.71658306
Cr      -0.14115000       3.36831000       8.65607000       2.76823546      -0.94765071       0.97619129
Cr       2.93131000       5.01088000       4.01181000      -0.09942215       0.85627126       1.24379789
Cr       3.06341000       1.80667000      13.35750000      -0.42475920       0.20227629      -1.71551289
Cr       0.25983000       3.44833000      22.84288000      -1.36983416      -0.67225328       2.43795300
Cr       0.01319000       1.73622000      20.64129000       0.16271188       0.36806667      -0.94179166
Cr       1.67776000       4.26368000      20.52771000      -3.78666585      -1.36962015       0.67522869
Cr      -1.33995000       4.36421000      20.74556000       0.71680835       0.13837926      -1.57558837
Cr       2.84758000       3.35823000       1.68616000      -0.05863934      -1.42044013       0.01185229
Cr       1.45199000       0.76041000       1.58508000       1.24813468      -1.91524026       0.90321399
Cr       4.34066000       0.86109000       1.73893000       1.82368416      -1.65235969      -1.64697634
Cr      -0.10860000       4.98273000      10.97250000       2.67087668       1.98345129       2.06030886
Cr       4.32985000       2.51507000      10.90605000       3.38099474      -0.82293240       2.60354031
Cr       1.44658000       2.39800000      10.93240000      -0.50388831       0.74937185       0.37122089
O        1.46461000       0.87713000      19.55084000      -0.53818121      -0.41158765      -0.38868904
O        4.50668000       0.79969000      19.51153000       1.11719943       0.58322952      -0.71903504
O        2.98813000       3.59579000      19.32657000       1.19879877       0.52858870       0.62663272
O        4.03447000       2.34293000       0.46860000       1.35143809       0.48101343      -0.15136096
O        1.45456000       2.31651000       0.54950000       0.33652179       1.33287509      -1.80354000
O        2.96947000       0.04265000       0.44434000      -0.33790134      -0.04932339      -0.03906206
O        1.32893000       4.11264000       9.88325000      -1.89804275      -1.16900869      -0.50203241
O       -1.32867000       4.09404000       9.85240000      -2.23890831       1.42056169      -0.34526944
O       -0.20394000       1.67392000       9.80571000       2.04215416       0.75744925      -0.53736860
O        1.54015000       0.90352000      12.20511000       1.26012196      -0.60517753       0.23007968
O        4.49134000       0.99525000      12.13838000      -1.70678011      -0.87028732       1.08131856
O        2.94595000       3.24449000      11.92111000      -1.12330679       0.53142914       2.26016477
O       -1.22328000       2.72379000      21.75255000      -0.73037709      -0.43951624       0.31999206
O        1.47652000       2.51035000      21.65528000       1.02660969       0.78913537       0.39093694
O        0.28054000       5.03928000      21.92032000      -1.02908512       1.15010525      -2.06523394
O        1.56731000       4.32453000       2.80143000      -0.61201547      -0.21888840       0.50904681
O       -1.62969000       4.20612000       2.81603000       0.42677881      -0.15417673       0.03653292
O        0.23429000       1.51736000       2.78049000      -2.72029226       0.05117928       0.95886936
O        1.25389000       0.65973000       5.35387000      -0.56758166       0.55842512      -0.36781142
O        4.37117000       0.86208000       5.30119000       0.98433273      -0.88537905      -0.38772327
O        2.81215000       3.49192000       5.37338000       0.25185607       0.26536146      -1.07775098
O       -1.59083000       2.84852000      14.50513000       0.76727687      -0.95667523       0.80347108
O        1.65057000       2.53811000      14.69983000       0.25909933       0.67098714      -0.72708592
O        3.17201000       0.30018000      14.63100000      -0.29485117      -0.13041864       0.20979898
O        1.34860000       4.22532000      24.31452000       2.27991037      -0.81280078      -0.83463678
O       -1.26543000       4.04922000      24.04527000      -0.97167353       1.67604274       0.24332456
O        0.06026000       1.97128000      24.07693000       0.59256304      -1.83564149       0.82324100
O        2.91922000       5.07556000      21.59175000       2.38722065       1.20386179       1.55299518
O        2.98584000       1.68089000       2.70962000      -1.52169791      -0.13879810       0.40892876
O        0.08790000       3.32742000      11.91676000      -1.26400538       0.09000518       1.28800701
O        2.83589000       5.06756000       7.42269000      -0.46846775      -0.64602096      -0.43272393
O        3.11035000       1.90580000      16.77468000      -0.70272708      -0.30947338       0.59730060
O       -0.12650000       3.11649000      26.37119000       1.68653569       1.87365270       1.49100251
O        2.95897000       4.89498000       0.64679000      -0.71776454       2.37044945      -1.71399452
O        3.02255000       1.61481000      10.04759000      -2.90070122      -1.50602051      -2.92722771
O        0.10302000       3.50809000      19.60407000      -0.37746200      -0.49317278      -0.44246071
O        0.22989000       1.59060000      16.96847000      -0.75876357       1.96826727       0.02314966
O        1.74723000       4.56084000      16.81168000      -1.09599801       0.46222207       1.44022270
O       -1.48161000       4.51567000      17.04018000       0.00696780      -0.85536173      -0.74766963
O        3.03345000       3.16713000      26.50062000      -0.85018480      -0.27299686       0.05154306
O        1.60897000       0.77271000      26.41153000      -1.24397290       0.39627835       0.80263121
O        4.28363000       0.81022000      26.31580000      -0.29355458       0.59031249       1.48112846
O       -0.15759000       4.96599000       7.43175000       0.78647758       0.44728073       1.15285941
O        4.40486000       2.52986000       7.59603000       1.08818775       1.22248583      -1.41057399
O        1.20938000       2.60307000       7.41461000       0.70487959       0.65434526       0.75683093
Zn       2.82883000       4.99330000      27.23040000       0.25668670       0.24846979      -0.08952393
Zn       2.81179000       1.79062000       8.03886000      -0.93737377      -1.49553330       0.99402222
Zn       0.19656000       3.56754000      17.58841000      -0.31661643      -0.17485549       0.19977839
Zn       0.11391000       0.14311000      23.52919000      -0.37891710      -1.11054549       0.52152571
Zn       2.66815000       1.69569000       4.61420000       0.99229364      -0.07820448       0.29411202
Zn       0.20383000       3.56260000      13.84740000      -0.40822764       0.04013263       0.07454659
Zn       0.08074000       0.23826000      13.40019000      -0.32638417      -0.06208789      -0.75341508
Zn       2.87987000       1.78563000      22.89897000       0.77288456      -0.44296942      -0.26155610
Zn       0.06274000       3.21619000       3.80097000      -0.48861244       0.78442203       0.39864489
Zn       2.87686000       4.84017000       9.26364000       0.58689602       1.56109586       1.36731281
Zn       3.03100000       1.79565000      18.70788000      -0.28797286      -0.57190570       0.70207948
Zn      -0.23135000       3.23035000       0.03598000       0.69314937       0.42841317      -0.83868997
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.61148089 magmom=72.0015448 free_energy=-552.61148089 stress="-0.03448916103419901 0.0020441212769443003 0.002254838363698086 0.0020441212769443003 -0.022876197607788737 -0.0070918797543846925 0.002254838363698086 -0.0070918797543846925 -0.04330122743606072" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.66779000       1.00798000      15.85323000      -0.64330559      -0.83874688      -0.72817506
Cr       4.57566000       1.15522000      15.69947000       1.70044214      -2.79965785      -0.29538788
Cr       3.02165000       3.58343000      15.76856000       1.27722887       0.90606237      -0.26528819
Cr       4.47323000       2.43146000      25.28537000       0.80976090       2.03291473       0.59786975
Cr       1.63061000       2.54553000      25.45110000      -3.95112971      -0.50688267      -2.19219582
Cr       2.96254000       0.00098000      25.36184000       0.28537713      -1.32405422      -0.28617574
Cr       1.15415000       4.26248000       6.25104000       1.39929594      -1.53743484       0.20987035
Cr      -1.72752000       4.23449000       6.46871000       1.94744062      -0.13387315      -0.68516616
Cr      -0.20267000       1.62967000       6.58422000       1.56029179      -1.63371499      -4.06534427
Cr       0.08227000       0.03974000      18.23443000      -0.23750214       0.71880056      -1.66531171
Cr       2.84205000       1.47940000      27.77894000       0.49716835       1.90160679       0.25129618
Cr      -0.09545000       3.31794000       8.66276000      -1.73181334       3.25548599       0.65754787
Cr       2.91770000       5.02667000       4.02828000       0.37230805      -0.31288806      -1.57809917
Cr       2.92024000       1.85901000      13.28841000       2.48810016      -0.25327500       1.07906499
Cr       0.22372000       3.45394000      22.90096000      -1.01339824       0.23738637       0.82265652
Cr       0.10437000       1.75843000      20.58479000      -0.40241018       0.01509909      -0.04723023
Cr       1.65820000       4.25650000      20.54892000      -0.83598833       0.67691961       1.06845626
Cr      -1.37841000       4.29123000      20.61439000       0.53275767       1.50094732       1.42915398
Cr       2.75007000       3.27954000       1.63885000       0.48845117       2.37482639      -0.39937275
Cr       1.60086000       0.71813000       1.62849000      -4.07926190      -2.13082434      -1.06413057
Cr       4.40129000       0.79584000       1.60972000       0.30136894      -0.29630265      -0.16919532
Cr      -0.08763000       5.08813000      11.13441000       1.21293626      -0.03832199      -2.31718482
Cr       4.26445000       2.50135000      10.85853000      -0.15116080       0.77664816       2.23645256
Cr       1.35450000       2.51553000      10.93003000      -0.03969014      -1.01094559       1.39948794
O        1.36005000       0.82312000      19.35852000       1.83732148       0.91717950       0.84117956
O        4.63356000       0.80617000      19.36096000       0.01644580      -0.29681119       1.12670066
O        3.22244000       3.56247000      19.40965000      -2.05853580      -0.27379828      -0.44821352
O        4.03850000       2.45326000       0.48142000       0.72396850      -1.26002145      -0.50871700
O        1.48510000       2.34579000       0.33721000       0.16029186      -0.51543831       1.28715861
O        0.01695000       5.05355000       0.40871000       0.03265605       1.28891133       0.55708622
O        1.25303000       3.94588000       9.73648000       1.24030034       2.54805576       1.51882914
O       -1.45377000       4.20699000       9.92218000       1.75684114      -0.95896748       0.23883568
O       -0.21330000       1.81910000       9.76089000       0.82546461      -1.98887772       1.28931017
O        1.65267000       0.84921000      12.27874000      -1.88101998       1.00637531      -0.39532239
O        4.30853000       1.03373000      12.18207000      -0.05586480      -0.77637244      -0.78322610
O        2.77528000       3.39191000      12.02169000       0.41434315      -0.79035934      -0.06185743
O       -1.25736000       2.63416000      21.69112000       0.31723876       0.47538766       0.98905965
O        1.55522000       2.59074000      21.79132000      -0.26216470       0.48464517      -1.42855281
O        0.29886000       5.09289000      21.75414000      -0.88184239      -0.77697334      -0.21357583
O        1.47507000       4.37155000       2.84023000       0.45140489      -1.45907559      -0.18680329
O       -1.49799000       4.09660000       2.80933000      -1.50725621       0.87765730      -0.16818357
O        0.02737000       1.37618000       2.69083000       0.43860823       1.26821214       1.02193346
O        1.18298000       0.74384000       5.34498000       0.54197358       0.38063264       0.16807292
O        4.51578000       0.70576000       5.16029000      -1.62548129       1.40636105       0.70214959
O        2.82797000       3.54335000       5.32556000      -0.98209046      -1.72240122      -1.05009312
O       -1.48807000       2.66444000      14.54379000      -0.38259530       0.93224977      -0.14167205
O        1.75177000       2.64410000      14.55759000      -0.40040039      -0.42989933       1.74768033
O        3.16877000       0.21139000      14.55928000      -0.80014042       2.08858908       1.01107002
O        1.51199000       4.15251000      24.23000000       0.30526915       0.74988875       0.55661135
O       -1.13208000       4.23736000      24.09281000      -1.70837342      -0.60431979       0.38975456
O        0.21415000       1.92766000      24.19826000      -1.05384682      -0.59009420       0.19215948
O        0.15882000       0.10113000      21.61241000      -0.57390568      -0.67299611      -0.38609648
O        2.87223000       1.62834000       2.60075000       0.99492905       0.17739456       1.81269460
O       -0.07487000       3.47312000      12.00114000      -0.13329365      -2.43362461      -0.03848139
O        2.67678000       4.92587000       7.41006000      -0.32591503       1.14760852       0.64290243
O        3.22374000       1.81051000      16.79425000      -1.83631838       1.34284815      -0.63895030
O        0.00731000       3.42376000      26.45299000      -0.17327933      -0.70319300      -0.48160771
O        2.86062000       5.04104000       0.54460000       0.59213030      -0.43228026       1.73926588
O        2.77674000       1.49311000       9.86705000       0.24899351       1.14107608       3.20168515
O       -0.04175000       3.53062000      19.61607000       3.16627045      -1.26265834      -1.68607849
O        0.14095000       1.71236000      16.94772000       0.21638468      -0.16319729      -0.41876472
O        1.65680000       4.53429000      16.85479000       0.97408524      -0.08688694      -0.28665047
O       -1.49031000       4.56808000      17.04938000       0.59727913      -1.26586033      -1.85759821
O        2.81960000       3.20990000      26.57021000       3.43961864      -0.11187958       1.47704458
O        1.52332000       0.79780000      26.55313000       0.36966281       0.20256363      -1.00822874
O        4.26826000       0.87099000      26.50270000       0.16858188       0.56408015       0.12536275
O       -0.15907000       4.95550000       7.46448000      -0.58116113       0.21952806      -0.07653477
O       -1.44381000       2.58945000       7.52177000      -2.28862645       0.58301804       0.08621056
O        1.15481000       2.61226000       7.53880000       1.45058890      -0.74542361      -2.08452150
Zn       2.82816000       5.02829000      27.31849000       0.33391900      -0.08978732      -1.32753265
Zn       2.85242000       1.76807000       8.10838000      -0.68441514      -0.53307174      -2.18027813
Zn       0.26435000       3.52456000      17.65595000      -1.29835815       0.17475230       0.21331912
Zn       0.08427000       0.13442000      23.53429000       0.18591998      -0.87920117       0.43879055
Zn       2.76227000       1.60254000       4.56192000       0.48223709       0.32866947       0.45690422
Zn       0.26772000       3.56861000      13.86155000      -1.26145183      -0.21147767       0.46317597
Zn       0.07883000       0.23153000      13.35621000      -0.43963479      -0.44727816      -0.28793417
Zn       2.96044000       1.77683000      22.88672000       0.99628646      -0.49804540      -0.25663599
Zn      -0.07332000       3.20372000       3.91847000      -0.06665767       0.30750652      -0.49960188
Zn       2.94512000       4.97226000       9.35431000      -2.27533548       1.04218477      -0.31763328
Zn       3.09685000       1.72697000      18.64289000      -0.55527252      -0.18919791       2.09150186
Zn      -0.24468000       3.22528000      28.57653000       1.02695489      -0.06568169      -1.16070178
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.08260987 magmom=71.9988151 free_energy=-552.08260988 stress="-0.03147435636329565 -0.004669930332814404 -0.006227910631362023 -0.004669930332814404 -0.039191055458447 0.004538604199809829 -0.006227910631362023 0.004538604199809829 -0.04244541243277141" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64675000       1.04807000      15.89928000      -0.45267100       0.30529545      -2.15994533
Cr       4.68679000       0.98000000      15.61514000      -2.09743043       1.14004497       0.17261682
Cr       3.13570000       3.65428000      15.74462000      -0.13187371      -1.83461888      -2.05915176
Cr      -1.38352000       2.44273000      25.40377000      -0.11863554       3.15992661       0.41221984
Cr       1.59188000       2.57934000      25.42957000       0.65159287      -0.00704856       1.21186781
Cr       3.02366000       0.06448000      25.45773000      -0.36207072       0.24515792      -1.76501236
Cr       1.09163000       4.18337000       6.18775000       1.81251536      -0.87190428       0.46060659
Cr      -1.78290000       4.23468000       6.37806000      -0.12750194       0.48928544      -0.74281229
Cr      -0.23682000       1.56830000       6.40148000      -0.01747330       1.84781339       0.47529922
Cr      -2.86899000       5.06918000      18.10347000       1.89269081       1.68803889       0.99071745
Cr       2.85642000       1.47162000      27.83311000       0.11545855       2.93438058      -0.24041682
Cr      -0.11263000       3.41770000       8.71155000       0.40920894      -0.47400459      -1.38950044
Cr       2.90671000       5.02779000       3.96708000      -1.07863797      -0.70787591      -0.04404060
Cr       2.90551000       1.89792000      13.29538000       0.72202359      -0.38982789       3.25982807
Cr       0.12925000       3.47473000      23.01045000       0.39058483      -0.00025496      -0.86493264
Cr       0.17726000       1.76409000      20.50854000       0.57502662      -0.21739714       1.28962904
Cr       1.59600000       4.29771000      20.57773000       2.09454817       0.62833821      -0.36893728
Cr      -1.36454000       4.28815000      20.51859000       1.20387574      -0.16514479       0.13199231
Cr       2.69976000       3.30221000       1.57779000       2.13092868      -1.09123362       1.23435690
Cr       1.55944000       0.58115000       1.60875000      -1.78713929       2.02370355       1.37201241
Cr       4.46116000       0.72476000       1.49127000      -2.46516859       1.71352153       4.38809443
Cr       2.92299000       0.05777000      11.18037000      -3.01892441      -3.92365133      -2.25420978
Cr       4.22136000       2.52291000      10.96320000      -0.00251392       0.91046111       0.27426875
Cr       1.26640000       2.59245000      11.02041000       0.20601319      -0.88785857       1.58141401
O        1.51274000       0.88012000      19.30295000      -0.65659472      -1.40003066       0.16862565
O        4.77945000       0.78601000      19.41217000      -1.05751276       0.19060584      -0.73887437
O        3.12582000       3.51909000      19.43402000      -0.46506270       0.41213429      -0.94926771
O        4.15271000       2.34562000       0.44111000       0.10965912       0.20233648       0.10375631
O        1.55356000       2.31787000       0.34495000      -1.54929220      -0.10526393       0.65146813
O        2.97598000       0.01609000       0.45463000      -0.22264025      -1.90695362      -0.74459285
O        1.26907000       4.13873000       9.88208000      -0.10027873       1.08063083       0.18457241
O       -1.32429000       4.17910000       9.99778000      -1.66960029       0.39874784      -0.74993338
O       -0.07330000       1.78875000       9.90334000      -1.69683121       1.42044849      -0.27544332
O        1.54385000       0.96994000      12.24384000      -1.11740416      -0.23881521       0.48145643
O        4.11275000       0.98981000      12.12449000       3.17097707       0.42573371       1.54029379
O        2.66757000       3.35403000      12.12241000       1.30032980       1.40324482      -0.47149385
O       -1.17530000       2.67785000      21.77927000      -0.51635621      -0.30444914      -0.16603969
O        1.51543000       2.78370000      21.70640000       0.08557852      -1.72322630       1.39078689
O        0.12444000       4.96850000      21.56042000      -0.18494345       1.17534341       2.36876624
O        1.52981000       4.20596000       2.80424000      -0.74110017       0.32532634      -0.63702993
O       -1.68784000       4.18017000       2.75285000       0.33561371      -0.63488339       0.30161369
O       -0.18175000       1.42771000       2.81515000       1.34823365       1.16522363      -0.59868572
O        1.15394000       0.82455000       5.35217000       0.69000196      -1.13051319      -1.22223228
O        4.44078000       0.70295000       5.16570000      -0.33671991      -0.25270878       0.01892489
O        2.70994000       3.40008000       5.12746000       0.30971625       1.00165479       0.93905765
O       -1.47079000       2.60058000      14.58937000       0.53024061       1.15901079      -0.97322618
O        1.82643000       2.66462000      14.71333000      -2.23553914       0.87191850      -0.65655640
O        3.02565000       0.48738000      14.66415000       0.69027317      -2.91918154      -1.12249388
O        1.64614000       4.12715000      24.25238000      -1.90272589       0.50334429       0.33655072
O       -1.22781000       4.30933000      24.24848000       0.46292970      -1.19201765       0.03211396
O        0.15835000       1.82447000      24.37790000      -0.59184209       0.90166298      -1.30948482
O        0.28589000       0.13862000      21.55469000      -1.37899049      -0.72024566       0.93856707
O        2.82260000       1.58841000       2.65951000       0.57457720      -0.08897419      -1.43430466
O       -0.24869000       3.24331000      12.04968000       0.85750027       1.60652012       0.87886541
O        2.51396000       4.98748000       7.38677000       1.22876575       0.25050853       0.08153623
O        3.07203000       1.93959000      16.67778000       1.73192927      -0.14862685       2.49826433
O        0.14330000       3.60097000      26.41693000      -0.36894550      -2.42568501       1.01228302
O        2.93258000       5.08448000       0.65373000       1.10761255      -1.86224877      -2.24149335
O        2.55833000       1.58790000      10.09912000       2.85062288       0.83070438      -2.33474616
O        0.27148000       3.37753000      19.49882000      -1.31012362       1.07884019       0.97852434
O        0.08244000       1.77018000      16.81695000       0.45031545      -1.22198084       1.09614825
O        1.72117000       4.51498000      16.84521000      -0.25440253      -0.43781011      -0.22167926
O       -1.39666000       4.43490000      16.74972000       0.46443065       0.44904957       2.35438900
O        3.10823000       3.16695000      26.73548000      -0.92661867       0.16446430      -1.63741234
O        1.49445000       0.87818000      26.50487000       1.01210228      -0.04438801      -0.09357084
O        4.31339000       1.04218000      26.66192000       0.88210888      -2.21923079      -0.79582025
O       -0.22900000       4.91983000       7.45780000      -0.30897190       0.38507670      -0.31514149
O        4.30227000       2.71268000       7.41049000       1.05227769      -1.86988281       1.41026100
O        1.22575000       2.57759000       7.34828000      -1.59575523       0.06069729       0.69022556
Zn       2.84647000       5.05923000      27.34928000       0.60154160      -0.50152634      -0.94494637
Zn       2.84700000       1.70505000       8.10835000      -0.86827475      -0.36383974       0.10292308
Zn       0.27045000       3.49351000      17.71010000      -0.69691361       0.20451667      -2.66295536
Zn       0.06977000       0.08277000      23.55533000       1.01158676      -0.11186433      -0.70841875
Zn       2.87833000       1.52827000       4.53821000      -1.01025133       0.66583145       0.35241164
Zn       0.26746000       3.56751000      13.90260000      -0.92383570       0.22052502       0.99231098
Zn       0.05287000       0.20140000      13.30863000      -0.14546375      -0.40376204      -0.20345734
Zn       3.08899000       1.74453000      22.86726000       0.00139014       0.17709061      -0.82390451
Zn      -0.21253000       3.21125000       4.01688000       0.02487573       0.03758483      -1.16905120
Zn      -0.01845000       0.03524000       9.43848000      -0.10590222      -1.92821026      -0.81580363
Zn       3.13636000       1.64788000      18.67226000       0.46037889       0.62668279       0.03440965
Zn      -0.20104000       3.22249000      28.44551000       1.04889711       0.24571258      -0.28701075
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.3164707 magmom=72.0016279 free_energy=-553.3164707 stress="-0.029373881461646156 0.0031735899363336912 -0.0032777982788050933 0.0031735899363336912 -0.030296064541101064 0.009806341314701575 -0.0032777982788050933 0.009806341314701575 -0.03734612253930101" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.61040000       1.07998000      15.86286000       2.10184598      -0.16539744      -0.98368262
Cr       4.69103000       0.87121000      15.57042000      -2.18566899       1.97991992       0.46020567
Cr       3.24094000       3.64925000      15.69067000      -1.19297850      -1.59285932      -0.18411751
Cr      -1.33841000       2.60175000      25.53707000       0.64326108      -1.21086177      -1.51448472
Cr       1.58488000       2.59381000      25.47487000       0.73409568      -0.16404182      -1.71760912
Cr       3.05042000       0.12234000      25.51169000       0.75029656      -1.77861517      -2.23991735
Cr       1.13298000       4.06743000       6.16189000       0.35660428       1.69076394       0.66079441
Cr      -1.81502000       4.23547000       6.27739000       0.38087813      -1.42405660       1.42470909
Cr      -0.25083000       1.60577000       6.24089000      -0.55808199       0.55997464       1.22598904
Cr      -2.75748000       5.06761000      18.00679000      -0.59258148       0.74023588       2.24836740
Cr       2.87458000       1.59388000      27.85278000       0.79754182      -0.56788565       0.26144400
Cr      -0.14191000       3.49475000       8.66711000      -0.15854732      -1.45843467       0.58742825
Cr       2.82513000       4.99764000       3.88294000      -1.82683205       0.61131781       0.90686356
Cr       2.94666000       1.91380000      13.46757000      -0.49890937      -0.50215765      -1.48135783
Cr       0.06085000       3.49184000      23.06372000       0.78630221      -0.59408590      -0.66412875
Cr       0.26561000       1.74638000      20.51455000      -0.59678577      -0.19563111       1.64509962
Cr       1.63699000       4.36272000      20.59472000      -0.01042927      -0.83702379       0.52451994
Cr      -1.29687000       4.29413000      20.45565000      -0.68521710      -1.69881183       1.67383149
Cr       2.77123000       3.25320000       1.56925000       0.92229757      -1.26301555      -0.06877231
Cr       1.43610000       0.56632000       1.61270000       0.64861308       2.06013444      -0.46217382
Cr       4.39119000       0.74296000       1.57786000       0.33456520      -1.31867700       0.29341840
Cr      -0.10679000       5.08291000      11.12074000      -1.61866174       2.85153957       1.99854669
Cr       4.19419000       2.59610000      11.09245000       0.95340463       0.25075899       0.03276474
Cr       1.22695000       2.61029000      11.17876000       1.84702434       0.67969475      -1.28736780
O        1.54009000       0.71648000      19.31516000      -0.03776421       0.62446324      -0.52056986
O        4.77485000       0.80357000      19.36331000       0.51180751       0.05754976      -0.30765054
O        2.93086000       3.55733000      19.26435000       1.71514640       0.09872430       0.67875290
O        4.24076000       2.25992000       0.44213000      -0.05945352       1.08843558      -0.21310543
O        1.44061000       2.27008000       0.48668000       0.64992095      -0.47125192      -0.88683053
O       -0.01654000       4.96917000       0.44398000      -0.29125116       1.96730350       0.08898754
O        1.26920000       4.46036000      10.11331000       0.08976272      -2.64688535      -2.27187685
O       -1.42121000       4.18820000       9.94186000      -0.68625472       1.07263360      -0.28383690
O       -0.20547000       1.98422000      10.02013000       0.82660905      -0.57943059      -1.49821974
O        1.32893000       1.07600000      12.26539000       2.12667163      -0.88179756       0.55306177
O        4.27576000       0.98273000      12.22910000      -1.52873944      -0.16222852       0.52794474
O        2.79230000       3.42606000      12.15467000      -0.35063460      -0.03771099       1.33464454
O       -1.13927000       2.69670000      21.78349000      -1.08894551      -0.89673161      -1.08326885
O        1.44671000       2.74104000      21.78671000       0.89903271      -0.36960054       0.15566099
O       -0.00543000       4.97619000      21.74804000       1.32926481       1.27742348       0.01113780
O        1.52204000       4.14217000       2.66893000      -1.10158104       1.15008061       0.83058210
O       -1.83899000       4.19458000       2.75190000       2.16050369      -1.41020683       0.55331289
O       -0.14461000       1.58056000       2.85036000       0.20722783      -1.08068857      -0.78752235
O        1.17825000       0.69695000       5.18453000      -0.06445230       0.45321134      -0.58006888
O        4.35476000       0.62919000       5.23458000       0.27490126      -0.27248832      -1.30793112
O        2.64899000       3.44782000       5.12612000       0.77506148      -0.88765380      -0.08969493
O       -1.46002000       2.70353000      14.50158000      -0.27542356      -1.16402670       0.62148644
O        1.62294000       2.75862000      14.79511000       1.98157865      -1.08202619      -0.13269278
O        2.99681000       0.33887000      14.61477000       0.49322475       0.06528172       0.29555865
O        1.41247000       4.19289000      24.34937000       1.06182853       1.16901454      -0.35932738
O       -1.22263000       4.17032000      24.40430000      -1.08532959       1.46508308      -0.69397453
O        0.02431000       1.93810000      24.33277000       1.14494190      -1.10822866      -0.66077702
O        0.17273000       0.02689000      21.55624000       0.48810788       0.34229970       0.49620220
O        2.89388000       1.54419000       2.49815000      -0.29970305      -0.42863678       1.98427121
O       -0.24349000       3.33144000      12.15094000       0.47546579       1.90436731       0.00167287
O        2.60193000       5.10149000       7.33257000       0.49727952      -0.89583948       0.29607867
O        3.13191000       2.01688000      16.82257000       0.13234771      -1.22117464      -1.06430820
O        0.18837000       3.42530000      26.46306000      -0.55742752       0.71001360       0.44290861
O        3.07718000       4.83311000       0.51421000      -1.63058141       0.98094902       0.66888305
O        2.78662000       1.80808000      10.08247000      -1.25173566      -1.12514034      -0.80476275
O        0.34427000       3.40823000      19.54757000      -1.99466395       0.51559639      -0.96355757
O        0.08303000       1.58435000      16.83066000       0.16591524       0.72665072       0.98843436
O        1.76587000       4.45253000      16.76014000       0.20107753      -0.12131370       0.31977299
O       -1.23941000       4.39326000      16.78254000      -1.09201315       1.05101905       0.50922920
O        3.20836000       3.14628000      26.64445000      -2.87641860       1.44925323       1.04703010
O        1.63444000       0.94439000      26.44084000      -0.81275634      -0.37786994       1.66596728
O        4.45147000       0.93844000      26.63095000      -1.42508664       0.40515142      -0.18609546
O       -0.32681000       4.88934000       7.35209000       0.66863451       0.91488796      -0.19547629
O        4.35069000       2.59938000       7.49033000       0.06772417       0.29503832      -0.75105567
O        1.00075000       2.56602000       7.27182000       1.67716893      -0.52676501       1.95530146
Zn       2.89892000       5.06051000      27.31627000       1.18955773      -0.52296560      -1.29792200
Zn       2.80014000       1.62942000       8.09915000      -0.51473980       0.08696865       0.14195725
Zn       0.23997000       3.47616000      17.64958000       0.28472936      -0.32061954      -0.80684223
Zn       0.10049000       0.02377000      23.55406000       0.11129858       0.05079989       0.48777957
Zn       2.92444000       1.50234000       4.52231000      -1.79641806       1.16027038      -0.88517430
Zn       0.21411000       3.58643000      13.98866000      -1.23657105       0.73729870      -0.21414743
Zn       0.01138000       0.14978000      13.26944000      -0.62210463      -0.44297178      -0.11317318
Zn       3.20795000       1.72117000      22.82397000      -0.54451892       0.20053764      -0.37278286
Zn      -0.33450000       3.22231000       4.05601000       0.30936251       0.00320096      -1.56249805
Zn      -0.04284000       0.12242000       9.46878000      -0.15360130       0.00754845      -0.54510729
Zn       3.18798000       1.60765000      18.71741000      -0.37325223       0.99778190       0.17332819
Zn      -0.10854000       3.22780000      28.30797000      -0.09676835      -0.64736977       1.26993311
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.72888266 magmom=72.0025854 free_energy=-552.72888266 stress="-0.03061728913227193 0.0069274068763143445 0.002265033063700539 0.0069274068763143445 -0.033867594998924604 0.0020438232511250484 0.002265033063700539 0.0020438232511250484 -0.03923884498989189" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.65326000       1.07218000      15.83120000       0.12794130      -0.84994364       0.23699139
Cr       4.58937000       0.87504000      15.59302000       1.41320468       1.00740615       1.99816696
Cr       3.26526000       3.58703000      15.70966000      -1.04747907      -0.01433741       0.53643945
Cr      -1.31090000       2.69315000      25.59286000      -2.46741892      -2.47050491      -2.23609900
Cr       1.62439000       2.58189000      25.46375000      -0.99115156      -0.58357495      -2.48410263
Cr       3.08320000       0.12126000      25.48857000      -2.13833890      -0.40520210      -0.89176429
Cr       1.19738000       4.02928000       6.18934000       0.34716350       1.17330201       1.04323691
Cr      -1.80204000       4.16720000       6.26070000       1.34979752       0.15156228      -0.38713149
Cr      -0.27751000       1.68073000       6.18379000       1.27740961      -2.10545827       0.53551877
Cr      -2.65356000       5.08925000      17.98123000      -2.86654959       0.85352678       3.42436220
Cr       2.93105000       1.68397000      27.88115000       0.00700357      -1.71265718      -0.63903589
Cr      -0.18511000       3.49239000       8.64556000      -0.19425081       0.54495732      -0.03523073
Cr       2.67172000       4.98010000       3.83320000       2.68374954      -1.11369133       0.47737494
Cr       2.95647000       1.88465000      13.55489000      -0.91075879      -1.21369477      -2.60174758
Cr       0.03977000       3.47922000      23.05567000       0.54877688       0.19988966      -0.46560549
Cr       0.31573000       1.72111000      20.60640000      -1.33119907       0.03112035      -0.59955136
Cr       1.67988000       4.37149000      20.61548000      -1.58528545      -0.99204981      -0.60676015
Cr      -1.28782000       4.22547000      20.47998000      -1.93726313       0.75772957       1.96435044
Cr       2.89446000       3.12712000       1.55091000      -0.80392173       2.17585439       1.81547968
Cr       1.36726000       0.66110000       1.58271000      -0.25199100      -1.82123734       0.97360043
Cr       4.32478000       0.70808000       1.66037000       1.01811167      -0.48705948      -3.02585426
Cr       2.69321000       0.04587000      11.13219000       1.89449906       3.78372902      -1.63637593
Cr       4.21700000       2.67715000      11.19730000       1.08506627      -0.16096578      -1.66383253
Cr       1.28702000       2.65982000      11.26504000       0.65936025       1.33967138      -2.52510188
O        1.52588000       0.67308000      19.31701000       1.23473141       1.62244784       0.39565805
O        4.87556000       0.79803000      19.29224000      -0.43480906       0.02650925       0.85875181
O        3.03163000       3.63924000      19.25247000       0.68218937      -1.63806451       1.04323684
O        4.31484000       2.35321000       0.44018000      -0.18639455      -0.20240040       0.13820573
O        1.44795000       2.18862000       0.47144000       0.65417080       1.53866305      -0.76537693
O        2.84004000       0.02283000       0.44047000       0.61945895      -0.21484574      -0.73706912
O        1.14026000       4.30146000       9.99321000       0.38830027       0.04759253      -0.17306351
O       -1.55439000       4.32683000       9.87867000       0.94592696      -0.75362980       1.15848958
O       -0.21183000       2.13397000       9.94984000       0.50256911      -2.27097094       1.68072721
O        1.52150000       1.07716000      12.35890000      -0.99910526      -0.26006874       0.29914453
O        4.15443000       1.01807000      12.37741000       1.01983788      -0.17742489      -1.87710792
O        2.87534000       3.42427000      12.37038000      -1.03016975       0.16036438      -0.66983582
O       -1.21642000       2.59733000      21.61927000       0.58650391       0.25744355       0.67985613
O        1.47873000       2.64623000      21.88568000       0.34367034       0.94908287      -0.67661935
O        0.11511000       5.10770000      21.91876000       0.18126101      -1.36763952      -1.84805748
O        1.40957000       4.26397000       2.64988000      -0.37486549      -2.53638958       0.46086240
O       -1.71400000       4.03827000       2.82909000      -0.83539530       0.71776628      -0.99658699
O       -0.08423000       1.46223000       2.71730000      -0.37701272       0.03512350       0.24145659
O        1.13770000       0.59619000       4.97218000       0.07495791       0.91120283       1.58830886
O        4.37266000       0.51438000       5.11041000      -1.01050579       1.58686956       0.38928157
O        2.70561000       3.40803000       5.14904000      -0.29055564      -1.15131317      -0.35595300
O        4.39258000       2.58783000      14.54186000       2.12289430       0.22702678       0.62490866
O        1.74290000       2.65747000      14.79023000      -1.29562014       1.33302925      -0.34634464
O        3.07793000       0.27770000      14.63387000      -1.01743383       0.27342828       0.57193063
O        1.33157000       4.38038000      24.35104000       1.84149733      -1.58870355      -1.23749260
O       -1.32029000       4.24247000      24.42311000       0.63875315       0.20716095      -0.53987447
O        0.09230000       1.92542000      24.19918000      -0.09047238      -0.43058659       1.30333907
O       -2.79991000       5.08855000      21.61019000       1.13177643       0.58340924       0.16968520
O        2.88119000       1.46405000       2.60223000      -0.86750408       0.74916397      -0.05282423
O       -0.12305000       3.70120000      12.18569000      -0.53763669      -3.31077377       0.88859180
O        2.79568000       5.08235000       7.27368000      -1.49084031       0.09057941       0.77027376
O        3.22466000       1.86494000      16.74896000      -0.12529735      -0.22687660       0.29835879
O        0.17492000       3.35298000      26.46049000       0.56334291       1.64610838      -0.06042798
O        2.90465000       4.76393000       0.54386000      -0.25237325       1.63875104      -0.05330713
O        2.88106000       1.83932000       9.98910000      -1.17453416      -0.28490951       1.87388331
O        0.09906000       3.51677000      19.52345000       2.57028425      -1.25666503      -0.81589164
O        0.10165000       1.57728000      16.92947000       0.50740475       1.01989430      -1.39599431
O        1.81667000       4.40499000      16.70480000      -0.06968089      -0.05795472       0.87959692
O       -1.24426000       4.53184000      16.88290000       0.06386603      -1.16010383      -1.59339691
O        2.90100000       3.29031000      26.62837000       1.89089636      -1.10758431       0.19839679
O        1.63894000       0.93370000      26.59591000       0.00981728       0.24526665      -0.44056288
O        4.36185000       0.91736000      26.55248000       0.99165746       1.62283275       1.40325458
O       -0.29164000       4.93818000       7.21133000       0.85820197      -0.27773048       0.83641654
O       -1.45396000       2.55206000       7.42453000      -1.76339003       0.23026606       0.09448039
O        1.02243000       2.51392000       7.47576000       1.11176933       0.11671760      -0.85403147
Zn      -2.89445000       5.04645000      27.22105000      -0.06395949       1.26491469       0.58810030
Zn       2.72613000       1.56293000       8.09332000       0.21009345       0.65191647      -0.48775396
Zn       0.22469000       3.44186000      17.53867000       0.52699563       0.02560099       0.41851611
Zn      -2.81292000       5.08381000      23.57394000      -0.69764323       0.62422643       0.33096685
Zn       2.87146000       1.53549000       4.47209000      -1.20215852       0.09897019       0.86488481
Zn       0.11084000       3.61962000      14.07544000       0.20801026      -1.19947850       0.24178238
Zn       5.84405000       0.08338000      13.24062000       0.06976982       0.66108524       0.31809681
Zn       3.29159000       1.71327000      22.77334000      -0.81718262       0.54646347       0.54503552
Zn      -0.43142000       3.23253000       4.02446000       0.89398438      -0.06561764      -1.22361170
Zn      -0.08858000       0.19775000       9.45656000      -1.93380543       0.42846915      -1.08066660
Zn       3.22167000       1.62392000      18.76503000      -0.30462002       0.61193028       0.13316939
Zn      -0.02205000       3.21210000      28.26177000      -0.08810283       0.70108270       2.78687475
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.31013498 magmom=71.9982286 free_energy=-552.31013498 stress="-0.04290667826976196 0.002612609069223537 0.003884305075486969 0.002612609069223537 -0.04621048977298871 -0.005641449770679365 0.003884305075486969 -0.005641449770679365 -0.03865885825313873" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.67246000       1.00655000      15.85654000      -0.75683952       0.90092591      -1.73185717
Cr       4.58888000       0.91609000      15.75155000       2.15772059      -1.46942573      -0.66913368
Cr       3.21643000       3.54364000      15.83205000      -0.26386899      -1.41151503      -2.54235593
Cr      -1.41576000       2.63982000      25.53404000       0.84738164       0.96595451      -1.63099813
Cr       1.62539000       2.53155000      25.33627000      -0.54794299       1.10046478       0.33717714
Cr       3.03893000       0.11086000      25.42625000       1.22232825       0.77024013      -0.02125175
Cr       1.28889000       4.06372000       6.28055000       1.21872985       0.78777117      -1.08994298
Cr      -1.70751000       4.10302000       6.24056000      -0.25085172       1.40373188      -1.14086955
Cr      -0.24482000       1.64835000       6.18461000       0.28489928      -1.14000483       0.34407279
Cr       0.28496000       0.03358000      18.06220000       0.18150192       0.61102873       2.47399889
Cr       2.99948000       1.71135000      27.90079000      -0.16859836       0.01245826      -1.96663453
Cr      -0.24521000       3.47258000       8.64950000      -0.01399933      -1.41299651       0.68489281
Cr       2.64178000       4.89822000       3.81747000       1.17808301      -1.15228532       1.11328211
Cr       2.93675000       1.78992000      13.50166000       1.22517733       0.97040989       1.03670598
Cr       0.07186000       3.46296000      23.00657000       1.27558038      -0.16881137       0.05014422
Cr       0.29697000       1.70182000      20.67092000       0.64342873       0.72724302      -2.19779391
Cr       1.64795000       4.31098000      20.59894000       1.17904718      -0.88538195      -0.68274296
Cr      -1.35361000       4.17961000      20.59120000       3.20423400       1.98063908      -0.70112676
Cr       2.96884000       3.09584000       1.55901000      -2.93420366       3.05241595       0.92056565
Cr       1.29791000       0.68194000       1.56514000       0.97610942      -0.71791780      -0.90474123
Cr       4.28671000       0.61759000       1.57806000      -1.49732897       0.28044570       0.70969513
Cr       2.64452000       0.30724000      11.10827000       2.35281314      -5.20767769       1.12061796
Cr       4.30907000       2.75047000      11.21775000       0.18509322      -0.09916527      -0.51375373
Cr       1.38629000       2.79172000      11.21211000      -1.80612344      -0.30344412      -0.36629571
O        1.64292000       0.91210000      19.40033000      -1.10745654      -1.65553727       0.15290000
O        4.95612000       0.75170000      19.40942000      -1.22394594       0.38686352      -0.41175414
O        3.26048000       3.51913000      19.45336000      -1.68367134       0.52181442      -1.60309511
O        4.38664000       2.42833000       0.48671000      -0.09011888      -0.81418851      -0.28307099
O        1.58516000       2.32041000       0.37815000      -0.85409953       0.08172533       0.90402020
O        2.84235000       0.18283000       0.35582000      -0.18460588      -2.71068779       0.09865251
O        1.10134000       4.11932000       9.78132000       1.51673594       2.64069759       0.96541592
O       -1.50222000       4.34373000      10.01197000      -1.20654362       0.19213327      -1.14022953
O       -0.10673000       1.96943000      10.10938000      -0.62378237       1.08151950      -0.44768081
O        1.56961000       1.06265000      12.45549000      -2.51744105       0.28789143      -0.71713923
O        4.13556000       1.07312000      12.16377000       1.36861030      -0.85072737       0.60575939
O        2.78839000       3.37931000      12.42611000       0.89626523       1.03790829      -1.33350998
O       -1.16181000       2.56267000      21.59221000      -0.54651673       0.03753928       2.11319601
O        1.52005000       2.73904000      21.83355000       0.37543894      -0.58269620       0.18458295
O        0.29424000       4.96424000      21.74556000      -1.70940238       1.03830284       0.59237105
O        1.30418000       4.06827000       2.69446000       0.19271257      -0.28753165      -0.18498404
O       -1.77176000       4.03954000       2.69857000       0.53589629       0.95353138       0.91800608
O       -0.12944000       1.23777000       2.61772000      -0.97073175       2.24487751       1.85589482
O        1.04390000       0.63447000       5.05293000       0.63488796       0.03140905       0.34312035
O        4.31199000       0.63162000       5.02969000       0.41049373      -0.37877857       1.14703232
O        2.73138000       3.28046000       5.15708000      -0.21301395       1.97889335       0.59529801
O       -1.34078000       2.46283000      14.69751000      -1.79926798       0.93070092      -0.82281412
O        1.76387000       2.68789000      14.75575000      -0.64218041       0.05948427       0.49873496
O        3.02684000       0.32752000      14.75361000       0.88860588      -1.62923121      -1.28475567
O        1.47737000       4.28830000      24.19981000      -0.95223686      -0.64550595       0.76329286
O       -1.23457000       4.32859000      24.35823000      -0.01839997      -1.13076426      -0.61497656
O        0.15623000       1.88670000      24.29886000      -1.37912234      -0.15372061      -0.56296076
O        0.30117000       0.03964000      21.63954000      -0.98289091      -0.64218976       0.71154963
O        2.72821000       1.49368000       2.58270000       1.04581093      -0.33774450      -0.04687335
O       -0.09444000       3.62050000      12.18007000      -0.40374141       0.30766439       0.28319194
O        2.78444000       5.04556000       7.27427000      -0.50360551       0.12248282       0.42478483
O        3.23587000       1.70476000      16.72060000      -0.94832314       1.77239264       3.15499614
O        0.20459000       3.55595000      26.34222000      -0.75093601      -1.24635405       1.40068678
O        2.70871000       4.96276000       0.64999000       2.40914396      -1.62571138      -3.12503889
O        2.74833000       1.84042000      10.19817000       0.74563179       2.38055934      -3.06553364
O        0.19487000       3.44667000      19.48107000       0.23530909      -0.12453592       0.38757112
O        0.18047000       1.69840000      16.78889000      -0.58130221      -1.85031009       1.29454847
O        1.85052000       4.38682000      16.82999000      -0.22817125       0.44496785       1.34826771
O       -1.27403000       4.46043000      16.74961000      -0.35319151      -0.68172289       1.84063094
O        2.87043000       3.25785000      26.61946000       1.69131480       0.52530121      -0.45052824
O        1.66074000       0.98211000      26.64102000       0.58018049       0.04386974      -1.56731905
O        4.35948000       1.14029000      26.63538000       0.86201765      -2.12661034      -0.32828174
O       -0.12321000       4.88398000       7.20839000      -1.48987886       0.31046580       1.53446082
O        4.30068000       2.55904000       7.31129000       0.40830939      -0.82801803       1.55429361
O        1.17846000       2.54920000       7.51214000      -1.70576428      -0.07859266      -0.95693667
Zn      -2.78180000       5.08498000      27.13466000      -1.49740940       0.20682339       1.16756567
Zn       2.66266000       1.52406000       8.07760000       0.91048953       0.53998475       0.44212900
Zn       0.23949000       3.41404000      17.43918000       0.15854465       1.21430852       1.49310524
Zn      -2.81028000       5.06842000      23.60684000      -0.10461247       0.97608641      -0.41054235
Zn       2.73975000       1.57384000       4.47059000      -0.85925640      -1.24813691       0.05351657
Zn       0.00988000       3.60277000      14.18003000       1.32513508       0.01172310      -0.84872859
Zn       5.76795000       0.04416000      13.23963000       0.23953744       0.78977413       0.59938006
Zn       3.33248000       1.72708000      22.74367000      -1.00717459      -0.27188143       0.09536180
Zn      -0.48376000       3.23987000       3.94108000       1.32593597       0.02391793      -0.89412388
Zn       5.66855000       0.28526000       9.38654000      -0.26093258      -2.24557188      -0.73885063
Zn       3.24422000       1.67861000      18.82008000       0.88648304      -0.02814951      -0.32721669
Zn       0.06398000       3.23048000      28.35394000      -0.13613356       1.40418137       0.01097224
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.41212475 magmom=71.9983099 free_energy=-551.41212475 stress="-0.03916837189189873 -0.00740033008600496 -0.009385717051901199 -0.00740033008600496 -0.036911930583826934 -0.005210911969138129 -0.009385717051901199 -0.005210911969138129 -0.033199716397958816" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.63953000       0.93439000      15.85674000       1.10776376      -0.31856585      -0.61186499
Cr       4.70557000       0.88591000      15.92703000      -3.72488487      -0.76321022      -2.14475314
Cr       3.12925000       3.46789000      15.91036000      -0.54710795      -0.48683386      -0.27070842
Cr      -1.49050000       2.59936000      25.38914000       3.52656707       0.20547189      -0.69602624
Cr       1.58896000       2.52962000      25.22298000      -0.04448586       0.88166112       2.17914007
Cr       3.04916000       0.12617000      25.37163000       2.31695765      -1.69255367      -0.69016121
Cr       1.41034000       4.16139000       6.34489000      -3.80394111       0.35960165       0.03751034
Cr      -1.59986000       4.09368000       6.17939000       0.08107769      -0.10281727       1.85925729
Cr      -0.20725000       1.55754000       6.22844000      -1.86028840       1.83278155       0.99980418
Cr       0.27821000       0.11749000      18.24348000       0.80843974      -1.58071966       1.04291927
Cr       3.08038000       1.74240000      27.88303000      -0.41038139      -0.80578099      -3.07288349
Cr      -0.29104000       3.38500000       8.71056000       0.39154160      -0.06568474       0.59952371
Cr       2.68365000       4.76852000       3.86421000      -1.39830993       2.98165087       0.25563068
Cr       2.95359000       1.73524000      13.46232000      -0.46855721       1.58138090      -0.35449807
Cr       0.19142000       3.43593000      22.95023000      -0.01513809      -0.37606951       0.55288278
Cr       0.29285000       1.71345000      20.62861000      -0.71582554       0.09413528       1.17812994
Cr       1.67709000       4.20098000      20.54023000       1.78851591       1.32496664       0.88183468
Cr      -1.28440000       4.23833000      20.66117000       0.80123769      -0.07329368      -0.95691020
Cr       2.89266000       3.19809000       1.54121000      -0.22601149       0.91323995       0.31576353
Cr       1.25440000       0.66857000       1.50429000       0.03464412       1.38593656      -0.52560817
Cr       4.19753000       0.53393000       1.46384000       1.88777865       0.49906009       1.65295176
Cr       2.72254000       0.35963000      11.10476000      -0.48907124      -2.03981880      -1.02991017
Cr      -1.48998000       2.81392000      11.19156000      -2.67410082      -0.88010309      -0.65281360
Cr       1.38449000       2.93461000      11.10775000      -0.67046537      -1.68975113       0.71162823
O        1.58010000       0.87039000      19.52250000       1.10191817      -1.19593496      -0.78304766
O        4.84875000       0.76115000      19.49049000      -0.09282296       0.40145794      -0.27760089
O        3.25716000       3.53886000      19.46765000      -0.37962140       1.16314571      -0.29336613
O        4.41474000       2.35765000       0.54177000      -0.82382038      -0.36543660      -0.00489723
O        1.62251000       2.42234000       0.41757000      -0.16834499      -2.10429166      -0.83033942
O       -0.14743000       5.05423000       0.26294000      -0.91495796       2.84684092       0.74104484
O        1.20431000       4.33313000       9.76080000      -2.97959987      -0.62896731       1.15128986
O       -1.54896000       4.38018000      10.01228000       0.51067599       0.57459159      -0.74677022
O       -0.09633000       1.97754000      10.20131000       0.27778713       0.24971964      -2.66752510
O        1.31975000       1.13692000      12.40158000       2.23197814       0.20258480      -0.46729860
O        4.32356000       1.01324000      12.00479000      -1.23463944       0.09879429       2.32011788
O        2.84591000       3.43542000      12.23530000       0.60322108       0.09112340       1.65423017
O       -1.10539000       2.60844000      21.85779000      -0.74471725      -0.33447876      -1.72173465
O        1.57414000       2.73604000      21.76710000       0.79099199      -1.72543363       0.32723517
O        0.20981000       4.90293000      21.62830000       0.50759054       1.52078964       1.38592550
O        1.30863000       3.85019000       2.70393000       0.59545324       1.37860471      -0.29893328
O       -1.83926000       4.24591000       2.64719000       1.40353369      -1.29030604       0.88721933
O       -0.32896000       1.26575000       2.77694000       0.48424892       0.20563278      -1.05502347
O        1.06332000       0.64914000       5.20227000       1.06717256      -0.72917500      -1.65668547
O        4.34310000       0.67818000       5.16256000      -0.87713856      -0.73685485      -0.75557629
O        2.73901000       3.46004000       5.24316000       0.67860687      -2.61239642      -1.14614522
O        4.39349000       2.43832000      14.76365000      -0.06924917       0.29558641      -0.53454985
O        1.69827000       2.70870000      14.81718000      -0.04848154      -1.27424500      -0.14552579
O        3.07400000       0.22976000      14.70453000       0.54943213       1.00583828       0.76861503
O        1.48571000       4.06032000      24.17142000       1.09181193       2.80978100       0.27002216
O       -1.08325000       4.20100000      24.21072000      -2.11786621       0.87433377       0.03679926
O        0.00014000       1.86119000      24.34410000       0.56985347      -0.82034467      -1.39143110
O        0.29713000       0.02155000      21.68676000      -0.83961934      -0.15225578      -0.12512805
O        2.76096000       1.47926000       2.42939000       0.30660834      -0.35089106       2.17075017
O       -0.12060000       3.52246000      12.22213000       0.88204026       2.30346700       0.74639358
O        2.69536000       5.04682000       7.32181000       1.85439418       0.43432542       0.83799762
O        3.09624000       1.80133000      17.06046000       0.05176822      -0.50148912      -3.03125401
O        0.10837000       3.59400000      26.40081000       0.02723641      -1.36199974       0.10224280
O        2.84141000       4.97785000       0.34881000      -0.48025637      -0.70522212       1.81393076
O        2.73421000       2.08084000      10.03608000       0.98879745      -1.65299372      -0.33752891
O        0.38174000       3.31987000      19.50973000      -2.05828078       0.22974254      -1.09021009
O        0.18599000       1.56677000      16.86755000       1.09484166       1.17453117       2.26986566
O        1.85643000       4.43154000      17.14186000       0.30564169      -0.01097241      -1.37997854
O       -1.32094000       4.26805000      16.83001000      -0.45619329       1.85774188       0.87717613
O        3.13434000       3.25996000      26.52471000      -1.91800318       0.86686953       0.75926255
O        1.80932000       1.06164000      26.38784000      -1.26018200      -0.83350637       1.96005916
O        4.50834000       1.07868000      26.64170000      -1.12350854      -0.53764005      -0.77980827
O       -0.18216000       4.78696000       7.43324000      -0.40763118       1.15005155      -1.16866208
O        4.24908000       2.50331000       7.39857000       0.95528744       0.10195092       0.01035821
O        1.02281000       2.57745000       7.33902000       0.94341822      -1.21896981       1.30430010
Zn       0.22083000       0.03832000      27.09624000      -0.09085411       0.11733030      -0.64637577
Zn       2.63443000       1.51875000       8.08253000      -0.00678994       0.86171290       0.27844738
Zn       0.26699000       3.43664000      17.41193000       0.12360932      -0.17271581       1.65262769
Zn      -2.82224000       5.10243000      23.62620000       0.31056018       0.06966754       0.04549501
Zn       2.55563000       1.56439000       4.49853000       1.39386747       0.05028867      -0.53081285
Zn      -0.03629000       3.56595000      14.24632000       0.36294633      -1.35356909      -1.23579873
Zn       5.69702000       0.04569000      13.27443000       0.61115396       0.39008986      -0.21918164
Zn       3.31672000       1.73342000      22.73296000      -1.16723326      -0.36848378       0.25021019
Zn      -0.46508000       3.24230000       3.82170000       1.06027700      -0.53370818      -0.53877827
Zn       5.49988000       0.28699000       9.26955000       2.47435556       0.55762600       0.17839365
Zn       3.30250000       1.73359000      18.87885000      -0.49676230      -0.43379934       1.46586647
Zn       0.13881000       3.32185000      28.45777000      -1.15046012      -1.06282291      -1.66674753
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.97508411 magmom=72.0032417 free_energy=-550.97508411 stress="-0.024936549604656424 -0.002185103686166583 0.0003503383351828773 -0.002185103686166583 -0.046315415445862436 0.01108601086135634 0.0003503383351828773 0.01108601086135634 -0.03416289181193375" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64162000       0.83181000      15.86882000      -0.71853670       0.27278081       0.87079189
Cr       4.66770000       0.82624000      16.01323000      -0.99738519       2.48292268      -1.45141169
Cr       3.02088000       3.39495000      15.98427000       0.56324859       1.61173036      -0.85528528
Cr      -1.39368000       2.58100000      25.24654000      -0.59141967       0.30975383       0.95318803
Cr       1.55561000       2.57923000      25.25649000       0.90588924      -0.28132426       1.61136953
Cr       3.16581000       0.05919000      25.31677000      -1.58788461      -0.94791089      -0.47222631
Cr       1.34536000       4.25085000       6.40946000      -0.99885629      -2.66284148       0.26384192
Cr      -1.50259000       4.07337000       6.21295000      -1.89618782      -1.04628201       0.38193215
Cr      -0.26379000       1.56003000       6.31175000       0.69071562       0.21179373      -1.56025023
Cr       0.30018000       0.11917000      18.44488000      -0.07281840      -0.31198564      -4.04129719
Cr       3.15208000       1.72754000      27.78282000      -1.89274111      -0.44261732      -2.53583920
Cr      -0.31371000       3.33440000       8.76359000       0.23659941       4.08214773      -3.65152896
Cr       2.66221000       4.80476000       3.91677000       0.49812854       1.75981895       0.13403029
Cr       2.93812000       1.77686000      13.41815000      -0.57099063       1.06265359       1.23478891
Cr       0.30920000       3.40019000      22.92186000      -1.42446461       0.38656536       0.14339057
Cr       0.26182000       1.70643000      20.60325000      -0.26677902      -0.64466947       1.77218851
Cr       1.79079000       4.15583000      20.51274000      -2.71873718       1.05890482       2.70196948
Cr      -1.17123000       4.30372000      20.66618000      -0.60238316      -1.89156182       0.84797129
Cr       2.80263000       3.28878000       1.47907000       2.32947435      -2.77267954       1.91646365
Cr       1.22834000       0.71486000       1.43274000       0.23662838      -0.00540619       3.67457027
Cr       4.17484000       0.52967000       1.41754000       1.29207457       0.78812962       3.37975741
Cr       2.77372000       0.27498000      11.06276000      -2.27482062       2.24375396       1.44128088
Cr      -1.51481000       2.83430000      11.14098000      -0.66827645      -0.62123224      -0.07434037
Cr       1.35305000       2.96826000      11.05440000       1.73511373      -2.55423482       1.68960741
O        1.69486000       0.67731000      19.57221000       0.64741172       2.75881097      -0.52247593
O        4.76497000       0.80964000      19.54816000       0.68742922      -0.62318737       0.43176262
O        3.18709000       3.68159000      19.43159000       1.64646872      -3.04562421       0.46695673
O        4.32852000       2.24834000       0.57436000       0.49852248       1.38184968      -1.21856603
O        1.60115000       2.20813000       0.33509000      -0.58479297       2.45330248      -0.98267705
O        2.61501000       0.10898000       0.29485000       2.07184945      -1.72055860      -1.23775645
O        0.88754000       4.47534000       9.95467000       3.95469544      -1.04313106      -2.90376284
O       -1.50352000       4.45559000       9.91150000      -1.17290597      -0.57960671       0.57276995
O       -0.07478000       2.06177000       9.95025000       0.00642627      -2.75828528       2.95037486
O        1.50884000       1.26132000      12.22650000      -0.59571766      -0.11298775      -0.15168936
O        4.24045000       1.02835000      12.23683000       0.62171860       0.67194655      -0.82967534
O        2.98093000       3.45568000      12.26416000      -1.34196880       0.48818020       0.46609656
O       -1.09922000       2.65201000      21.82077000       0.17374293      -0.43817257      -1.08583549
O        1.67827000       2.49621000      21.72907000      -0.33366624       1.20080932      -0.03607546
O        0.18232000       5.04480000      21.79973000       1.49177683      -0.89690086      -0.12844091
O        1.47041000       3.95731000       2.64078000      -1.89764642       0.40612867      -0.31988522
O       -1.74455000       4.29812000       2.73831000      -0.63065110      -1.04995426      -1.04651649
O       -0.41995000       1.29111000       2.76364000       1.36268465       0.10256996      -0.96730245
O        1.13102000       0.49174000       5.14459000      -1.43374654       0.73874683       0.04203417
O        4.29313000       0.57877000       5.20508000      -0.14421481       0.64773365      -0.54311008
O        2.82200000       3.32854000       5.20948000      -0.61578149       0.14619311       0.47216380
O        4.18759000       2.45722000      14.76463000       2.84891178       0.87006741       0.11890248
O        1.65269000       2.48242000      14.85608000      -1.02083769       1.02016381      -0.75613947
O        3.20619000       0.29552000      14.76918000      -0.88245686      -2.04936761      -0.06574706
O        1.56031000       4.22545000      24.22622000      -0.90199572      -0.49108286       0.04061839
O       -1.21273000       4.17339000      24.08577000       1.29313481       0.17335618       0.78857936
O       -0.02435000       1.79469000      24.16107000       1.84373796       1.52930788       0.22051055
O       -2.78704000       5.06652000      21.63714000       0.72590834       0.21469992       0.01132582
O        2.85100000       1.42289000       2.58353000      -1.21986398       0.73488230      -1.03491132
O       -0.06255000       3.76986000      12.24951000      -0.35096113      -0.96131753      -0.62879226
O        2.85288000       5.07667000       7.38957000      -0.38849389      -1.03732372      -0.88419981
O        2.98287000       1.80445000      16.93350000       1.17429510      -1.70559703       1.76428172
O        0.02986000       3.39001000      26.41337000       0.85357653       0.29811319      -0.54113899
O        2.91614000       4.84126000       0.36666000      -1.67780744       0.88676678      -0.49982491
O        2.88211000       2.09097000       9.87960000      -0.26315369      -0.31821030       2.29314563
O        0.26598000       3.28587000      19.48952000       0.00543895       1.26570679       0.62825772
O        0.26706000       1.58570000      17.22331000      -0.55248912      -0.03145535      -2.23220711
O        1.89961000       4.47248000      17.18025000      -0.86875144      -0.76927656      -0.06041142
O       -1.45438000       4.38269000      17.04712000       0.82327988      -0.78818611      -0.31935539
O        3.12223000       3.32645000      26.46580000      -0.54398157      -0.92753286      -0.24686364
O        1.79570000       1.00509000      26.35686000       0.16200049      -0.04695813       0.39102459
O        4.43751000       0.92413000      26.45506000       0.40879825       0.73777400       0.46392711
O       -0.32287000       4.83181000       7.47000000       1.97254019       0.71707362      -0.47720124
O        4.41368000       2.48465000       7.47408000      -1.31144794      -0.30264110      -0.35955764
O        1.01068000       2.46879000       7.38315000       1.28008176       1.16458752       0.92527666
Zn       0.25822000       0.10563000      27.03850000      -0.46230292      -0.55750108       0.12985883
Zn       2.61105000       1.55627000       8.09167000       0.15371226       0.47163114      -0.62606337
Zn       0.29469000       3.46055000      17.46936000      -0.83244250       0.39993637       0.92431637
Zn       0.13816000       0.02862000      23.63960000       0.90524867      -0.62340398      -1.25378759
Zn       2.45368000       1.56061000       4.49164000       1.85123733       0.36182968      -0.56890470
Zn      -0.05202000       3.47667000      14.25090000       0.12146629      -0.14756407      -0.41418660
Zn       5.66247000       0.07265000      13.31090000       0.84709566       0.27696044      -0.05531411
Zn       3.24277000       1.72029000      22.74602000      -0.08598559      -0.11770762       0.29990639
Zn      -0.39076000       3.21742000       3.68893000       0.48513152      -0.57281049       0.05638047
Zn       5.43714000       0.28448000       9.17236000       0.82752445      -0.55220862       1.79996315
Zn       3.32769000       1.77475000      18.97656000      -1.65268618       0.41840453      -0.88367534
Zn       0.15435000       3.37557000      28.48376000      -1.18468784      -0.35718904      -0.75134583
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.96839357 magmom=71.997185 free_energy=-550.96839357 stress="-0.04754305343187792 0.0006664118463212068 0.012867787478827254 0.0006664118463212068 -0.05328280841307855 0.003362525810238062 0.012867787478827254 0.003362525810238062 -0.03973366856284114" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60299000       0.74495000      15.94581000      -0.36289898       0.64246987      -0.59354018
Cr       4.56361000       0.88642000      16.01834000       1.20774390       0.30539596      -1.51277882
Cr       2.95970000       3.39077000      16.02300000       1.32147357      -0.15442565      -0.97024504
Cr      -1.32009000       2.56728000      25.17515000      -1.21978356      -0.94027123      -0.11035841
Cr       1.58831000       2.60205000      25.39822000       0.85949893      -0.91829031      -2.70241488
Cr       0.22827000       5.06047000      25.26342000      -2.61574914       1.51950035       0.78956782
Cr       1.21531000       4.19131000       6.46885000       3.96918613      -1.56138136      -2.89369747
Cr      -1.52160000       4.00294000       6.26969000      -2.65182192       0.80090924      -1.44063773
Cr      -0.28279000       1.58018000       6.31880000       1.72395904      -1.25095259      -0.89952186
Cr       0.31274000       0.10518000      18.53743000       0.49824102      -1.06019461      -4.47333947
Cr       3.12807000       1.67727000      27.59893000      -1.10115472       0.16253604       1.64778046
Cr      -0.30734000       3.47010000       8.67456000       1.17749221      -0.53844179       2.60314625
Cr       2.64533000       4.94699000       3.94337000      -0.35045372      -2.28153236      -1.52166412
Cr       2.88770000       1.89401000      13.45990000       0.71032546      -0.46272037       1.92234699
Cr       0.34269000       3.39223000      22.89201000      -0.72153593       0.44618641      -0.16502474
Cr       0.22747000       1.63008000      20.60733000       1.86209326       2.38907695       1.18963920
Cr       1.79976000       4.18557000      20.58956000      -1.68834711      -1.07111260       1.10430558
Cr      -1.11412000       4.29751000      20.66973000      -0.32332710       0.50879554       0.75528759
Cr       2.83620000       3.20932000       1.47872000      -0.18230554       0.30416118      -0.35729631
Cr       1.23073000       0.75946000       1.51667000       0.85241705      -1.46652302      -2.07159464
Cr       4.20619000       0.62229000       1.50043000      -0.15322183       1.21554120      -1.39701265
Cr       2.72969000       0.28211000      11.05925000       2.13789894      -0.87159279      -0.94010281
Cr      -1.59755000       2.82240000      11.10376000       2.04967280      -0.02569831       1.79249622
Cr       1.41497000       2.85779000      11.09476000      -0.89151588       1.69013182      -1.00411013
O        1.87297000       0.84461000      19.57047000      -3.61296002      -1.53175311       0.46034181
O        4.77535000       0.74774000      19.64870000      -0.34246027       0.00506716      -1.45202926
O        3.34864000       3.48412000      19.52514000      -0.47620211       3.78998199       0.66669193
O        4.33275000       2.36855000       0.40291000      -0.48807275      -0.02964478      -0.08726397
O        1.52041000       2.28355000       0.14275000       1.20569633      -0.27734656       1.32935515
O        2.72390000       0.14249000       0.21580000       0.57800268      -0.75562503       0.50380562
O        1.07161000       4.39415000       9.77249000      -0.92694087      -0.58937755       0.67123960
O       -1.57233000       4.38580000       9.91937000      -0.05065903       0.39146711      -0.57607318
O       -0.08468000       1.91724000      10.04723000      -0.47175599       1.67567028      -0.60730675
O        1.65839000       1.35556000      12.08388000      -2.58556541      -1.90398702       3.21231220
O        4.20352000       1.18561000      12.31828000       1.13147662      -0.64972996      -0.93592446
O        2.89775000       3.50023000      12.35365000      -0.30234423       0.84771328      -0.40780096
O       -1.02127000       2.63029000      21.59794000      -1.10342067      -0.40047319       2.49090019
O        1.65548000       2.51895000      21.68406000       0.39807901       0.35607371       0.56959641
O        0.41831000       4.96858000      21.91569000      -0.53039761       0.98145792      -2.03506458
O        1.40519000       4.17757000       2.54480000      -0.87104906      -1.98325677       1.49691605
O       -1.80800000       4.16107000       2.65265000       0.17056276       0.26187953       0.61840989
O       -0.24026000       1.29371000       2.58704000      -0.11624691       1.65131767       1.97821583
O        0.96907000       0.44511000       5.13534000       2.23245767       2.21205472       0.41044703
O        4.24886000       0.54865000       5.18474000      -0.17870322       1.02192515       0.03938724
O        2.80933000       3.25381000       5.27816000      -0.84888142       0.96535212      -0.26915432
O        4.36060000       2.58348000      14.81758000      -2.45167022      -1.52450055       0.81054339
O        1.50920000       2.38242000      14.79503000       1.15944960       0.67842179       0.62276524
O        3.16738000       0.10000000      14.86029000      -0.62472560       0.69575544      -0.65675400
O        1.52596000       4.29615000      24.25750000       1.98834954      -1.65403102      -1.15607237
O       -1.12051000       4.17083000      24.13387000      -0.40458025       0.58759381      -0.64662584
O        0.28288000       1.97256000      24.06153000      -0.85044880      -2.84535865       1.51042331
O       -2.73587000       5.04824000      21.57386000       1.26110826       0.31582853       1.80111234
O        2.72713000       1.49342000       2.52275000       0.08957370       0.50267817       0.40053914
O       -0.05984000       3.82614000      12.11234000      -0.33098586      -2.10357321       0.83846649
O        2.93620000       4.95669000       7.27126000      -1.41368740       0.38451536       0.88074131
O        3.07520000       1.58307000      16.93721000      -0.44966495       1.38271280       1.35083369
O        0.09789000       3.25514000      26.28116000      -0.60174198       1.67672060       1.75525503
O        2.71449000       4.88794000       0.47430000       0.89565427       0.70296698      -1.34967239
O        2.95334000       1.97720000      10.13159000      -1.54140616      -0.24370920      -2.79316767
O        0.16149000       3.45407000      19.62069000       2.30368276      -1.06215758      -1.37707272
O        0.25718000       1.56823000      17.16789000      -0.83387316       0.11892543      -0.22109821
O        1.82011000       4.42521000      17.12230000       0.09493724       0.40724863       1.04764797
O       -1.49058000       4.38005000      17.16333000       0.32213845      -1.36408191      -0.50702159
O        3.00307000       3.23737000      26.37311000       2.49628584       1.26136997       1.01337344
O        1.81441000       0.94351000      26.37638000      -0.08930258      -0.54977663      -0.73227265
O        4.41219000       0.92902000      26.32243000       1.56324360       0.21129455       0.75384650
O       -0.17300000       4.95011000       7.34873000      -1.71335086       0.59624516       1.14272130
O        4.41686000       2.47130000       7.46256000      -1.15947103      -0.02628467       0.54783031
O        1.13090000       2.59076000       7.56860000      -1.56511110      -0.14683018      -0.97967898
Zn       0.26479000       0.13739000      26.98144000      -1.53904202      -1.20106198       1.15757515
Zn       2.60822000       1.62219000       8.08843000       1.28438740       0.35286299       1.08807883
Zn       0.27572000       3.49783000      17.58517000      -1.39393467      -0.52132529       0.85736058
Zn       0.19073000       0.03938000      23.59648000       0.32906356       0.09871201      -0.56920155
Zn       2.45342000       1.56993000       4.45319000       0.70730755      -0.51221182       0.25400867
Zn      -0.05172000       3.38208000      14.22393000       1.46708307       1.29588977      -1.55056738
Zn       5.67162000       0.11616000      13.35562000      -0.00267863       0.26946128       0.17264737
Zn       3.15888000       1.70115000      22.78412000       0.37891650      -0.00575503       0.01358980
Zn      -0.28940000       3.16358000       3.56527000       0.15019003       0.32795586      -0.06354685
Zn       5.44111000       0.25740000       9.15455000       2.00246770      -0.02952930       0.41904180
Zn       3.28268000       1.81513000      19.03229000       0.93995800      -1.85432824      -1.95259184
Zn       0.10180000       3.39778000      28.45990000      -1.38662417       0.35702190      -0.71128991
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.60028354 magmom=68.0000241 free_energy=-549.60028354 stress="-0.04515675486755923 0.003328279848034093 0.005855979345969496 0.003328279848034093 -0.03229653093063035 -0.009861216282204285 0.005855979345969496 -0.009861216282204285 -0.044386477468689324" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53485000       0.69334000      16.01931000       0.71482902       0.96049338      -1.03772249
Cr       4.51506000       0.95237000      15.95004000       0.08485410      -3.35553305       0.87587095
Cr       2.96432000       3.40225000      16.02980000      -1.12826128       0.17038308       1.28518193
Cr      -1.31941000       2.50544000      25.13975000       1.36523697       0.51661562       0.07079500
Cr       1.69940000       2.57128000      25.45347000      -0.44571721       1.08065917      -2.79178737
Cr       0.13188000       5.03996000      25.26073000       3.66159512       0.03963534      -1.20661438
Cr       1.25119000       4.06387000       6.37130000      -1.40804765       2.42856642      -1.25364970
Cr      -1.69892000       3.97342000       6.25153000       0.94206440       2.20450565      -0.00140395
Cr      -0.22382000       1.55037000       6.28496000      -1.19702910       1.25842333       1.11186726
Cr       0.33065000       0.06396000      18.51220000      -2.81733428      -1.25374238      -5.36566982
Cr       3.03652000       1.64222000      27.49403000       1.80733453       0.26271371       2.95461935
Cr      -0.24955000       3.60091000       8.70337000      -2.02834978      -2.41572468      -0.19402234
Cr       2.62546000       4.98667000       3.90710000       0.35345339      -0.87118247       0.32360052
Cr       2.87120000       1.99235000      13.59193000       0.68574966      -2.74807908      -2.10439229
Cr       0.32424000       3.39548000      22.87357000       0.17202751      -0.49037507       1.88541169
Cr       0.27446000       1.60646000      20.59479000      -1.96505054       3.68697164       3.75372684
Cr       1.77741000       4.20784000      20.67855000       2.90500396       0.79936275      -0.49852433
Cr      -1.08871000       4.30427000      20.67907000       1.75974892      -0.25375826       1.57087358
Cr       2.86936000       3.13957000       1.43666000      -1.85608883       4.25391612      -1.17117446
Cr       1.26723000       0.71187000       1.51276000       0.01987035      -0.77699893      -2.36737234
Cr       4.24204000       0.77503000       1.51478000       0.61047253      -0.68925705      -0.68451358
Cr       2.74647000       0.26221000      11.06765000       0.34515853      -1.62585311       1.44741274
Cr      -1.59864000       2.80154000      11.14199000      -0.67087989      -0.03892140      -0.45807001
Cr       1.42562000       2.78602000      11.11461000      -1.99194008      -0.59008757      -0.06865998
O        1.57680000       0.88058000      19.60628000       3.69298116      -0.59169795      -1.23686384
O        4.72941000       0.71967000      19.56177000       0.95147503       0.58929034       0.25357447
O        3.40925000       3.68619000      19.69324000      -1.76303326      -2.65198442      -1.81313141
O        4.24258000       2.49862000       0.21425000       0.13241930      -1.01557820       1.11944868
O        1.64380000       2.35263000       0.16594000      -1.29357733      -0.74069621      -0.14002894
O        2.98452000       0.10804000       0.20686000      -1.51444507       0.92100767       0.52061224
O        1.21825000       4.12710000       9.65347000       0.69587750       2.31123517       2.59576593
O       -1.60387000       4.34827000       9.90076000       0.35949455       1.41089242       0.49161863
O       -0.17482000       2.06005000      10.08502000       0.31283451      -0.98825758      -1.72104622
O        1.44791000       1.16768000      12.38528000       1.06773713       0.08206398      -0.52645667
O        4.30276000       1.24577000      12.22368000      -1.49825382      -1.39825416       1.22010535
O        2.75217000       3.57993000      12.35862000       0.69348983      -0.60828533       0.13584435
O       -1.03243000       2.58104000      21.75273000      -0.64865033       0.18561494      -0.14496829
O        1.63156000       2.63982000      21.74170000       1.29940855      -2.14485673       0.06882010
O        0.50312000       4.96112000      21.71440000      -2.58679025       1.72985124       1.85815650
O        1.22339000       4.18154000       2.64512000       1.63549370       0.82291829      -0.57255384
O       -1.90860000       4.10480000       2.62714000       1.00349821       1.04386598       0.79111009
O       -0.07863000       1.46083000       2.68787000      -1.27092235      -1.74484265      -0.76459054
O        1.07331000       0.71509000       5.16108000      -0.79910470      -2.00685270      -0.36036545
O        4.26547000       0.67638000       5.16584000       0.10004703      -0.20003087      -0.59766824
O        2.65541000       3.40263000       5.28460000       0.23706996      -1.07905418      -2.42149814
O        4.20565000       2.49577000      14.95821000       1.63992795       1.29609146      -2.51850516
O        1.59419000       2.41960000      14.87878000      -0.95094948       0.71748303       1.19184737
O        2.99287000       0.05632000      14.87454000       0.34597265       0.77688103      -0.57521696
O        1.67976000       4.06485000      24.16129000      -0.22990073       1.21950715       0.68290470
O       -1.04061000       4.18338000      24.08915000      -1.08583160      -0.62178916      -0.47805530
O        0.43952000       1.82948000      24.19952000      -1.81572657       0.35692866      -0.30679805
O        0.47510000       0.01047000      21.73320000      -1.16664538       0.02084457      -1.61131691
O        2.64024000       1.61983000       2.46646000       1.44507004      -1.32452153       1.53425627
O       -0.10921000       3.53877000      12.06644000       0.41571046       1.75772618       1.63318850
O        2.76140000       4.89858000       7.24690000       0.15740971       0.90378488       0.96665456
O        3.10389000       1.57347000      17.13028000      -1.31602629       0.84213983      -1.25427155
O        0.12357000       3.39928000      26.31570000       0.14557275      -0.27168907       0.43106824
O        2.66032000       5.10449000       0.38347000       1.81283017      -0.73044952       0.34672905
O        2.80148000       1.85838000      10.04252000       0.33647623       0.49233119       0.36563680
O        0.39423000       3.46514000      19.62622000      -1.13979415      -1.25685971      -0.29538824
O        0.09879000       1.52268000      17.00845000       0.75117267       0.96453360       1.59004266
O        1.80075000       4.44397000      17.18553000      -0.07383418      -0.23962928      -0.12262576
O       -1.51387000       4.16048000      17.12535000       0.18206746       1.12597955       0.26391823
O        3.26931000       3.31162000      26.38201000      -0.75255990      -0.62208589       0.10631361
O        1.80908000       0.81276000      26.24953000      -0.98762761       0.66391963       1.58344121
O        4.60348000       0.99493000      26.31037000      -2.39461885      -0.54183297       0.05329731
O       -0.21300000       5.02468000       7.35130000      -0.63761228      -0.94856370      -0.34012241
O        4.28526000       2.50105000       7.46945000       0.97952656       0.15947784      -0.19984635
O        0.97755000       2.65865000       7.56269000       0.89384859      -2.38114544      -0.76905309
Zn       0.19519000       0.10248000      26.98853000      -0.26905863      -0.98465797       1.20215582
Zn       2.66076000       1.71482000       8.13058000      -0.43250904       0.01547642      -0.35399142
Zn       0.19045000       3.51081000      17.74375000       0.32093269      -0.66261129      -0.94304054
Zn       0.26430000       0.04862000      23.52885000      -0.51486311      -0.48852715       1.67096955
Zn       2.50464000       1.56080000       4.42694000       2.03660264       0.64442651       0.21108605
Zn       0.00043000       3.33661000      14.12564000      -0.19079745       0.43113874      -0.33354478
Zn       5.68973000       0.17956000      13.41816000       0.40229856       0.31642408      -0.42243389
Zn       3.09572000       1.68380000      22.83604000       0.65480181       0.12620328      -0.25897860
Zn      -0.17847000       3.12860000       3.45519000      -0.77468710       1.89159592       1.73912560
Zn       5.54950000       0.23363000       9.16721000       1.13069780       0.44841635       0.82139111
Zn       3.25902000       1.79016000      19.00611000      -0.17353132       0.49770285       0.37711399
Zn      -0.01529000       3.41515000      28.39506000       0.52990524      -1.07373232      -0.81961923
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.48517449 magmom=72.0022471 free_energy=-552.48568135 stress="-0.029926148420552464 -0.005234537298273877 -0.010291840160397877 -0.005234537298273877 -0.02684731890453011 0.0006298756247585859 -0.010291840160397877 0.0006298756247585859 -0.04044905791200521" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48845000       0.70646000      16.07623000       0.69820149       2.58281695      -2.04339966
Cr       4.48913000       0.85642000      15.91808000      -0.96985688       0.74368010      -0.10282840
Cr       2.93493000       3.41822000      16.10232000       0.55491958      -0.89278043      -1.82928972
Cr      -1.27638000       2.45992000      25.14493000       0.41953093       1.45336574       0.72932274
Cr       1.83295000       2.54142000      25.42244000      -2.38708673       0.60062774      -2.01053935
Cr       0.20220000       5.07019000      25.25082000      -0.11112065      -0.64179882      -1.36468062
Cr       1.22808000       4.05534000       6.19547000      -2.68917376       1.19237743       0.53238863
Cr      -1.84428000       4.06859000       6.22402000       1.34647175       1.33662898      -0.27951457
Cr      -0.23290000       1.57524000       6.29698000      -1.85747217       0.07319422      -1.07289699
Cr       0.23189000       0.01002000      18.30566000       0.23704105       0.53584605       1.71633936
Cr       2.99777000       1.65317000      27.47173000       0.58009864      -0.29884018       4.07782905
Cr      -0.26326000       3.59654000       8.73923000       0.55156422      -0.92327929      -1.79051081
Cr       2.63046000       4.96928000       3.87071000       1.60946293       1.13563324      -0.22264651
Cr       2.87216000       1.93230000      13.61885000      -1.30776479      -1.78854426      -0.07283162
Cr       0.31097000       3.36276000      22.96809000       1.10885875      -0.31984049      -0.17240240
Cr       0.26522000       1.70895000      20.66032000       1.38018384      -0.25809689       0.45382208
Cr       1.89099000       4.27067000      20.71892000      -0.94542164      -0.34559599       0.33810555
Cr      -1.04199000       4.30554000      20.70805000      -1.50101135      -0.91051536      -1.92787482
Cr       2.80107000       3.29089000       1.34996000      -0.95141758       0.89469498       2.20249192
Cr       1.33250000       0.62928000       1.38799000       2.41826046       2.41497634       2.60184827
Cr       4.31285000       0.87828000       1.46974000       0.06221693      -1.18490067       0.54064974
Cr       2.78982000       0.16020000      11.16015000       0.44680397       0.30594729       1.24382860
Cr       4.29423000       2.76579000      11.17668000      -1.81749849      -0.37734926      -0.29059602
Cr       1.32040000       2.69911000      11.13383000      -0.11422058      -1.00602954       1.08143976
O        1.74474000       0.79800000      19.51018000      -1.78307112      -1.26568507       0.10836523
O        4.86064000       0.78563000      19.54745000      -0.40450400       0.01349835       0.26184907
O        3.23730000       3.53896000      19.57834000       1.31139006       1.30200294      -0.00097275
O        4.15521000       2.44421000       0.25669000       1.36432632       0.57289100      -0.15298766
O        1.58540000       2.26200000       0.19458000      -1.22491140       1.15637820      -0.67832758
O        2.95580000       0.23394000       0.28303000      -0.88803643      -2.31802996      -1.35064135
O        1.25391000       4.20465000       9.98180000      -0.83815516       1.79562090      -0.72276777
O       -1.48704000       4.50369000       9.98092000      -0.64030205      -1.10905349       0.10730195
O       -0.25024000       2.09702000       9.88502000       0.25264198      -1.39496591       1.57266702
O        1.45328000       0.98013000      12.60406000       0.05000889       0.86305544      -2.01547246
O        4.11093000       1.12642000      12.28411000       0.79631340      -0.02976586       0.16002548
O        2.72491000       3.45585000      12.34204000       0.50053892       0.04356699      -0.04552578
O       -1.08923000       2.60955000      21.90923000       0.11749131      -0.16905226      -1.24298571
O        1.72119000       2.52880000      21.81204000      -0.65392027       1.20714245      -0.04231644
O        3.19172000       0.00601000      21.76784000       2.30408000      -1.15531135       1.22636506
O        1.36361000       4.31565000       2.63633000      -0.59650816      -1.16914949      -1.98618225
O       -1.86997000       4.23386000       2.67804000       0.94919133      -0.99372956      -1.15681704
O       -0.15327000       1.33775000       2.67803000       0.73972243       1.99069475      -1.05011804
O        1.03805000       0.66515000       5.15396000       0.53703067      -0.53721953      -0.46791592
O        4.34186000       0.75223000       5.08234000      -1.10783342      -0.80105765       0.49275510
O        2.57135000       3.43065000       4.95561000       0.67133632      -1.06423017       1.74216364
O        4.24663000       2.54400000      14.78123000       1.13711015       0.28040857       0.83714886
O        1.60380000       2.53602000      15.10768000      -1.71774900      -0.20243906      -2.10176544
O        2.88116000       0.21803000      14.81467000       1.12291442      -0.78009722      -0.10850747
O        1.75471000       4.01015000      24.18499000      -0.50113406       1.67694328       0.28265669
O       -1.07771000       4.09589000      24.02619000      -0.10393536       0.58862215       1.44801177
O        0.26698000       1.77897000      24.32062000       1.17509985       0.28013739      -1.31088371
O        0.48761000       0.08645000      21.60538000      -1.64811745      -1.08707831       1.48082012
O        2.81546000       1.59231000       2.51959000      -0.43188618       0.51773692      -1.38038966
O       -0.12175000       3.50116000      12.20516000      -0.23194192       0.68391101      -1.39360105
O        2.57795000       4.99758000       7.33203000       0.48077255      -0.56542971      -0.39283346
O        2.90349000       1.73315000      17.02859000       1.09742485      -1.03197421       0.47435802
O        0.19412000       3.51448000      26.35486000       0.65252180      -1.47663662      -0.29463086
O        5.84023000       0.06157000       0.36204000      -2.02622903      -1.91439841      -0.98310496
O        2.68419000       1.81322000      10.06846000       1.21066721       0.22675485       0.62934478
O        0.50397000       3.28030000      19.67334000      -1.09169488       2.16737526       0.17423355
O        0.01517000       1.59291000      17.08461000       0.37900873      -0.39852470       0.30614787
O        1.78134000       4.45344000      17.19493000      -1.83286308      -0.41055905      -0.12881718
O       -1.51403000       4.14578000      17.08500000       0.79878131       1.09239899       0.53925616
O        3.44756000       3.30663000      26.39730000      -2.61385172      -0.46096062       0.06706211
O        1.67475000       0.76632000      26.28225000       1.38744814       0.94655454       0.13098127
O        4.41536000       0.95339000      26.30526000       0.54297482      -0.86570264       0.81463121
O       -0.40425000       4.88233000       7.32207000       1.13480528       0.87241962      -0.37708347
O        4.33851000       2.60247000       7.41015000      -0.69723843      -0.68535535       0.84267018
O        0.95697000       2.42588000       7.39979000       2.12532872       2.10968430       1.29402786
Zn       0.09790000       0.01807000      27.05905000      -0.34447881      -0.20185666      -0.04270503
Zn       2.70011000       1.80462000       8.14758000      -0.21303954      -0.76539951      -0.82782233
Zn       0.11095000       3.48595000      17.85100000       0.57837695      -0.54837146      -1.09139101
Zn       0.31286000       0.03243000      23.53034000      -0.26942604      -0.40909905       0.12408370
Zn       2.64721000       1.57101000       4.42046000       0.12142383      -0.73046829       0.52277439
Zn       0.05001000       3.32083000      14.01837000       0.07596989       0.56537493       2.44574801
Zn       5.72237000       0.25547000      13.47176000       0.12394572      -0.62096220      -0.27798347
Zn       3.07419000       1.67075000      22.88699000       0.90654607       0.06567757       0.02028363
Zn      -0.10551000       3.18207000       3.42693000      -0.58433332       0.56849757       0.74881473
Zn       5.72857000       0.24018000       9.21821000      -0.19581334      -0.27901511       0.70951321
Zn       3.23504000       1.77884000      18.98542000       0.57568711      -0.57033091      -0.53113203
Zn      -0.11118000       3.38542000      28.29321000       0.65852516       0.10234354       0.25356697
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.67616467 magmom=71.9973725 free_energy=-551.67616467 stress="-0.03170814825311424 0.0019956815799767784 -0.0035676827734172365 0.0019956815799767784 -0.05194584911521386 0.013227458773813611 -0.0035676827734172365 0.013227458773813611 -0.047357245109539925" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44214000       0.83808000      16.09044000       0.85856361       1.32017521      -3.55268812
Cr       4.42875000       0.78873000      15.90403000       0.04249372       2.35001376      -0.51515425
Cr       2.92543000       3.42754000      16.11840000       0.40662903      -0.21827123      -3.24073857
Cr      -1.23420000       2.48054000      25.23142000       0.40772670      -0.35697343       1.63030570
Cr       1.87837000       2.50186000      25.38369000      -3.91168910       0.85834058      -3.81308081
Cr       0.26297000       5.08551000      25.22043000      -1.21256536      -0.44741055       0.80199142
Cr       1.05580000       4.11527000       6.07331000       0.76199049      -0.50715918       0.83321593
Cr      -1.88692000       4.20680000       6.21257000       0.40265471      -2.19126445       0.99486661
Cr      -0.32182000       1.62368000       6.28050000       0.78176070      -0.36246012      -0.36385771
Cr      -2.79158000       5.10341000      18.14253000      -0.49375368      -0.09242341       5.84223757
Cr       2.94531000       1.68439000      27.54027000       0.68731214      -1.34276254       4.29296222
Cr      -0.26427000       3.52462000       8.68917000       1.11871644       0.05837006       0.72760927
Cr       2.71576000       4.99661000       3.79483000       0.52019787      -0.10196715      -1.62883837
Cr       2.81533000       1.78321000      13.62304000       0.28931417       1.73728500       0.44599168
Cr       0.34515000       3.32724000      23.05382000      -0.48375214       1.79273901      -0.99981111
Cr       0.31477000       1.77796000      20.73953000       0.58219694      -1.74251659      -1.00480902
Cr       1.94527000       4.30413000      20.73043000      -3.62691296      -0.97986094      -0.68264405
Cr      -1.07727000       4.27875000      20.65716000      -1.15170371      -0.16225235       1.51243451
Cr       2.69987000       3.45994000       1.35590000       2.67398749      -5.23825987      -0.58085020
Cr       1.48242000       0.67966000       1.37075000      -1.71313501       1.27379043       0.21091964
Cr       4.37120000       0.89742000       1.41785000      -0.41889789      -1.00018187      -1.82547301
Cr       2.83895000       0.09696000      11.30416000      -1.26527933       1.80164474      -1.36322132
Cr       4.19182000       2.70405000      11.19735000       0.39214038      -0.12285530      -0.10757021
Cr       1.22652000       2.59144000      11.19827000       1.30306334       1.09850631      -0.20389533
O        1.70288000       0.55522000      19.40735000      -0.20769556       2.56341352      -0.61766433
O        4.93059000       0.83897000      19.59029000      -0.96109844      -0.04447284      -0.70548373
O        3.25507000       3.58835000      19.45642000       0.31822436      -0.39784262       0.10191656
O        4.23614000       2.44734000       0.31400000      -1.08770494       0.51492416      -0.91792526
O        1.37408000       2.32327000       0.14923000       1.87535085       0.15098536       0.42103138
O        2.79098000       0.04874000       0.15602000       1.36872796       1.11208206      -0.05992496
O        1.18080000       4.50007000      10.20545000       1.41642218      -2.46701812      -2.75339298
O       -1.43565000       4.42526000      10.05925000      -0.89866656      -1.10576171      -1.14673389
O       -0.27328000       1.98883000       9.93782000       0.57615792       0.80515008       0.37880169
O        1.49010000       0.98909000      12.44381000      -2.10095003       0.13201715       0.23122115
O        4.05145000       1.04457000      12.38918000       2.65309895       0.23844167       0.47989702
O        2.76674000       3.27722000      12.31941000      -0.95976979       1.38310661       0.98187379
O       -1.04000000       2.64810000      21.81527000      -0.41678518      -0.39629612       0.41153807
O        1.68286000       2.63012000      21.85504000       1.26458908      -0.27137966      -0.01797019
O        0.28086000       4.97551000      21.98396000       0.58787709       0.40596020      -1.13123743
O        1.48895000       4.31955000       2.37261000      -2.61017670       0.16614096       2.82934605
O       -1.72406000       4.24475000       2.55967000      -0.08842012      -0.32665299       0.62951034
O       -0.08724000       1.42421000       2.52070000       0.88108112       1.04556260       1.25027698
O        1.00748000       0.54464000       5.09059000       0.81475795       2.73608748      -0.51445845
O        4.29883000       0.64715000       5.08477000       0.05996524       0.33237636      -0.45501456
O        2.61104000       3.37728000       4.92549000      -0.23989616       0.70440812       1.17599740
O        4.37807000       2.58698000      14.73101000      -1.82096086      -0.91959142       1.24685076
O        1.43968000       2.59968000      15.01345000       1.98365391      -1.00233960       0.32281573
O        2.94889000       0.27266000      14.78699000      -0.66004757      -1.67459287       0.51187874
O        1.68628000       4.20662000      24.28139000       0.76794372      -0.48091929      -0.63171675
O       -1.07525000       4.07498000      24.20683000      -0.51556815       0.73194308      -0.61326673
O        0.27908000       1.84620000      24.21410000       0.66140717      -1.73004262       0.36933108
O        0.30762000       0.01959000      21.64359000       2.26627370       0.89178926       1.39606125
O        2.90466000       1.64231000       2.34694000      -1.21366400       0.37409897       1.67438119
O       -0.17828000       3.56132000      12.13106000      -0.22994578      -2.05592316       1.90304698
O        2.50874000       5.02329000       7.29078000       0.66473766      -0.06111545       0.08740644
O        2.91236000       1.71498000      16.90888000       1.28625908      -0.36557207       1.87220144
O        0.36177000       3.39009000      26.26701000      -1.20184680      -0.22043428       0.42605809
O        2.87579000       4.96388000       0.34558000       0.02687814       2.27455367      -0.15225975
O        2.76343000       1.81189000      10.26121000      -0.52004469      -0.04507176      -2.39634190
O        0.39782000       3.44974000      19.79100000       0.44715775      -0.13020783      -1.44945083
O       -0.00071000       1.59073000      17.17109000      -0.33333703       0.22669448      -1.15740582
O        1.50395000       4.40552000      17.12227000       1.82092179      -0.07964432      -0.10386589
O       -1.41154000       4.30315000      17.06079000      -1.30872785      -0.57874266      -0.73495650
O        3.21351000       3.21382000      26.39891000       1.47333361       1.07987338       0.62424827
O        1.73078000       0.87143000      26.32623000      -0.42188292      -1.29814755      -0.31110032
O        4.36502000       0.82401000      26.43198000       0.95670507       1.60787159       0.01778999
O       -0.38022000       4.83674000       7.22605000       0.67699254       1.50175852       0.67350223
O        4.33960000       2.62966000       7.43152000      -0.31896730      -0.21937998       0.07091640
O        1.15766000       2.54030000       7.32216000      -1.77821667       0.43712222       0.05887688
Zn       2.94797000       5.03928000      27.11607000       0.96548542       0.27404020      -1.07522510
Zn       2.72710000       1.84597000       8.12767000       0.10205829      -0.99446722       0.92999981
Zn       0.06616000       3.43356000      17.89655000      -0.03426204      -0.59971522       0.03894893
Zn      -2.61216000       5.10394000      23.55377000      -0.19737505      -0.09356600       0.54119226
Zn       2.79331000       1.55072000       4.42454000      -1.13921757      -0.12284127      -1.06158203
Zn       0.09728000       3.34172000      14.01821000      -1.13846824       1.45108625       0.09772949
Zn      -0.14003000       0.29772000      13.51213000       0.08330556      -0.70893176      -0.54757000
Zn       3.10180000       1.66300000      22.94177000       0.65840979      -0.06185946      -0.40970873
Zn      -0.07484000       3.27346000       3.44783000      -0.48881325       0.06822626      -0.13800376
Zn      -0.01800000       0.22672000       9.30042000      -1.18321846      -1.04738693       0.12657916
Zn       3.23147000       1.73830000      18.95825000      -0.07812859      -0.84109365       0.12630770
Zn      -0.16382000       3.35787000      28.20174000       0.54502182      -0.29294990      -0.31517584
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.28539731 magmom=72.0004186 free_energy=-552.28539731 stress="-0.02377597484912695 0.007411237647489207 0.0057127353633645035 0.007411237647489207 -0.032630661246258526 0.00432434766557792 0.0057127353633645035 0.00432434766557792 -0.039203271683391175" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39309000       0.98738000      16.02375000       2.17115171      -1.84727683      -1.10706665
Cr       4.39628000       0.83509000      15.89662000       0.21066759       0.01416695      -0.09255642
Cr       2.95368000       3.47956000      16.03554000       0.02601313      -1.91057849      -1.98051091
Cr      -1.19898000       2.49149000      25.41952000      -0.81389247      -0.01080769      -2.13726100
Cr       1.77600000       2.46192000      25.28366000       1.03862191       0.12584823      -0.43996467
Cr       0.24944000       5.09581000      25.27413000      -0.06086718       0.56547131       1.28070806
Cr       0.92964000       4.14745000       6.01463000       2.62368177       0.23032587       0.39541133
Cr      -1.87244000       4.24876000       6.25093000       1.00015420       0.22265799      -0.28753068
Cr      -0.36943000       1.64924000       6.24547000       1.25206682      -0.24084727      -0.62936477
Cr      -2.83823000       5.08344000      18.12046000      -0.47330080       1.00754767       3.57827466
Cr       2.87684000       1.67751000      27.71972000       0.89180185      -0.00286440      -4.01341106
Cr      -0.20489000       3.46209000       8.67007000       0.91882629       0.98150168       0.58952238
Cr       2.83949000       5.03236000       3.65454000      -0.68917670       0.31820603       2.11569585
Cr       2.78582000       1.71897000      13.64496000       1.39825943       0.09596737      -0.92539511
Cr       0.35645000       3.37353000      23.07161000      -0.60877491      -0.07991607      -0.86892434
Cr       0.39181000       1.73619000      20.75544000      -0.20888989      -0.33953423      -2.05881472
Cr       1.83020000       4.29912000      20.70094000       1.10595765       1.12611878       0.12300722
Cr      -1.17624000       4.26249000      20.67090000       0.69371135       0.71275161      -0.01571442
Cr       2.72937000       3.36332000       1.34378000       1.15418762       1.48001603       1.62431826
Cr       1.53917000       0.80673000       1.37446000      -3.27518817      -1.45484604       0.47878428
Cr       4.38367000       0.86700000       1.28778000      -0.43989466       0.08638174       2.40498849
Cr       2.85400000       0.10149000      11.35378000      -0.11436437      -1.23519306      -2.48187260
Cr       4.10743000       2.64066000      11.21960000       1.74094212       0.09405308      -0.07766716
Cr       1.21928000       2.57064000      11.24227000       0.93850775       2.32569964      -1.43485455
O        1.54185000       0.69411000      19.29685000       0.66260707       1.04052322       1.54478087
O        4.86968000       0.85201000      19.55242000       0.17707122      -0.21627059       0.45880315
O        3.31718000       3.65187000      19.43916000      -0.90123463      -1.55834829       0.35346462
O        4.15212000       2.51589000       0.24501000       0.79487431       0.11536162       0.40560360
O        1.50477000       2.42721000       0.18978000      -1.10932844       0.00997281      -0.06819519
O        2.86767000       0.07618000       0.07054000       0.47884350      -0.45528334       1.67950302
O        1.20100000       4.36842000      10.02554000      -0.41280605      -0.63110715       0.24741578
O       -1.50274000       4.11787000       9.96352000      -0.12708937       1.61816446       0.58659882
O       -0.18670000       2.02879000      10.07701000      -0.49118518      -1.46480889      -1.48519241
O        1.27677000       1.02743000      12.30577000       1.47375021      -1.55427451       1.34988214
O        4.29762000       1.03810000      12.50047000      -2.12579188      -0.30641489      -1.14179678
O        2.68161000       3.27717000      12.42933000       0.13306061       0.35161957       0.10719833
O       -0.97510000       2.62939000      21.76478000      -0.63598285      -0.12638467       1.18247828
O        1.77228000       2.71910000      21.86413000       0.29574192      -1.34881041      -0.02348544
O        0.43207000       4.87488000      21.93725000      -1.23568975       2.25259922      -0.57708800
O        1.31750000       4.30757000       2.46566000       1.72799521       0.66188650      -0.58282131
O       -1.66789000       4.24214000       2.49109000      -0.51866184       0.27573079      -0.10782593
O        0.08593000       1.61838000       2.51805000      -1.27485730      -1.46606635      -0.60535746
O        1.07370000       0.79376000       4.99133000      -0.14941001      -0.60247812       0.46540109
O        4.32154000       0.59072000       5.01830000       0.76392585       1.24424437      -1.11043772
O        2.62106000       3.47684000       5.13422000       0.27528989      -0.60424114      -1.76987348
O        4.15282000       2.45339000      14.89837000       1.35737118       0.98421753      -1.52178167
O        1.62269000       2.48736000      14.90763000      -1.88534348       1.73052582       0.02965319
O        2.91932000       0.11549000      14.84485000      -0.74476053       0.18332207      -0.39440877
O        1.67205000       4.27604000      24.27843000       0.20710404      -1.19679735      -0.02255815
O       -1.09335000       4.11403000      24.30760000       0.49357553      -0.69334907      -1.00152596
O        0.42418000       1.74084000      24.14865000      -1.45817877       0.93097725       0.71705082
O        0.42441000       0.04281000      21.75098000      -0.61294002      -0.03305508      -1.22192084
O        2.82833000       1.72768000       2.37818000       1.38363141      -0.45672814       0.54149689
O       -0.26724000       3.38544000      12.22749000       0.31308986       1.34695745       0.04394669
O        2.59285000       5.04723000       7.21618000      -0.07350638       0.63483151       1.23681894
O        3.09979000       1.64840000      17.03581000      -1.80206173       1.11272589      -0.55557186
O        0.31512000       3.24393000      26.21425000      -0.04988128       1.54831171       1.92409533
O        2.82141000       5.07534000       0.39154000       1.16567739       0.05504503      -0.51168280
O        2.75338000       1.79291000      10.09547000      -0.69975122      -0.72292333       0.88451372
O        0.35467000       3.62174000      19.69950000       0.04547775      -1.85411899       0.28380972
O       -0.07429000       1.62864000      17.04878000       0.00032433      -0.19792789       0.10524048
O        1.50570000       4.34594000      16.99884000       1.07734252      -0.13080586       0.96926307
O       -1.50098000       4.34494000      16.91279000      -0.04274486       0.05169467       0.89581842
O        3.18397000       3.25762000      26.44262000      -0.05666044      -1.24313250      -0.13923388
O        1.73663000       0.78818000      26.30494000      -0.12060717       0.47658733       0.77055539
O        4.45932000       0.98091000      26.51024000      -0.88666532      -0.80194941       0.25443184
O       -0.26213000       5.01678000       7.24338000      -1.35633466       0.14822822       1.02516291
O        4.33737000       2.63348000       7.44660000      -0.31994001       0.35200524      -0.28426941
O        1.02917000       2.74922000       7.28012000      -0.05127868      -2.18358582       0.98609857
Zn       2.90908000       4.96973000      27.11416000       0.96090010       0.85641831      -0.50197770
Zn       2.74596000       1.83224000       8.14396000      -0.78870837      -0.61372309      -0.46449236
Zn       0.02462000       3.35819000      17.92151000      -0.34153535       0.44509471      -1.89427147
Zn      -2.59993000       5.05667000      23.61260000      -0.33277451      -0.53428478       0.35847483
Zn       2.86609000       1.53002000       4.38492000      -1.60223942       1.31884150       0.01102667
Zn       0.08983000       3.42363000      14.05967000      -0.73831664      -0.07326994       1.49996782
Zn      -0.09927000       0.29617000      13.53696000       0.01316693      -0.95055561       0.05010255
Zn       3.16567000       1.65313000      22.98440000       0.57249897      -0.09255155      -0.74344183
Zn      -0.07214000       3.36661000       3.47967000      -0.64675839      -0.17522318       0.74315101
Zn       0.05990000       0.16711000       9.38143000      -1.69614462      -0.11083610      -0.21132335
Zn       3.22800000       1.65678000      18.93518000      -0.24872014       0.29758570       0.64982030
Zn      -0.17935000       3.31723000      28.10684000       0.68436746       0.09098365       0.53910341
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.50858797 magmom=72.0015411 free_energy=-551.50858797 stress="-0.04272564563189013 0.004349568368136807 0.002623412222743127 0.004349568368136807 -0.0268571850702167 -0.012334815976862869 0.002623412222743127 -0.012334815976862869 -0.04482704777837687" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41002000       0.99993000      15.95441000       0.61935065      -0.90056340      -0.40228094
Cr       4.39324000       0.87814000      15.92510000      -1.62466761      -1.20556877      -1.14390443
Cr       2.98666000       3.50037000      15.91138000      -0.46297312      -1.18311667      -1.18811648
Cr      -1.21060000       2.50594000      25.50547000       0.24643631      -0.22280178      -2.88182453
Cr       1.72605000       2.41133000      25.21306000       1.10036730       0.30927415       1.83120075
Cr       3.17180000       0.03397000      25.43124000       0.39394967      -1.68906697      -1.78424201
Cr       0.96896000       4.19326000       5.99796000       2.56469067       0.99975847       0.75493868
Cr      -1.80787000       4.29904000       6.29140000      -0.30115273       1.06125135      -0.76555612
Cr      -0.34005000       1.66163000       6.18214000       0.22919158       0.32626361      -0.12641000
Cr      -2.88676000       5.08469000      18.17412000       1.07788049       0.65741658       2.23545054
Cr       2.84598000       1.65793000      27.76652000       0.69091191       0.00733209      -1.71854126
Cr      -0.11156000       3.44990000       8.70043000      -3.25847772      -0.30754446      -1.06121773
Cr       2.92715000       5.09473000       3.63091000      -1.45372768       0.15404271       2.54765553
Cr       2.83193000       1.68173000      13.61255000      -1.60916986       0.09343010      -0.82385028
Cr       0.33400000       3.43637000      23.00503000       0.90182738      -0.72807954      -1.15199128
Cr       0.43960000       1.68656000      20.66530000      -2.66844420       3.39746376       2.49609816
Cr       1.75181000       4.34547000      20.65961000       1.56210482      -1.25275406       0.98090040
Cr      -1.23844000       4.26147000      20.69151000       1.99856902      -1.01692866      -0.82619014
Cr       2.86580000       3.28690000       1.39543000      -0.95577049       4.46717328       1.10449229
Cr       1.43428000       0.88606000       1.36767000       0.29967570      -1.09295508       0.77101914
Cr       4.35913000       0.85308000       1.25555000       2.39321478       0.29101252       3.70619412
Cr       2.85295000       0.03648000      11.24106000      -1.95933852      -1.31628996      -1.11546417
Cr       4.13319000       2.58912000      11.23904000       0.85187194       0.03961056      -0.61200913
Cr       1.26131000       2.65817000      11.21433000      -0.46069043      -2.08671675       0.33133133
O        1.45830000       1.00903000      19.39655000       2.16478310      -3.41829995      -2.45389447
O        4.86287000       0.81643000      19.58421000      -0.63505927       0.36007051      -0.92087157
O        3.24347000       3.50493000      19.51280000      -0.02604422       1.14298896      -0.42338921
O        4.19582000       2.58896000       0.24195000       0.07623533      -1.10041940      -0.24594586
O        1.47133000       2.53483000       0.23405000       0.57167211      -0.70856579      -0.12541916
O        3.02268000       0.06385000       0.28664000      -2.48006480      -0.34931731      -1.53501864
O        1.16408000       4.07117000       9.87559000       1.66401463       2.39002470       1.88965835
O       -1.55234000       4.02655000       9.97381000       0.67014722       1.23747613       0.61241353
O       -0.14818000       1.89132000       9.99029000      -0.76672149       0.31475201       0.49408053
O        1.36295000       0.89301000      12.35600000       0.76954306       0.47912480       0.13027022
O        4.12412000       0.98149000      12.37167000       0.67015568      -0.74960690      -0.04556347
O        2.62925000       3.29426000      12.53226000       0.96671620       0.37187299      -1.33597107
O       -0.95948000       2.62630000      21.88912000      -0.94459436       0.09668251      -0.73597726
O        1.84675000       2.61225000      21.82622000      -1.07810102       0.64061410       0.08027516
O        3.30670000       0.00051000      21.75916000      -0.80315461      -0.77586133       0.94726683
O        1.46689000       4.44714000       2.52851000       0.05552852      -1.67578781      -0.81621196
O       -1.74278000       4.32982000       2.41860000       2.01510399      -1.02096498       0.39713078
O        0.00631000       1.50318000       2.44143000      -0.82378468       1.88694330       0.55731009
O        1.09236000       0.94785000       4.99588000       0.84138756      -1.12454438       0.38767364
O        4.51121000       0.72847000       4.81123000      -1.82750678      -0.00393398       1.28962832
O        2.68528000       3.55567000       5.08058000       0.06395618      -0.50543386      -0.56353556
O        4.11902000       2.42865000      14.79863000       2.43269075       0.76246641      -0.58382704
O        1.58905000       2.57973000      14.84314000      -0.83237716       0.06535979       0.22527583
O        2.76436000       0.09314000      14.87772000       1.02501972       1.45441436       0.03534511
O        1.66084000       4.09865000      24.27369000       0.44958583       1.38323527       0.32905361
O       -0.98215000       4.04382000      24.24145000      -1.26182645       1.20338295       0.66563369
O        0.26255000       1.80299000      24.23326000      -1.03495424      -0.82089345      -0.57489052
O        0.41602000       0.07723000      21.62353000      -1.56199248      -0.97473222       2.27050836
O        2.93110000       1.70788000       2.43166000      -0.25431238      -0.59914459      -0.67795192
O       -0.28073000       3.39980000      12.27470000       0.62174129       0.51933188      -0.55569710
O        5.67759000       0.08586000       7.30015000      -0.84969115      -0.54574979       0.36500815
O        2.98622000       1.77575000      16.98022000      -0.36782675      -0.13741179       0.05256559
O        0.26990000       3.36654000      26.35152000       1.15758902       0.30772199      -1.99562487
O        0.01492000       0.15711000       0.34830000      -0.66337508      -1.79518179      -1.30814448
O        2.60657000       1.64714000      10.11764000       1.18321859       0.66921291       0.41138804
O        0.34594000       3.43514000      19.69105000      -0.94953110       0.36329009      -0.31572022
O       -0.13878000       1.68063000      16.89324000       1.10802087      -0.60857791       1.63757535
O        1.68679000       4.29534000      17.01821000      -1.50535668       0.86133734       0.82670192
O       -1.55666000       4.37735000      16.91462000       0.58547645       0.25474015       1.26368217
O        3.18585000       3.11161000      26.44795000      -1.66827327       1.30504152       0.01852288
O        1.69630000       0.76178000      26.39025000      -0.52804620       0.57564765       0.20163856
O        4.35915000       0.99942000      26.60958000       0.79428283      -1.38900822       0.17968038
O        2.60675000       0.01748000       7.38968000       0.62364344      -1.64205536      -0.56534085
O        4.32350000       2.72711000       7.36556000      -0.89046626      -0.76189152       0.60747705
O        0.84554000       2.64297000       7.31246000       2.92647892       0.32302858      -0.60213266
Zn       2.92981000       4.93599000      27.08023000       0.44074190       0.26852034      -0.01660417
Zn       2.72712000       1.78483000       8.14198000      -0.16685803       0.49009362      -0.44423958
Zn      -0.03947000       3.30024000      17.85274000       0.25666713       1.20048186      -0.75717402
Zn      -2.60239000       4.98337000      23.69963000      -0.07589187       0.43394789      -0.80546448
Zn       2.85334000       1.57718000       4.34127000      -0.59846442       0.89851480       0.91724251
Zn       0.03011000       3.50904000      14.17361000      -0.64329369      -1.22330305      -0.19583790
Zn      -0.05945000       0.24040000      13.56964000      -0.21659186      -0.72626959      -0.57473506
Zn       3.26821000       1.63810000      22.99924000       0.13886762       0.35450167      -0.92205062
Zn      -0.09939000       3.46008000       3.55128000      -0.03301734      -0.17263537      -0.45241023
Zn       0.04499000       0.08986000       9.45177000      -1.16064758      -0.17800542      -1.04000723
Zn       3.21200000       1.58227000      18.94689000       0.04262383       0.80736352       0.03884474
Zn      -0.16002000       3.27623000      28.05350000       0.15630357       0.78376808       3.60011732
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.82472512 magmom=71.9975773 free_energy=-549.82472513 stress="-0.050601232559191266 -0.004857028712673624 -0.013501564140412155 -0.004857028712673624 -0.03747900919314176 -0.00021412072523483924 -0.013501564140412155 -0.00021412072523483924 -0.033893731561808096" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41922000       0.92495000      15.91922000      -1.23994559       1.10426351       0.05304745
Cr       4.34168000       0.86297000      15.94324000       0.55956490       0.67293749      -0.20998340
Cr       2.99252000       3.49911000      15.76861000      -0.48080636       0.78132081       0.96547833
Cr      -1.25354000       2.52521000      25.42987000      -0.84942910       0.21273028       0.64562062
Cr       1.74000000       2.36663000      25.26146000      -2.47536836       0.73763558      -1.28681149
Cr       3.14398000       0.03407000      25.53936000      -0.18692293      -0.22170655      -3.78150751
Cr       1.19566000       4.30085000       6.02536000       0.41734937      -0.60067250       1.22129976
Cr      -1.74973000       4.40329000       6.30840000      -0.59652874      -1.37288210      -0.37040209
Cr      -0.26918000       1.71115000       6.12125000       0.33771119       1.80885037       1.88892515
Cr       0.07657000       0.00096000      18.30729000       0.85999189      -0.36390847      -1.69142461
Cr       2.86616000       1.61678000      27.78975000       0.19845871       0.24872911       0.42184947
Cr      -0.15526000       3.41644000       8.69600000      -0.50224070      -1.48915933      -0.58332868
Cr      -0.01016000       0.07448000       3.74676000      -0.20480111      -0.42691643      -1.31379412
Cr       2.83490000       1.66501000      13.50454000       0.75748916       2.26297467      -0.27250411
Cr       0.34080000       3.47211000      22.87653000      -0.64791392       0.20502867       3.45229046
Cr       0.36561000       1.75899000      20.66026000      -1.36146034      -2.69749452       0.57337064
Cr       1.75784000       4.34011000      20.63414000      -1.49484540      -1.16397654       0.81777262
Cr      -1.21755000       4.21073000      20.66773000      -2.08688592       1.40422255      -0.37337774
Cr       3.00174000       3.42305000       1.47539000      -0.07107808      -0.85678000      -2.45494084
Cr       1.33775000       0.91756000       1.33510000       1.74716639      -0.58120482       1.58197537
Cr       4.39094000       0.85256000       1.36104000       0.28043374      -1.97719868      -0.89434123
Cr      -0.20498000       5.00168000      11.04276000       1.64884312       3.26479990       2.73056846
Cr       4.23484000       2.53020000      11.23294000      -0.31905975      -0.64638958      -0.71833975
Cr       1.29894000       2.64473000      11.20363000       0.10403599      -2.32931872       0.69187851
O        1.55096000       0.78197000      19.29854000      -0.69308770      -0.41402311       2.08214605
O        4.79639000       0.83966000      19.52270000       0.25012244       0.28584795       0.90328627
O        3.15244000       3.54581000      19.53245000       0.42890198      -0.36650387      -0.26147889
O        4.25821000       2.48013000       0.28184000      -0.69431713      -0.34399505      -0.56016025
O        1.46897000       2.53937000       0.30237000       1.60230438      -0.25830024      -0.32643622
O       -0.11917000       5.06397000       0.39712000       0.34521555       1.77117049      -1.18793124
O        1.27074000       4.10685000       9.98585000      -0.72276252       0.57037262      -1.35770616
O       -1.46722000       4.13618000      10.08919000      -1.89728453      -1.18491470      -2.78840225
O       -0.25919000       1.84396000       9.94675000       0.68084801       0.49432207       0.38462169
O        1.61594000       0.81606000      12.43276000      -3.95512871      -0.09326852      -0.67074528
O        3.95576000       0.83618000      12.18128000       3.21478562       0.34407161       1.62123224
O        2.77095000       3.27969000      12.34456000       0.08471437       0.45707642       0.23302107
O       -1.06823000       2.70030000      21.87284000      -0.41811022      -0.93356826      -0.77899366
O        1.63900000       2.61897000      21.76055000       1.05260659       0.70061795       0.13639403
O        3.07902000       0.05846000      21.70616000       1.50863316      -1.01158965       0.62959323
O        1.77524000       4.36810000       2.43824000      -2.77348938       0.05577197       1.96950319
O       -1.56467000       4.34175000       2.47399000       0.22842161       0.70499350       1.66486418
O       -0.18572000       1.58461000       2.47539000       1.99658810       1.27015677       1.16768257
O        1.19239000       0.86101000       5.10887000       0.37209063       0.23225537      -0.16976084
O        4.45973000       0.86239000       4.84983000      -0.86204832      -0.83882909       0.92792517
O        2.76924000       3.61055000       4.92568000      -0.04307166       0.12522430       1.16511329
O        4.41821000       2.48986000      14.54537000      -3.19877502      -1.49477211       2.01017965
O        1.45737000       2.68514000      14.85009000       1.61759437      -1.16980233      -0.39387942
O        2.83550000       0.34640000      14.86839000       0.98636423      -2.69077669      -0.81946433
O        1.65661000       4.07170000      24.31776000      -0.24024611       0.82510885      -0.97306482
O       -0.99016000       4.14069000      24.25300000      -0.29489712       0.20695179       0.24118628
O       -0.06568000       1.79653000      24.22983000       2.83027516      -0.97612014      -1.15094887
O       -2.80608000       5.08182000      21.75381000       1.51007822       0.69131101      -0.39160821
O        2.98358000       1.62619000       2.33810000      -1.66321520       1.03543469       1.76046509
O       -0.17385000       3.49109000      12.14036000       0.01542397      -1.76364980       1.78706775
O        5.70441000       0.18373000       7.38847000      -0.60066154      -0.83010394      -1.20591856
O        2.78440000       1.91121000      16.80475000       2.10576850      -0.88718153       1.88830199
O        0.40893000       3.51894000      26.25263000      -1.69171051      -3.64249479       2.35251540
O        0.10033000       0.04547000       0.22569000      -1.54049533      -0.76621408       2.00139116
O        2.65111000       1.64044000      10.24563000       0.80135764       1.08356681      -3.01118817
O        0.18534000       3.31808000      19.67256000       0.68100661       1.79345235      -1.36115003
O       -0.06459000       1.57098000      16.95407000      -0.35612994      -0.38955829       0.98061422
O        1.61577000       4.36963000      17.15000000      -0.16194790       0.06292918      -1.17458317
O       -1.48498000       4.45093000      17.09422000      -1.00098730      -0.75503563      -1.60605695
O        2.96909000       3.08331000      26.43014000       2.15619111       0.45461669       0.79228468
O        1.58986000       0.84105000      26.49026000       0.83525615      -0.34965819      -0.71746846
O        4.33717000       0.77926000      26.74773000       0.32611265       2.27751582      -0.97631293
O       -0.31346000       4.89486000       7.43725000       1.56776422       1.49559071      -0.38010928
O        4.19540000       2.73800000       7.31460000       1.10468645      -0.73314959       0.30459560
O        1.09427000       2.60110000       7.25130000      -0.31025234       1.21793261       0.15963112
Zn       2.98430000       4.91331000      27.01714000       0.18896257      -0.26329022      -0.38509957
Zn       2.68895000       1.74360000       8.11285000      -0.02841149      -0.14608727       0.46619602
Zn      -0.09934000       3.30110000      17.71803000       1.11649342       0.72594547       0.13568373
Zn      -2.61465000       4.91862000      23.76086000      -0.72202484       1.06489910      -0.84695423
Zn       2.79449000       1.69133000       4.33126000      -0.14627517       0.66901681      -0.41691783
Zn      -0.08336000       3.56696000      14.30589000       0.94696153       1.51525444      -1.72475176
Zn      -0.02088000       0.12615000      13.59003000       0.01607263      -0.38819384      -1.30088727
Zn       3.39845000       1.63791000      22.98105000      -0.39278516       0.17009907      -0.33866447
Zn      -0.14034000       3.55975000       3.63234000       0.26166472      -0.48341798      -0.60678256
Zn       2.90447000       5.09642000       9.48043000      -0.68162052       0.37339028      -0.56673603
Zn       3.19704000       1.54653000      18.96949000      -0.64777825       1.68672535      -0.85365842
Zn      -0.11737000       3.27909000      28.14315000       0.51048920       0.83699219       0.44500318
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.49684115 magmom=72.019156 free_energy=-551.49842461 stress="-0.02763353866560178 0.002524339562501248 -0.0006300279363057849 0.002524339562501248 -0.04728981325552495 0.014737731835214157 -0.0006300279363057849 0.014737731835214157 -0.03290682025660476" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37383000       0.90115000      15.91957000       1.98969340       1.14939908      -1.19633435
Cr       4.33081000       0.87394000      15.96761000       0.87932395       0.85681941      -0.56781561
Cr       2.96360000       3.53540000      15.72104000      -0.54764147      -0.61007471       1.81647220
Cr      -1.32525000       2.53124000      25.36459000       0.51131315      -1.09119861       0.19028983
Cr       1.65166000       2.37207000      25.28407000      -0.73882490       1.47037269      -0.94157026
Cr       3.11025000       0.00674000      25.50771000       1.58549402      -1.27567395      -0.96377286
Cr       1.43803000       4.36694000       6.12291000      -3.15657570      -0.85570120       1.01146727
Cr      -1.69847000       4.41900000       6.32429000       1.71913874      -2.03468624       0.03222987
Cr      -0.18031000       1.86157000       6.15938000       0.04717125      -0.03889477      -0.08310906
Cr      -2.83733000       5.10873000      18.38719000      -0.74234700      -1.42086453      -2.44645797
Cr       2.90445000       1.54220000      27.85509000       0.74878692       2.55755059      -3.95104572
Cr      -0.24678000       3.30656000       8.62529000       1.71774127       0.87161208      -0.56101438
Cr      -0.02142000       0.14663000       3.81266000      -0.46571094       0.42479219       0.46238443
Cr       2.85624000       1.73564000      13.37024000       0.41347762      -1.21684881       1.23508898
Cr       0.30655000       3.50115000      22.93067000      -2.10415854      -1.54913695       1.10934819
Cr       0.20455000       1.72426000      20.69187000       0.52381977       0.00959013      -0.17625469
Cr       1.72071000       4.28255000      20.61606000      -2.10966729       0.26991405      -0.05790705
Cr      -1.29702000       4.22131000      20.62357000      -0.11621290      -1.41452249       2.00335867
Cr       3.10617000       3.50775000       1.44530000      -1.01496319      -3.90383460       3.06528892
Cr       1.37461000       0.93043000       1.34070000      -0.72666822       0.45388213       4.12961400
Cr       4.40648000       0.78276000       1.43479000      -0.91006590       0.03736392       2.33393237
Cr      -0.24402000       5.01310000      10.99856000       1.07063276       0.98181428       1.81368615
Cr       4.32655000       2.44040000      11.18381000      -0.01393156       0.75399635      -1.10304965
Cr       1.34877000       2.50889000      11.21185000      -0.61816001       0.75683187      -1.96790147
O        1.59251000       0.49134000      19.48900000      -0.14293100       4.59523358      -1.18785596
O        4.77935000       0.90125000      19.58507000      -0.20744597      -1.00276728      -0.23765038
O        3.13251000       3.52118000      19.50651000      -0.24451098      -0.74745967      -0.18375355
O        4.24696000       2.33630000       0.28329000       1.61378534       1.28050019       0.31471017
O        1.72162000       2.53517000       0.34833000      -1.90215507       0.90061945      -0.90798015
O        2.67752000       0.06555000       0.29511000       1.85239101      -2.12543313       0.43666611
O        1.18039000       4.20451000       9.99693000      -0.91715983      -1.41758403      -0.48756985
O       -1.55246000       4.07167000       9.84170000       0.58097022       0.30065259       0.83154499
O       -0.22808000       1.91075000       9.99282000       1.91002229      -2.11132222      -0.80863561
O        1.36250000       0.81106000      12.37969000       1.22760856       0.69422213      -0.95388852
O        4.25124000       0.80457000      12.25052000      -1.12735452       0.13372739       0.18003128
O        2.90183000       3.26210000      12.15117000      -0.93965007       0.32347148       1.68109556
O       -1.18572000       2.64612000      21.71448000       0.35119453      -0.68758828       1.54283899
O        1.50542000       2.75995000      21.68545000       1.28209794      -1.85005791       0.86966321
O        0.16213000       4.96464000      21.75980000       0.59271734       1.68695746       0.13956990
O        1.69896000       4.29217000       2.61633000      -0.52345106       0.78289680      -0.43146594
O       -1.48200000       4.50118000       2.72938000      -1.77707344       0.30658625      -1.82906554
O       -0.08879000       1.77464000       2.63302000      -0.04896429      -1.31788987      -1.32469779
O        1.29167000       0.81653000       5.18966000      -0.62150933       1.65383859      -0.94241854
O        4.31821000       0.85110000       5.09673000       1.02054039       1.16080916      -1.40015545
O        2.84419000       3.72780000       4.99299000       0.75658498      -1.00225931       0.08049182
O        4.23453000       2.37081000      14.66190000       1.14155123       1.96231387       0.28851847
O        1.62396000       2.54925000      14.78726000      -1.81365768       0.14769080      -0.84564984
O        3.04591000       0.26251000      14.70559000      -1.61862038       0.96985645       0.82723829
O        1.54672000       4.15647000      24.24582000       0.17393907      -0.14300405       1.11190136
O       -1.02981000       4.23838000      24.34605000      -0.60440796      -1.27472620      -0.84503957
O        0.05351000       1.71830000      24.11858000       0.70177597       1.17851866       0.70917944
O       -2.84660000       5.06425000      21.75471000       1.21040982       0.63913322      -0.19617064
O        2.83350000       1.70236000       2.41910000       1.23528675       0.08997335      -0.42995530
O       -0.07931000       3.34394000      12.20041000      -0.90979195       0.68486014       0.40372334
O        5.65720000       0.13073000       7.24318000       0.97575438       0.60092624       1.29807139
O        2.92052000       1.86803000      16.86490000      -0.31111285      -0.54011764       1.15504241
O        0.25015000       3.20658000      26.38195000      -0.68039561       1.08329339      -0.33301130
O        2.88041000       4.97434000       0.44318000       0.36004536       3.05490919      -2.79824429
O        2.83033000       1.79044000       9.96549000      -0.73413265      -1.43552969       1.73819952
O        0.13300000       3.46705000      19.51730000       0.86634520      -0.97399859       0.66480799
O       -0.02948000       1.41904000      17.14005000      -0.18365508       2.29847079      -0.94004028
O        1.51014000       4.45954000      17.04018000       0.81395036      -1.58281263       0.35660444
O       -1.59969000       4.40661000      16.96066000      -0.17819439      -0.87986798      -0.13898785
O        3.04565000       3.09718000      26.47131000       0.17238323      -0.37066058      -0.34019510
O        1.62667000       0.86252000      26.43557000       0.30923922      -0.90663710       0.60120993
O        4.39390000       0.93933000      26.63202000       0.36408286      -0.55278487      -0.74083261
O       -0.06040000       4.83685000       7.38056000      -1.21598824       1.62575068       0.26824452
O        4.30574000       2.65373000       7.31267000       0.38307187       0.29423121       0.14795549
O        1.28504000       2.79154000       7.21591000      -0.95537558      -1.76965496       1.05190784
Zn       3.04618000       4.88978000      26.94210000      -0.75541596       1.18204205       1.18318070
Zn       2.65288000       1.69745000       8.09292000       0.65129056      -0.33764613      -1.13797069
Zn      -0.10365000       3.34346000      17.58976000       0.82643265       0.26009637       0.22354433
Zn      -2.66174000       4.91001000      23.77387000      -0.66522783       0.79007745      -1.36830575
Zn       2.72724000       1.84004000       4.31625000       0.41703391       0.00992835       0.81023276
Zn      -0.17632000       3.66006000      14.35688000       0.21426293      -3.24803658      -1.87994929
Zn      -2.93685000       5.10198000      13.56004000      -0.67363093       0.21094455      -1.20841600
Zn       3.50698000       1.64639000      22.95439000      -0.69447983      -0.29928676      -0.54787314
Zn      -0.15442000       3.62855000       3.71161000       1.28982030      -1.04687149       0.83017834
Zn       2.77989000       5.01769000       9.46001000      -0.38684995       1.25315138      -0.77423491
Zn       3.14536000       1.59284000      18.95113000      -0.83457123       0.68797255      -0.68097446
Zn      -0.04993000       3.32136000      28.27096000       0.43146019      -0.40216070       0.96770790
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.74508919 magmom=71.9995234 free_energy=-552.74508919 stress="-0.034617012856114696 0.0032634506471510235 0.006949020011564509 0.0032634506471510235 -0.04018030276702937 -0.003918308517612343 0.006949020011564509 -0.003918308517612343 -0.029024699122609993" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41912000       0.93529000      15.88908000       0.71534299       0.10172578      -0.55232958
Cr       4.37724000       0.91586000      15.97936000       0.44821722       0.01085347      -1.04984052
Cr       2.88001000       3.53094000      15.77535000      -1.66948604      -1.81421176      -0.69851220
Cr      -1.36971000       2.47974000      25.31562000       0.49661083      -0.73351527      -0.99358885
Cr       1.55146000       2.44257000      25.28764000       2.35711580       0.05770162       2.29882141
Cr       0.19322000       5.05703000      25.45563000      -0.63688461      -0.46595035      -0.37777541
Cr       1.47524000       4.37933000       6.25429000      -1.18523869       0.79618116      -0.45780878
Cr      -1.56564000       4.33860000       6.33265000       0.23259556       1.49293774      -1.17678043
Cr      -0.10146000       1.97944000       6.18639000      -0.06456341      -2.82561520      -1.81908242
Cr      -2.85394000       5.04869000      18.39124000       0.18068150       0.80546510      -2.64863427
Cr       2.97236000       1.55312000      27.78465000       1.12521981       1.42600123      -0.78538482
Cr      -0.22983000       3.26044000       8.56753000       2.17951246       1.58446890       2.30019224
Cr      -0.06500000       0.22277000       3.87685000      -0.82027881      -0.21618663       1.12999607
Cr       2.90625000       1.74349000      13.34481000      -0.65204421      -0.77302098       2.29690106
Cr       0.18567000       3.45118000      23.03005000       0.91282517      -0.95390750      -2.28793716
Cr       0.11175000       1.67935000      20.68965000       2.77680758       1.38092709      -0.33260856
Cr       1.61758000       4.24312000      20.57362000      -0.04200439      -0.87021248       2.35339260
Cr      -1.37979000       4.20505000      20.63558000       2.49561929       0.38362455       0.46712911
Cr       3.12595000       3.41714000       1.49273000      -1.67571048       2.27086999      -0.45763278
Cr       1.43148000       0.98025000       1.46139000      -1.35083767      -0.13408763      -0.78155101
Cr       4.34873000       0.74124000       1.54231000       0.70086121       1.14411566      -0.73548583
Cr      -0.19261000       5.08910000      11.08650000      -0.11392886      -1.80309623      -0.11108637
Cr       4.40032000       2.39630000      11.09243000      -0.24254605       1.53528875      -0.71067486
Cr       1.35755000       2.45037000      11.12736000      -0.51573149       2.60292004      -1.11746242
O        1.55587000       0.82375000      19.57649000      -1.96609287      -1.88390191      -0.45622929
O        4.71904000       0.79111000      19.57901000      -0.47264556      -0.11085991      -1.17539313
O        3.10848000       3.42573000      19.49222000       0.20870265       1.99009249       0.19890121
O        4.39767000       2.40265000       0.37375000      -1.59811903      -0.50838149       0.01823861
O        1.71370000       2.64323000       0.28343000       0.89502198      -1.66357609       0.18409834
O       -0.11702000       5.07643000       0.32310000       0.20802887       2.69455917       1.05220589
O        0.95213000       4.05375000       9.92613000       2.48383699       0.70583321      -0.15114569
O       -1.56181000       3.99557000       9.71454000      -0.25572484       0.52742832       1.91008653
O        0.03235000       1.70442000       9.91601000      -1.52343485       0.38628338      -0.41528716
O        1.35477000       0.90917000      12.16378000       1.41600339      -1.51480670       1.85929036
O        4.29558000       0.87926000      12.30551000      -0.66273989      -0.95602875      -0.49044889
O        2.87474000       3.22272000      12.19281000       0.28453981       0.98728033      -0.33404217
O       -1.15805000       2.55087000      21.77798000      -0.42271791       1.51728959       0.41158150
O        1.54023000       2.67191000      21.74795000      -0.27253031      -0.27554801       0.44550698
O        0.28670000       4.96177000      21.82940000      -1.11743748       0.71142717      -0.21039293
O        1.53904000       4.40830000       2.77110000       0.04094636      -1.12037738      -0.23226017
O       -1.71091000       4.64799000       2.68639000       1.86715407      -2.62018511       0.03027244
O       -0.00558000       1.66999000       2.58461000      -1.08268238       1.05735149       0.07555542
O        1.23360000       0.99256000       5.15713000       0.74752755      -0.38710836      -0.18443040
O        4.42087000       0.95045000       5.14849000      -0.04905012       0.09074086      -0.65427735
O        2.97555000       3.72998000       5.12091000      -0.84506250      -0.37732495      -0.48797374
O        4.15555000       2.51733000      14.81300000       1.34298276      -0.15309560      -1.21810310
O        1.53369000       2.45815000      14.62243000      -0.80743047       1.14419971       0.97963347
O        2.95951000       0.33414000      14.72131000      -0.48281327      -1.12307240       0.67646518
O        1.45053000       4.17087000      24.33131000       1.77906486      -0.05002664      -0.41404330
O       -1.11706000       4.11575000      24.31757000      -0.95134857       0.83490372      -0.40806030
O        0.28120000       1.82798000      24.13698000      -2.19303196      -1.57286637      -0.59808027
O        0.24538000       0.02095000      21.65108000      -1.17244168      -0.96450081       1.36792623
O        2.89477000       1.78581000       2.43705000       0.59960307      -0.66697387       1.03742267
O       -0.14657000       3.29880000      12.22737000       0.03892819       0.89660449      -0.45220710
O        5.79409000       0.15590000       7.26103000       0.44104251       0.11381360       1.05875667
O        3.01260000       1.71983000      17.01744000      -1.45722237       0.43447213      -1.30281813
O        0.02770000       3.08530000      26.42330000       1.65057099       1.96326234       0.00349658
O        5.77482000       0.05567000       0.39997000       1.43726718      -0.71146448      -0.09385824
O        2.87479000       1.67849000      10.01057000      -0.28735997      -0.64353908       0.15798784
O        0.19540000       3.45306000      19.53256000      -1.31678411      -0.54533740      -0.23468406
O       -0.01589000       1.55272000      17.11152000       0.10280056      -0.96665473      -0.37968345
O        1.58035000       4.33993000      16.92790000      -0.23623505       0.41730466       1.21887404
O       -1.70847000       4.29271000      16.80867000       1.82655992       1.26168714       2.15854594
O        3.15090000       3.04660000      26.45651000      -1.72250731       1.07573809       0.18847460
O        1.72256000       0.79019000      26.43079000      -0.30479729       0.48209316       0.20872586
O        4.46598000       0.98578000      26.42439000      -0.26417757      -2.57378226       1.31023015
O       -0.03982000       5.02297000       7.34613000      -0.31080037      -1.11188814       0.56886275
O       -1.42564000       2.65130000       7.30390000      -2.64568037       0.01522373      -0.01149253
O        1.24145000       2.73688000       7.31822000       0.72255641       0.11179017       0.59128258
Zn      -2.83548000       4.91899000      26.92923000      -0.46590394       0.51730821       1.39425714
Zn       2.65298000       1.64372000       8.03778000       0.73188413       0.56938539       0.33027545
Zn      -0.06617000       3.39668000      17.50210000       0.25045701       0.76727188       1.02501985
Zn      -2.73405000       4.94709000      23.72269000      -0.29484382       0.70980905      -1.09606953
Zn       2.69058000       1.96496000       4.33394000       0.83880961      -0.53448254       0.96368114
Zn      -0.23028000       3.61073000      14.31421000       0.98168729      -1.20221053      -1.47926210
Zn       2.96702000       4.99978000      13.49026000      -0.39222911       0.52838387      -1.23885770
Zn       3.55330000       1.63863000      22.92665000      -1.97648805      -0.80813190       0.03002872
Zn      -0.11124000       3.63994000       3.80912000       0.20582322      -0.10888168      -0.33868152
Zn       2.65821000       5.00342000       9.40676000      -0.00405901      -0.71743195      -0.59534498
Zn       3.06445000       1.66228000      18.90509000       0.71875736      -0.61402353       0.18886746
Zn       0.02946000       3.33584000      28.40399000       0.08168057      -1.02835185      -0.74368060
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.81559207 magmom=72.0000885 free_energy=-553.81559207 stress="-0.05111394616974803 -0.001774390321948705 0.0036298349847947056 -0.001774390321948705 -0.03304640046086984 -0.010960793786412489 0.0036298349847947056 -0.010960793786412489 -0.033997789096936" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46936000       0.96734000      15.85560000      -2.52364479      -1.72913193       0.30544825
Cr       4.44206000       0.94594000      15.94694000      -1.04976277      -0.95307856      -1.19104026
Cr       2.75347000       3.44977000      15.80591000       2.05333423       0.36038292       0.01294334
Cr       4.50902000       2.38376000      25.25844000       0.39899259       0.48774723       0.44045339
Cr       1.57650000       2.49419000      25.40876000      -0.27034277      -1.23425271      -1.11680107
Cr       0.19169000       4.99868000      25.41838000      -1.95729890      -0.47600392      -1.96145720
Cr       1.42840000       4.42630000       6.35478000       1.88639049       0.17059526      -0.69149330
Cr      -1.44457000       4.32819000       6.27743000      -2.39683584       1.14287093      -0.92782767
Cr      -0.04995000       1.94760000       6.14181000      -0.75503798      -0.50274126       2.03996020
Cr      -2.86964000       5.03763000      18.32442000      -0.82325504       1.35639636      -2.00926593
Cr       3.08459000       1.62809000      27.70303000       0.36218410      -0.67805259       0.82039901
Cr      -0.12648000       3.30859000       8.64080000      -2.01446132       0.18218122       0.15340862
Cr      -0.13093000       0.26048000       3.95338000       1.52400288      -2.29841655      -2.50147239
Cr       2.91616000       1.71210000      13.45439000      -0.61331054       0.69406803      -0.57188167
Cr       0.13316000       3.35883000      23.00343000       1.96823015       1.62910303       1.20907221
Cr       0.16084000       1.69197000      20.67232000      -1.91859457       0.02259962       1.11693069
Cr       1.54508000       4.18575000      20.60601000       0.82874737       0.64062580       1.50178324
Cr      -1.34996000       4.22063000      20.65278000       0.45095186       1.61877730       0.54629408
Cr       3.04503000       3.42416000       1.51328000      -0.82556583       1.60570196       0.14139059
Cr       1.43858000       1.01338000       1.51692000      -0.03913485      -1.95417388       0.19628615
Cr       4.33827000       0.78200000       1.57108000       3.04070940       1.02504899       0.38476799
Cr      -0.13875000       5.04189000      11.16356000       0.01882191      -0.97214334      -1.55783704
Cr       4.43126000       2.43422000      10.99198000      -2.40387250      -0.71462940       1.49821978
Cr       1.34292000       2.51196000      11.01025000       1.71282816      -1.43565432       2.19915564
O        1.28346000       0.87422000      19.47950000       2.81898328      -1.37773224      -0.76833821
O        4.54820000       0.67464000      19.40949000       0.50445338       0.45528419       0.99108320
O        3.10714000       3.57409000      19.54395000      -0.40220957      -1.58910601      -0.45929364
O        4.29714000       2.43298000       0.46510000       1.27979447       0.52892618      -1.55030796
O        1.80900000       2.48433000       0.25883000      -1.27941028       0.74540537       0.25580298
O        2.99170000       0.17817000       0.51248000      -1.87673490      -1.74446267      -2.46272101
O        1.13918000       4.02811000       9.85610000      -0.60844961       0.25670183       0.89856288
O       -1.50715000       3.99990000       9.92379000       0.05833608       1.05442452      -0.88247433
O        0.02040000       1.67309000       9.81130000      -0.94016742       0.94401965       0.45956842
O        1.63002000       0.87740000      12.24057000      -2.41078463       0.52433945       1.27719826
O        4.14934000       0.85148000      12.23540000       1.83725978      -0.29500670       0.66158141
O        2.87611000       3.24387000      12.18413000       0.01707130       0.06289015      -0.06733373
O       -1.14120000       2.71748000      21.84376000      -1.62259591      -1.66956915      -1.03914390
O        1.47066000       2.56341000      21.85963000       0.70528172       0.26376506      -0.98924471
O        0.22002000       5.01550000      21.82695000      -0.53069979      -0.46306135      -0.26188098
O        1.47468000       4.40193000       2.83275000       0.55745590      -0.77494503      -0.26980455
O       -1.68760000       4.41170000       2.63986000       0.78822882       0.82067893       1.45554770
O       -0.09610000       1.63846000       2.56260000       0.52394163       1.05524303       1.19579272
O        1.26156000       1.06093000       5.10555000       0.87334042      -1.18067651       0.14435766
O        4.52996000       1.04886000       5.10504000      -1.97031211      -0.50280262       0.92336433
O        2.95252000       3.74243000       5.19479000      -0.86462013       0.78056770       0.01720084
O        4.20114000       2.59485000      14.77744000      -1.02257597      -1.30424356       0.12210177
O        1.37593000       2.54258000      14.66433000       1.42465572      -0.02174697       0.37195170
O        2.85556000       0.29380000      14.83421000       1.74295181      -1.59146999      -1.48589435
O        1.57726000       4.12391000      24.36468000      -0.97496641      -0.42399189      -0.91279037
O       -1.28197000       4.06556000      24.23135000       1.04925559       0.07806682       0.51484007
O        0.16874000       1.77373000      24.16377000      -0.29938715       0.00214250       0.71369406
O       -2.77247000       5.06236000      21.68832000      -0.92736700       0.18935174      -0.51485576
O        3.02241000       1.75988000       2.55634000      -1.44426505       0.35204855       0.34517064
O       -0.19233000       3.39562000      12.09581000       1.14187869      -1.31595247       1.11768250
O        0.09540000       0.18436000       7.39040000      -1.10933123      -0.38015791      -1.16631982
O        2.87252000       1.66423000      16.89111000       0.77615431       1.55582805       0.93214897
O        0.07708000       3.31601000      26.36807000      -0.16169813      -0.58643564       1.22638710
O        0.06231000       0.15100000       0.38044000      -0.53924084      -1.19058699       0.49026750
O        2.85054000       1.50648000      10.11710000       0.12668005       1.75893924      -2.42472390
O        0.06919000       3.35082000      19.59478000       0.11962950       0.27034475      -0.81633546
O        0.00864000       1.54008000      16.97063000      -0.05378589       0.70806172       1.14087801
O        1.63361000       4.31774000      17.03104000      -0.55745808       1.06044027       0.10022825
O       -1.60337000       4.37193000      16.96998000      -0.64703216      -0.11149693      -0.73733646
O        3.03759000       3.11568000      26.41593000       1.28250743       0.11301811       0.56846616
O        1.76303000       0.81008000      26.44906000      -0.24252419       0.16051555       0.30363582
O        4.46138000       0.71044000      26.41227000      -0.36583397       2.20408540       0.93722317
O       -0.07878000       4.94905000       7.40367000       0.68176276       0.22335283       1.07132760
O        4.34072000       2.70103000       7.28142000       0.98911093      -0.49743605       0.66437902
O        1.23393000       2.70458000       7.44149000       0.64631100       0.74479927      -1.26416364
Zn      -2.83566000       4.97385000      26.99059000       1.03650728      -0.07141794       1.16991915
Zn       2.69448000       1.62542000       8.00342000       0.80958712       0.68865013       1.10614084
Zn      -0.01854000       3.47168000      17.47736000      -0.02125924      -0.66789374       1.19093679
Zn      -2.81376000       5.01618000      23.62005000       0.23645658       0.18230020      -0.42747398
Zn       2.70346000       2.04751000       4.39587000       1.14460275      -0.41734863       0.17274580
Zn      -0.22110000       3.49856000      14.19366000       1.05759045       0.97314936      -1.38801741
Zn       2.94711000       4.93375000      13.38200000      -0.28308374       0.47225472      -0.74645492
Zn       3.49667000       1.59474000      22.91174000      -1.45365379      -0.24307758      -0.13360923
Zn      -0.06145000       3.64021000       3.88586000      -0.36109816      -0.03058825      -1.03962785
Zn       2.55886000       4.96329000       9.32879000       3.00383507       0.73747221      -0.75170634
Zn       3.01583000       1.70064000      18.87285000      -0.31115340      -0.02482070       0.26374797
Zn       0.09954000       3.31275000      28.49438000      -0.60600053       0.52113980      -0.28151741
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.11269741 magmom=71.9982772 free_energy=-554.11269741 stress="-0.028802754771791513 -0.009744481730237965 -0.006027826492173965 -0.009744481730237965 -0.03562449807281572 0.0023628816391726495 -0.006027826492173965 0.0023628816391726495 -0.034793950458573565" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39024000       0.88503000      15.84712000       0.87508843      -0.42289980      -0.82288874
Cr       4.45980000       0.91341000      15.86623000      -1.39873414      -0.67081989      -0.20792474
Cr       2.74918000       3.41786000      15.86156000       2.50008024       2.90023308       0.28537686
Cr       4.47903000       2.31271000      25.26495000      -0.53803029       2.26715196       1.17314488
Cr       1.62006000       2.47620000      25.52495000      -1.62494934       0.56559359      -2.10412689
Cr       0.08309000       4.95334000      25.32136000       0.37522385       0.69678128       0.33999177
Cr       1.46486000       4.49330000       6.42506000      -1.15625369      -0.02798598      -0.68166175
Cr      -1.44983000       4.37562000       6.18925000      -0.07051707      -0.53502588       1.32206807
Cr      -0.04486000       1.87029000       6.19480000      -0.01736347       0.52022808       0.77182592
Cr      -2.94056000       5.10436000      18.19064000       0.20907696       0.43092732       2.95567677
Cr       3.20241000       1.67050000      27.65089000      -2.38858457      -0.48732656       2.82080528
Cr      -0.11717000       3.38000000       8.73187000      -1.09102375      -0.29982577      -1.47564981
Cr       5.77649000       0.17784000       3.90681000       1.12473923      -0.06808154       0.57580115
Cr       2.88919000       1.70019000      13.53320000      -0.23525774      -1.03790450      -1.37124673
Cr       0.17689000       3.33426000      23.00182000      -1.76039712      -0.67165519      -0.21604857
Cr       0.12783000       1.68609000      20.66683000      -2.11728634      -1.06585924      -1.72575784
Cr       1.53763000       4.17274000      20.68419000      -0.43937749      -0.17657513      -2.63870336
Cr      -1.31751000       4.31944000      20.65806000      -2.52370698      -1.47629285      -1.46800208
Cr       2.93504000       3.52361000       1.53525000       1.10343874      -2.82531712       0.82501768
Cr       1.44702000       0.93335000       1.56795000       1.89094221      -0.45336153       0.71236383
Cr       4.45973000       0.90046000       1.57235000      -1.69157297       0.48879299      -0.42383973
Cr      -0.09148000       4.96685000      11.17406000      -0.37912307       1.98960402       0.49038692
Cr       4.31577000       2.45079000      10.98506000      -0.19752140      -0.22857284       1.69763039
Cr       1.42745000       2.49465000      11.01472000      -0.39354948      -2.53037586       1.81782752
O        1.41696000       0.68865000      19.34348000      -0.30008210       0.80536807       1.48231596
O        4.49810000       0.63931000      19.43824000       0.86896707       0.72528389       0.62568104
O        3.04781000       3.51486000      19.53751000      -0.17011912       0.77165036      -0.50525189
O        4.33006000       2.55089000       0.34644000       0.31043964      -0.43057340       0.89047892
O        1.75829000       2.39940000       0.30179000      -0.28132199       1.11839476       0.21585800
O        2.92110000       0.18444000       0.37613000       1.13526077      -0.45305427       0.53100170
O        1.20093000       4.03041000       9.98553000       0.50466847       1.45452857      -0.77683342
O       -1.42496000       4.15905000      10.02495000      -1.31506426      -0.02082498      -1.21402142
O       -0.18392000       1.86698000       9.83644000       1.10414400      -2.55505764       0.24363245
O        1.57839000       0.86435000      12.47801000      -0.98811903      -0.65921687      -2.34123301
O        4.22975000       0.78996000      12.23934000       0.15777865       0.54508946       0.08642936
O        2.88364000       3.20916000      12.13548000      -0.08515917      -0.15532096       0.68922264
O       -1.29288000       2.68568000      21.76482000       0.51973158      -1.12008299       0.84686955
O        1.43218000       2.53600000      21.78208000       1.01973009      -0.34571212       0.47490635
O        0.07134000       4.92538000      21.79471000       1.07471516       0.80370179       1.24758705
O        1.58174000       4.32302000       2.78266000      -0.52698071       0.55793294      -0.84245431
O       -1.58737000       4.28269000       2.80375000      -0.97381460       1.46301932      -0.33527544
O       -0.09156000       1.71903000       2.73877000       0.81924768      -0.16112103      -0.71792219
O        1.36838000       0.89013000       5.10838000      -0.48618582       0.82007222       0.01756201
O        4.40805000       0.99881000       5.20633000       0.11951149      -0.03345631      -0.41899549
O        2.78551000       3.90500000       5.25166000       1.32576722      -2.15225249      -1.39110335
O        4.09804000       2.42233000      14.75264000       2.30616486       2.20468111      -0.23640193
O        1.48974000       2.58986000      14.80948000      -1.22737398      -1.20535802      -1.81859192
O        2.99849000       0.04441000      14.74433000      -0.69909333       1.52592621       0.50188174
O        1.50533000       3.96832000      24.23781000       0.42934505       1.09065472       0.48134272
O       -1.23754000       4.01889000      24.24124000      -0.76102281       0.60720033      -0.42139768
O       -0.00877000       1.73597000      24.28507000       2.73687866      -0.65649815      -0.96467024
O        2.89171000       5.03499000      21.61197000       2.09206612       1.19240099       1.02185265
O        2.92397000       1.74974000       2.61205000       0.31853154       0.33167464      -0.81568059
O       -0.04578000       3.26142000      12.08189000      -0.53323550      -0.24265284       0.25904584
O        0.08932000       0.13335000       7.28947000      -0.37322414       0.70638517       0.88447833
O        2.83425000       1.84054000      16.80858000       0.55839850      -1.85009454       1.75378767
O        0.15840000       3.44242000      26.46436000      -0.30967874      -1.70165354       0.30468679
O        0.14349000       0.01426000       0.52239000      -1.80580410       0.75079716      -0.88860735
O        2.83992000       1.61341000       9.89284000       0.08135291      -0.13571975       1.93395194
O       -0.03343000       3.29888000      19.58777000       1.19281613       0.65492729      -0.37449373
O        0.00173000       1.61224000      16.97216000      -0.30721873       0.37526560       0.15912948
O        1.58133000       4.48972000      17.08184000      -0.35577866      -1.04120866      -1.62013641
O       -1.59777000       4.45650000      16.98724000      -0.25251586      -1.51466282      -1.01631707
O        3.13067000       3.21669000      26.43748000       0.14296245      -0.35780223       0.12033895
O        1.75712000       0.85033000      26.49234000       0.16230788      -0.51897361       0.16465778
O        4.38104000       0.76039000      26.50352000       1.11869895      -0.11812824      -1.01044394
O       -0.03307000       4.85303000       7.57213000      -0.65928981       2.72803997      -1.29815776
O       -1.48428000       2.73129000       7.32870000       0.49185710      -0.31412752       0.05569520
O        1.28868000       2.82220000       7.34580000       0.37104772      -1.50036677       0.68320502
Zn      -2.79016000       5.03333000      27.12076000       0.03079107       0.13705568       0.34410751
Zn       2.78096000       1.65126000       8.02252000       0.18146675       0.66022603      -0.90820098
Zn       0.02536000       3.52179000      17.52044000      -0.76443755      -0.53986705       1.14552203
Zn      -2.88444000       5.09399000      23.49367000       0.52076730      -0.99739088       0.83530754
Zn       2.78001000       2.11160000       4.48602000       0.56835755      -0.64735104       0.29478056
Zn      -0.15447000       3.41808000      13.99604000      -0.12404590      -0.57702431       0.45145204
Zn       2.90983000       4.89511000      13.23951000      -0.18198462       1.00245627       0.15471485
Zn       3.34994000       1.53192000      22.89836000      -0.77369844       0.39823050      -0.56434602
Zn      -0.02930000       3.63569000       3.92784000      -0.19341742      -0.32445310      -0.65541329
Zn       2.61684000       4.95916000       9.19619000       1.92305100       1.09029507       0.43058918
Zn       2.95809000       1.73420000      18.85593000       0.55351015      -0.24543778      -0.08534389
Zn       0.13941000       3.31630000      28.56561000      -0.34700789       1.17275314      -0.76284631
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.04664624 magmom=71.9993097 free_energy=-552.04664624 stress="-0.024625356023669675 -7.182699991124475e-05 0.005634827030176074 -7.182699991124475e-05 -0.043433207098761334 0.004591638184263786 0.005634827030176074 0.004591638184263786 -0.04527911974759481" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31281000       0.76367000      15.82566000       2.18868647       2.65967727      -1.10015713
Cr       4.40758000       0.85475000      15.77673000      -0.14966230       2.86117148      -0.28095810
Cr       2.88396000       3.52035000      15.95276000      -1.27927007      -3.89566229      -3.82371084
Cr       4.42644000       2.35665000      25.36676000       3.37683341       1.21578520      -2.37273519
Cr       1.60403000       2.46341000      25.56730000      -0.27706741       0.73595496      -2.46660240
Cr      -0.01732000       4.95699000      25.26572000       2.23066100       0.10961231       1.55233749
Cr       1.44106000       4.53179000       6.44722000      -1.51175553      -2.18205669      -1.53262354
Cr      -1.47207000       4.38749000       6.17910000       0.65652541      -0.73633710       1.34884990
Cr      -0.04380000       1.82822000       6.30224000       1.19763562       0.72199619      -2.06026112
Cr       5.83194000       0.08875000      18.15895000       0.87786040      -0.42944115       1.83395183
Cr       3.19829000       1.69082000      27.69013000      -1.40195084      -0.72299909       1.47091018
Cr      -0.17068000       3.44754000       8.75451000       1.82743202      -0.17179243       0.64391458
Cr       5.84700000       0.08260000       3.86717000      -1.48892221       2.59740559       1.69243685
Cr       2.85296000       1.63020000      13.53201000       0.92663212      -0.19726783      -0.01593919
Cr       0.13618000       3.26641000      22.99299000      -0.85935989      -1.57495910      -0.17383306
Cr      -0.02483000       1.63485000      20.56585000       1.91532314       2.33893248       1.10105585
Cr       1.53417000       4.16733000      20.63418000      -0.42639860       0.05893306       0.53173451
Cr      -1.41105000       4.33204000      20.59770000       0.34320675      -3.26908391       1.65732897
Cr       2.88631000       3.47194000       1.58956000       1.29074700      -0.46651011      -1.14631429
Cr       1.55094000       0.80850000       1.63826000      -0.67421631       0.94820219      -1.78989289
Cr       4.50750000       1.07091000       1.53664000      -0.82255066      -1.85279648       0.74029443
Cr      -0.07007000       4.99700000      11.19910000      -0.25753056      -0.49316169      -0.56587441
Cr       4.19977000       2.44027000      11.07736000       4.55449743       0.71879204      -0.46491041
Cr       1.48379000       2.34364000      11.12592000      -4.05131721       1.04168724      -1.69933110
O        1.51530000       0.65121000      19.46231000      -1.72163813       1.67166198      -1.59506620
O        4.60656000       0.72956000      19.56601000      -1.77009238      -0.00155111      -2.30066738
O        2.94922000       3.60563000      19.42380000       0.68815099       0.11425642      -0.56333104
O        4.38275000       2.57980000       0.36682000      -0.63531775       0.29550991       0.46813601
O        1.69900000       2.45407000       0.44486000       0.66222857      -0.75692795      -0.64366623
O        2.97821000       0.14303000       0.30161000       0.41488119       1.07602724       1.44736073
O        1.21322000       4.12989000      10.05816000       0.91352958      -0.40587429      -1.18106547
O       -1.49320000       4.30315000       9.90960000       0.23919535      -1.40505804       0.74352486
O       -0.24100000       1.75443000       9.91202000       0.74488713       0.56962728      -0.75474220
O        1.41758000       0.77151000      12.31620000       1.67126071      -0.26377941      -0.05767173
O        4.28715000       0.84597000      12.26020000      -1.19823562      -0.41913524       0.01392544
O        2.84580000       3.09226000      12.22622000      -0.27776371       1.32334717       1.13804231
O       -1.33100000       2.44923000      21.76633000       0.20008743       1.10770654       0.05046964
O        1.47345000       2.50211000      21.70793000      -0.16332194      -0.05129966       0.25601915
O        0.06266000       4.84979000      21.88225000       0.00112065       0.34988804      -1.07351371
O        1.63276000       4.41380000       2.60868000      -2.11613401       0.48928775       1.61356819
O       -1.66332000       4.43790000       2.89288000       1.88987287      -1.77497790      -1.45364370
O        0.07275000       1.69183000       2.78939000      -0.32723316       0.42828596      -0.72004674
O        1.33977000       0.83763000       5.14073000      -0.14316699       1.56711784      -0.45250096
O        4.34208000       0.92587000       5.27524000       0.84109620       0.91941856      -0.86918863
O        2.81119000       3.79855000       5.15397000       0.13605267       0.84359930       1.56481644
O        4.28789000       2.52743000      14.68551000      -1.10296825      -0.17953007       0.10051063
O        1.56433000       2.41737000      14.72608000      -0.70412020       0.61840480       0.19911490
O        3.03083000       0.07725000      14.69995000      -1.55775640      -0.56096178      -0.21440479
O        1.42966000       3.98155000      24.21481000       0.84512406       1.08706642       0.55675355
O       -1.26250000       4.02299000      24.19190000      -1.19032001      -0.15112400      -0.30035721
O        0.19761000       1.71013000      24.33124000      -0.55874684       0.04283510      -0.11942070
O        0.01794000       0.05308000      21.57395000       0.46524852      -1.62276650       0.08534358
O        2.90302000       1.79802000       2.49306000       1.52366770      -0.29000377       2.67769380
O        0.01609000       3.06796000      12.04113000      -1.80442332       2.19877085      -0.58122512
O        0.01194000       0.18273000       7.25426000       0.71987606      -0.47159807       0.34276448
O        2.92515000       1.79407000      16.93884000      -0.24538454      -0.74898611      -1.36336592
O        0.19003000       3.25990000      26.53438000      -1.20567316       0.57808285      -0.48991512
O        5.83310000       0.01625000       0.59254000       1.37729641       0.81264614      -0.81078300
O        2.85210000       1.73863000       9.99804000       0.04831324      -1.87908362      -0.81478106
O        0.06321000       3.37691000      19.57065000      -0.44574067       0.15997659      -0.26739456
O       -0.05136000       1.71067000      16.97618000       0.09863261      -1.70857312      -0.46751727
O        1.49104000       4.48454000      16.86686000       0.82642536      -1.01517636       1.91736798
O       -1.65481000       4.29243000      16.83509000       1.15456071       1.03766476       2.69379601
O        3.25918000       3.28034000      26.48869000      -2.06401579      -0.31822678       0.81640575
O        1.78866000       0.80718000      26.52562000       0.19212354       0.36909254       0.41126852
O        4.46305000       0.82194000      26.44270000      -0.62681234      -0.96863177       0.71108650
O       -0.09296000       5.09224000       7.52251000       0.03846504      -1.94091816      -0.72729635
O       -1.26502000       2.73910000       7.38094000      -2.70593313       0.19326196      -0.02433478
O        1.36993000       2.75163000       7.32399000      -0.35692019       0.38035264       1.00366095
Zn      -2.73289000       5.10313000      27.28833000      -0.52634905      -0.08885999      -0.44796036
Zn       2.89062000       1.72970000       8.01241000       0.17520320       1.87727790       0.56668883
Zn       0.03231000       3.54519000      17.63111000      -0.77760373      -0.43404742       0.29502579
Zn       0.01708000       0.01715000      23.40878000       0.23942911      -0.84099496       2.19654303
Zn       2.89931000       2.13078000       4.59573000      -0.19260312      -3.75044922      -1.35423108
Zn      -0.08459000       3.31491000      13.81594000       0.56429063       0.32248467       2.84309493
Zn       2.85601000       4.90443000      13.09715000      -0.28952153       0.49863855       0.67849987
Zn       3.14276000       1.48429000      22.86961000      -0.36697473       0.68348860      -0.12201236
Zn      -0.00879000       3.61213000       3.94427000       0.11005214      -0.32102502      -0.83330637
Zn       2.80817000       5.02903000       9.06945000      -0.52990018       0.34197389       2.72522481
Zn       2.92440000       1.75898000      18.83655000       0.84269905      -0.07903053       0.66511708
Zn       0.16083000       3.38395000      28.59993000      -0.20513905       0.47475649      -1.25808461
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.28844936 magmom=71.9998876 free_energy=-552.28844936 stress="-0.038864769608801426 0.007125780529926455 0.008247424590056783 0.007125780529926455 -0.028045453058454718 -0.006420304245148552 0.008247424590056783 -0.006420304245148552 -0.04936518534423993" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33645000       0.76756000      15.80418000       1.29496776       0.11801904       0.02428617
Cr       4.35296000       0.90358000      15.71746000       0.86450590      -1.49362835       0.38007191
Cr       2.97872000       3.47142000      15.89617000      -0.91034535      -1.77798078      -1.18464418
Cr      -1.40539000       2.46200000      25.44076000      -0.17912426      -1.03343812      -1.42812201
Cr       1.60095000       2.48441000      25.52371000       0.65553578       0.75232854      -1.44089495
Cr       0.00370000       4.97904000      25.31489000       1.28223126       0.06898247      -0.02991518
Cr       1.32914000       4.45025000       6.37792000       2.37892568      -0.89234082      -1.43769064
Cr      -1.45884000       4.35951000       6.24532000      -1.18743103       0.80786742      -1.02924117
Cr       0.00963000       1.85181000       6.31832000      -0.45500032       0.76560746      -0.58746935
Cr      -0.07682000       0.16006000      18.16762000       0.14529585      -1.54231336      -1.27499305
Cr       3.10756000       1.69379000      27.76351000       0.60711741       0.04427706       0.16648952
Cr      -0.13212000       3.49794000       8.78982000       2.08868933      -0.99448668      -1.50999588
Cr      -0.03617000       0.12226000       3.90292000      -0.40336226       0.80443368      -0.25814408
Cr       2.85699000       1.55166000      13.51645000      -0.45855033       1.35841006      -0.27369235
Cr       0.03816000       3.12578000      22.96774000       1.12828019       2.20594792       0.77200426
Cr      -0.08421000       1.67627000      20.48534000       1.85623260      -0.18356245       1.30563387
Cr       1.51072000       4.16527000      20.57579000       0.61059294       1.31471454       1.16244708
Cr      -1.49217000       4.17949000      20.58032000       1.92897815       0.36350998      -0.34587513
Cr       2.89828000       3.38485000       1.60717000       0.13506782       3.14402490       1.29317320
Cr       1.64307000       0.75453000       1.62679000      -1.47456487       2.12353743       0.48917657
Cr       4.49804000       1.12893000       1.53307000       1.51008983      -1.93688232       2.74100597
Cr      -0.04756000       4.99675000      11.17228000       0.84643609       0.09365061      -3.72334752
Cr       4.30201000       2.45506000      11.14148000      -2.69830340      -0.34510788      -2.05824228
Cr       1.32279000       2.25493000      11.14704000       0.98743739       2.71952948      -1.96957439
O        1.26599000       0.82369000      19.40762000       1.29025288      -0.08477647      -0.36530749
O        4.43794000       0.82780000      19.36133000       0.75403973      -0.68587371       1.05011408
O        2.94556000       3.73261000      19.28263000      -0.03540191      -2.28839731       1.25174917
O        4.31179000       2.68232000       0.45059000       0.65516994       0.59456243      -1.00523084
O        1.76146000       2.37812000       0.47505000      -1.38920881       0.57981328      -1.19771170
O        3.11978000       0.28621000       0.48993000      -0.22542434      -1.93291723      -1.22808482
O        1.33936000       4.16979000       9.92716000      -0.34985380      -0.52598714       0.33392223
O       -1.47407000       4.13151000       9.92571000      -0.47414047       0.17277736       0.85712130
O       -0.14249000       1.76972000       9.89362000      -0.03111277       0.55135518       0.05430031
O        1.53530000       0.65809000      12.14118000      -1.92161672       0.42796062       2.43252144
O        4.12339000       0.86235000      12.25863000       2.28982824      -0.68634817       0.39019147
O        2.74812000       3.11037000      12.42074000       0.08778193       0.17097595      -2.23684762
O       -1.27414000       2.40382000      21.76709000      -1.79854575       0.69133058      -0.14657005
O        1.43840000       2.50911000      21.69368000       0.15494545      -0.32099193      -0.11918329
O        0.06549000       4.75728000      21.79667000      -0.54664115       0.51959402      -0.07955690
O        1.43759000       4.57173000       2.68606000       1.23939800      -1.43158156       0.60749631
O       -1.57673000       4.37639000       2.74760000      -0.45812990      -1.22332459       0.94757703
O        0.17088000       1.64494000       2.66321000      -0.45557813       0.69243459       0.65013907
O        1.26433000       1.02337000       5.12650000       1.34134332      -0.77142745       0.06158615
O        4.50060000       0.96082000       5.22658000       0.31821625      -0.37643937      -0.04380919
O        2.90392000       3.80508000       5.27501000      -0.95618331      -1.28193051      -1.05660983
O        4.25907000       2.60099000      14.64721000      -0.37829187      -1.07693453      -0.18634129
O        1.51558000       2.30779000      14.64282000      -0.51173809       1.48925139       0.47622490
O        2.81374000       0.09423000      14.68284000       0.85005113      -1.93894239       0.06620149
O        1.44582000       4.15778000      24.30751000      -0.46836087      -1.19618272      -0.84098625
O       -1.39651000       3.99174000      24.12594000       0.91148061       0.04927064       0.81930172
O        0.32608000       1.72972000      24.32402000      -1.97397747      -0.65161770      -0.60422439
O       -2.75936000       5.09490000      21.52871000      -2.78275019       0.33223600       0.97182983
O        3.10966000       1.80331000       2.73166000      -1.16084178       0.13307143      -0.92937277
O       -0.18002000       3.28498000      11.89576000       2.10352491      -0.44457066       3.28857360
O        0.02257000       0.16968000       7.21758000      -0.48499533      -0.57571616       0.75899617
O        2.96625000       1.59270000      16.81476000      -1.16998945       1.22135849       0.51568249
O        0.04129000       3.16429000      26.43774000       0.41884767       1.70983456       1.47010718
O       -0.05693000       0.18349000       0.57490000       1.44603477      -1.39871468       1.11494134
O        2.87328000       1.58099000      10.12994000      -0.33572739       0.17348916      -1.20930151
O        0.07235000       3.46890000      19.58767000      -1.13345034      -1.24390292      -0.08083741
O       -0.08329000       1.55549000      16.85345000      -0.02301573       1.26178142       0.31158723
O        1.54340000       4.32605000      16.87049000       0.45051082       0.83510967       0.33965204
O       -1.57337000       4.27308000      17.04732000      -1.58400193       1.28013824      -0.69767401
O        3.07088000       3.27201000      26.58933000       0.31419880      -0.34383391      -0.13734258
O        1.84266000       0.81478000      26.57336000      -1.19016700       0.29721126       0.29386787
O        4.46585000       0.73600000      26.43538000      -0.96320411       0.94236488       0.73171666
O       -0.14345000       5.05251000       7.33686000       0.70901736       1.38918775       2.69179294
O       -1.39979000       2.78086000       7.41485000       0.81551581       0.07662296      -0.21242599
O        1.32062000       2.73976000       7.46837000      -0.31345325       0.68592999       0.07289444
Zn       0.24945000       0.05920000      27.42826000      -0.49208847      -0.47170879      -2.76609549
Zn       3.00952000       1.88880000       8.01508000      -1.52084527      -1.02349384       1.15319807
Zn       0.00004000       3.53977000      17.75259000       0.52283251      -0.73115000      -1.81297481
Zn       5.88015000       0.00437000      23.43360000       0.24227973      -0.65780235       1.07998108
Zn       3.01147000       1.98059000       4.64901000      -0.92387769      -0.27973908      -0.21645864
Zn       0.01531000       3.22022000      13.77138000      -0.08225965       0.57420266       2.15162007
Zn       2.78701000       4.94844000      12.99232000       0.22684635       0.40026095       1.09638064
Zn       2.90939000       1.46924000      22.83821000       0.19262304       0.15643154      -0.16551961
Zn       0.01813000       3.57066000       3.92793000       0.13909977       0.01169992      -1.01312893
Zn       0.03263000       0.00759000       9.07389000      -0.79352990      -0.43658417       1.69791079
Zn       2.93103000       1.78011000      18.83735000      -1.12187462       0.41148974      -0.71512485
Zn       0.17219000       3.48551000      28.57425000       0.02273625      -0.23595717      -0.45490521
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.96977261 magmom=72.2142081 free_energy=-551.9786254 stress="-0.04117509998183592 0.0031341832072750214 -0.005137982650058653 0.0031341832072750214 -0.030845530142190925 -0.006124579926213339 -0.005137982650058653 -0.006124579926213339 -0.048792294541762926" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41124000       0.78287000      15.81873000      -1.41495875      -0.56185766      -0.96774373
Cr       4.35783000       0.86491000      15.71626000       0.23384709      -2.78866708       0.03266093
Cr       2.98188000       3.33669000      15.79153000      -1.59301251       1.99298157       0.65489473
Cr      -1.36440000       2.49412000      25.48377000      -1.22034101      -0.75760667      -0.35312108
Cr       1.64060000       2.52627000      25.42624000      -1.69127859      -0.76651924      -0.36776135
Cr       0.09864000       5.02130000      25.38554000      -1.66721313       0.16967668      -0.11087866
Cr       1.32631000       4.32356000       6.24423000       1.22015442       1.76475461       1.04027492
Cr      -1.49040000       4.38431000       6.27520000      -0.25580917       1.88262576      -0.48098712
Cr       0.05134000       1.91561000       6.29381000      -0.62537289      -0.78952660       0.56086429
Cr      -0.06828000       0.14746000      18.11717000      -0.92677231      -0.96608549       0.72380457
Cr       3.06129000       1.70993000      27.81826000       0.14813032       0.27376207       0.33477537
Cr       0.00837000       3.50397000       8.75178000      -2.50455231       0.67194631      -0.82633539
Cr      -0.03675000       0.21243000       3.93030000       2.54251038      -2.11619722      -0.17156982
Cr       2.83454000       1.53933000      13.48198000      -1.43699742      -0.54045429      -1.05675256
Cr      -0.01024000       3.11193000      22.96756000       0.03558104       2.73019488      -0.71814721
Cr      -0.02893000       1.69034000      20.46849000      -0.82765794      -2.07325591       2.11081903
Cr       1.50231000       4.22685000      20.56990000      -1.58339453      -0.67393636      -0.51525059
Cr      -1.49533000       4.06119000      20.57263000      -1.62742933       2.73755861       0.84054452
Cr       2.92928000       3.46534000       1.66739000      -0.23792256      -0.10547169      -0.41819336
Cr       1.65260000       0.81961000       1.63382000       0.71462917       0.74224735       1.25171460
Cr       4.55442000       1.05740000       1.64621000       0.06422779      -0.10142727      -0.49255873
Cr       0.00591000       4.99167000      10.98642000      -0.84452599      -0.01571915       2.54643893
Cr       4.30846000       2.45757000      11.11718000      -1.53825951      -0.55174275       0.83208296
Cr       1.22283000       2.32293000      11.07735000       3.98737124       1.27900363       1.77580784
O        1.23122000       0.97205000      19.27469000       0.73545559      -1.15798361       0.54530074
O        4.38407000       0.72677000      19.30339000       0.76373694       0.23079275       1.14400204
O        2.94766000       3.55262000      19.36861000      -0.16255294       1.65170614       0.12044603
O       -1.59227000       2.86060000       0.39639000      -0.09282330      -2.44608256       0.30851489
O        1.63420000       2.38373000       0.32676000       0.47566119       0.46851616       1.63300808
O        3.19218000       0.18858000       0.53346000      -0.33448938       1.34452162      -0.06290562
O        1.37044000       4.10852000       9.86735000       0.85037658       0.28729925       1.24161279
O       -1.44517000       3.97956000      10.04824000      -0.47095586       2.41629170      -1.81139034
O       -0.09019000       1.90940000       9.86173000      -1.44409069      -2.06438714      -0.80852111
O        1.47046000       0.68227000      12.28499000      -0.02223317       0.81155931      -1.34908451
O        4.21469000       0.79954000      12.25194000      -0.73584679       0.72823266      -1.09085263
O        2.68976000       3.09884000      12.21744000       0.77907828      -0.25236173      -0.20008063
O       -1.41283000       2.53312000      21.72794000      -0.22010362      -1.21788343       0.31623554
O        1.36469000       2.51026000      21.66411000       0.19642493      -0.43270198       0.36105950
O       -0.03386000       4.72287000      21.68396000      -0.03554894       1.29336848       1.52458300
O        1.52678000       4.51107000       2.87479000       0.40461385      -0.33757451      -0.94363106
O       -1.56168000       4.18071000       2.71463000       0.52842764       2.05899519       1.58869712
O        0.16398000       1.66508000       2.66266000       0.24512739       1.01682779       1.23982550
O        1.36817000       1.04474000       5.16172000       0.23010608      -1.05835237       0.18276405
O        4.71470000       0.92901000       5.19466000      -2.34974685       0.53492392       0.44983736
O        2.86276000       3.69985000       5.25135000       0.57688978      -0.61556914      -1.08411693
O        4.10831000       2.41330000      14.58759000       2.13838238       0.21786148      -0.60112289
O        1.48457000       2.38025000      14.69867000       1.85880065      -0.27506939       0.19587623
O       -0.22092000       4.99347000      14.67076000       1.25305124       1.09810446       0.05160470
O        1.34719000       4.09488000      24.26711000       0.77857364      -0.42762692      -0.82293486
O       -1.31705000       3.95507000      24.23176000      -0.24475194       1.30365851      -0.09419429
O        0.10466000       1.72347000      24.27204000      -0.01788720      -0.48997482       1.09045777
O        2.89320000       5.02442000      21.53589000       1.20428002       0.81976807       0.90540703
O        3.12036000       1.81308000       2.72676000      -0.97637180      -0.36809878      -0.73899298
O       -0.13354000       3.42312000      12.13796000      -0.15153143      -1.43048655      -3.20458467
O       -0.03907000       0.08116000       7.24998000       0.01057317       0.61284574       0.69130713
O        2.84449000       1.61110000      16.68948000       1.17965104       0.73809255       2.21494511
O       -0.02229000       3.38024000      26.50352000       1.32477889      -0.06791007      -0.00042237
O        0.18743000       0.09964000       0.75589000      -2.13176228      -0.51654905      -2.04232597
O        2.83184000       1.48298000      10.01397000      -0.08817796       1.93776988      -0.66745104
O       -0.06770000       3.34608000      19.62552000       1.18387465       0.53619859      -1.61619212
O       -0.11853000       1.62044000      16.75978000       0.20825546       0.76245513       1.14792323
O        1.68141000       4.30150000      16.92313000      -1.41956456       0.05247476      -0.42126690
O       -1.65267000       4.48222000      17.12981000       1.30869052      -2.22349247      -1.84864099
O        2.92416000       3.24103000      26.62215000       1.51174348       0.70962163      -0.40484564
O        1.73510000       0.87657000      26.60441000       0.28738966       0.19890672      -0.87188626
O        4.28915000       0.81322000      26.55155000       1.78392774       0.45685686       0.51935512
O        2.88473000       0.00205000       7.50485000       0.10606973       0.30554999      -0.75973147
O       -1.36817000       2.87823000       7.36713000       0.35784954      -1.44222864       0.51559832
O        1.20645000       2.85642000       7.54532000       2.76911504      -1.45818579      -1.86493369
Zn       0.24612000       0.09799000      27.44011000      -1.26397077      -0.84615035      -0.78754731
Zn       3.04672000       1.99753000       8.08230000      -1.22945397      -1.16450757       0.50108104
Zn      -0.01396000       3.49810000      17.77624000       0.29558994       0.05973939      -2.27922976
Zn       2.90524000       5.06224000      23.52450000       0.41259570      -0.90159766      -0.05728948
Zn       3.07905000       1.79087000       4.68507000      -0.33537975       0.70128621      -0.50016555
Zn       0.10526000       3.16380000      13.85262000      -1.53923659       0.90348586       2.84585880
Zn       2.73424000       5.00611000      12.95562000       1.23816110      -1.04627660       1.46862636
Zn       2.69079000       1.46466000      22.80523000       0.81964483      -0.01836668      -0.42195165
Zn       0.04889000       3.52775000       3.87162000      -0.32794183      -0.09273330      -0.59630261
Zn       0.15743000       0.07259000       9.17419000      -0.64136924      -0.72545249       0.63564374
Zn       2.88411000       1.81738000      18.80928000      -0.08406534      -1.33321653      -0.99838688
Zn       0.18273000       3.56961000      28.51916000      -0.44799400      -1.28317477      -0.71397209
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.58559592 magmom=72.0020309 free_energy=-552.58559592 stress="-0.035245107503693265 0.001742197217062275 -0.008868164006104065 0.001742197217062275 -0.043029870255862364 0.008896193287905453 -0.008868164006104065 0.008896193287905453 -0.04629272715449175" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40387000       0.76973000      15.83220000       0.54987712       0.98099964      -0.65039098
Cr       4.40565000       0.68137000      15.74410000      -0.79071669       2.00813454      -1.16745350
Cr       2.91773000       3.32020000      15.74185000       2.80359983       1.39427824       0.94821679
Cr      -1.41490000       2.48408000      25.53808000       0.35953281       1.77295504      -0.44753079
Cr       1.61384000       2.52294000      25.33871000      -1.17578153      -0.61481103       0.48411528
Cr       0.12422000       5.09133000      25.45793000      -0.51955184       0.77185611      -1.51407863
Cr       1.42046000       4.29355000       6.16881000       0.52160143       1.84497242       0.97885457
Cr      -1.53466000       4.48668000       6.29740000       1.16617041      -2.66586810       1.80588819
Cr       0.05984000       1.92759000       6.29302000       0.15964883      -1.86242761      -0.47903690
Cr       5.81486000       0.09507000      18.09165000       0.98446023      -0.98907278       1.11203045
Cr       3.03839000       1.76516000      27.88680000      -0.76659392       0.27093326      -1.01298819
Cr       0.06397000       3.52101000       8.64661000      -0.29956463      -0.47852337       0.36405069
Cr       0.09164000       0.19309000       3.96233000       0.39743350      -1.56882805       1.70482882
Cr       2.75344000       1.51045000      13.38766000       2.42788776      -0.27349345      -0.54223049
Cr      -0.06504000       3.25431000      22.94068000      -1.16807884      -0.43371404       0.99299588
Cr      -0.00780000       1.57601000      20.52873000      -1.28488666       0.92776081       1.02494852
Cr       1.41012000       4.25482000      20.55616000      -1.06272481      -1.69177327       1.65405321
Cr      -1.55590000       4.09094000      20.61230000       0.16141676       1.63443748       0.43210025
Cr       2.97946000       3.53086000       1.70587000       0.99402008      -2.04809687      -0.92600235
Cr       1.65542000       0.92948000       1.67756000      -2.22704196      -1.49914620      -0.88370081
Cr       4.60807000       0.98495000       1.71926000      -0.90202167       0.64094075      -1.44879234
Cr       0.01436000       5.01313000      10.90925000      -1.61972218       0.22035898       1.61901569
Cr       4.22634000       2.44751000      11.08092000       3.07558242       1.15415033      -3.04408185
Cr       1.33339000       2.45335000      11.05950000      -0.91186167      -1.20865433      -2.43553329
O        1.30098000       0.85638000      19.26730000      -0.41375356      -1.35881111       0.77174405
O        4.53099000       0.64648000      19.45502000      -1.24747538       1.96912960      -1.62337487
O        2.90940000       3.61615000      19.47721000      -0.45787010      -0.60360063      -1.78097011
O        4.30380000       2.60577000       0.43032000       1.38743472       0.42057539       0.94553245
O        1.60487000       2.46610000       0.46018000       0.56371085       0.70017770       0.30648329
O        3.17172000       0.27070000       0.55563000      -0.56329034      -0.69457942      -0.10547412
O        1.40724000       4.07462000      10.00070000       0.03720050       0.85827063      -1.36290280
O       -1.43334000       4.15518000       9.92960000       1.66540262      -1.67045350      -0.00882477
O       -0.23312000       1.83486000       9.76047000       0.63001524       1.09617032       0.63023228
O        1.38952000       0.89139000      12.21060000      -0.41240025      -1.73910002      -0.25954865
O        4.16697000       0.84464000      12.05895000       0.27094384      -1.18582201       1.53566822
O        2.78972000       3.03030000      12.03033000      -0.32163854       2.37493959       3.99024348
O        4.36724000       2.53827000      21.71926000       0.75913786      -0.52992450       0.25658168
O        1.24700000       2.48021000      21.66929000       0.43360463       0.65763467       0.27632697
O       -0.13779000       4.85827000      21.79768000       0.37891191      -0.16604756      -0.62404309
O        1.76084000       4.42683000       2.86936000      -2.03369617       0.69199990      -0.51976882
O       -1.54618000       4.37820000       2.91075000       1.08143448       0.26527566      -1.05095402
O        0.16772000       1.76021000       2.86529000      -0.07402796      -0.19178030      -1.04189806
O        1.45048000       0.87015000       5.25396000      -0.65321335       1.87747748      -1.13874732
O        4.65021000       0.91058000       5.23146000       0.98909280      -0.45603041      -0.26024622
O        2.88372000       3.54418000       5.06980000       0.75632970       1.40064646       0.94894535
O        4.26377000       2.20598000      14.47757000       0.19848044       1.03380031       0.75448140
O        1.74117000       2.38153000      14.75053000      -3.39551633      -0.63519668      -1.80311635
O       -0.07705000       5.04030000      14.68572000      -0.18669039       0.26414539      -0.03923872
O        1.32629000       3.94367000      24.12148000       0.58349743       1.76500692       0.30425369
O       -1.22675000       4.10074000      24.34993000      -1.13039895       0.41669841      -0.59782789
O       -0.14045000       1.70878000      24.37037000       1.75830894      -0.26218883      -1.03603869
O        2.78778000       5.08421000      21.65745000       1.28327756      -0.53674090      -0.18228949
O        2.99302000       1.78412000       2.52216000       2.15826482       0.57979561       3.63715617
O       -0.06524000       3.25389000      11.97931000      -1.21463598       1.32783403       2.05250574
O        5.81401000       0.09494000       7.34676000       0.55279939       0.20901793      -0.73808025
O        2.87720000       1.74112000      16.86496000       0.50707302      -1.29263272      -1.18701679
O        0.15484000       3.57242000      26.50667000      -0.26740287      -2.34926494       0.09747383
O       -2.81395000       5.10473000       0.68664000      -0.05172581       1.72080067      -0.45741990
O        2.77301000       1.68024000       9.92473000       0.31686330      -1.03167613       1.63401464
O       -0.06688000       3.27656000      19.52915000      -0.04176167       0.80685393       0.57710243
O       -0.13859000       1.75958000      16.80741000       0.53202850      -2.86617965      -0.27695552
O        1.60205000       4.28223000      16.88552000      -0.06086821      -0.49941812       0.44253824
O       -1.62930000       4.31871000      16.85111000      -0.71680960      -0.43227198       0.98152457
O        3.00839000       3.30549000      26.52910000      -0.11288621       0.04609363       0.46769811
O        1.69223000       0.97542000      26.47842000       0.48037451      -0.68623452       1.19208702
O        4.37187000       0.94480000      26.70610000       0.31174195      -0.60971234      -0.35670754
O        3.00367000       0.05858000       7.54418000      -0.40845226      -0.59376190      -1.47582114
O       -1.20259000       2.82987000       7.34516000      -2.01915706       0.19915334       0.48573736
O        1.43445000       2.79927000       7.32351000      -0.42388018      -0.36531900       0.99958008
Zn       0.17957000       0.09309000      27.38896000      -0.33226105      -0.38385416      -1.02576032
Zn       3.01456000       2.03940000       8.16539000       0.87978613      -0.57118139      -1.87546846
Zn      -0.00957000       3.45733000      17.67548000      -0.33415664       0.39878151      -0.76340735
Zn       2.90555000       4.96613000      23.62242000       0.60414541       0.11345298       0.25645887
Zn       3.11397000       1.64254000       4.69498000      -1.67549088       1.48360991      -1.43785035
Zn       0.11531000       3.15337000      14.05538000      -1.37682532       0.39612833      -0.65242623
Zn       2.73975000       5.02269000      13.00312000       0.46143568      -0.15405411       0.25865789
Zn       2.51745000       1.45911000      22.76512000       1.31549287       0.37778916       0.36284786
Zn       0.06591000       3.48378000       3.79668000       0.08644122       0.51970146       0.38470680
Zn       0.23775000       0.10340000       9.30386000      -2.18981321       0.30493308      -0.87323882
Zn       2.82709000       1.81426000      18.73280000       0.94571989      -0.11081158       1.11846477
Zn       0.16716000       3.59118000      28.43555000      -0.68553675      -0.58661407       0.31709124
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.34249754 magmom=71.9988237 free_energy=-552.34249754 stress="-0.04249307881299974 0.004409358911049715 0.000509431899956482 0.004409358911049715 -0.040053096079979957 0.008932626175042986 0.000509431899956482 0.008932626175042986 -0.0394189729022914" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39171000       0.77642000      15.85534000       2.60703648      -0.47882424      -2.37394171
Cr       4.44654000       0.60401000      15.75694000      -0.82740819       2.55059846      -1.63308476
Cr       2.95123000       3.36161000      15.73311000      -0.91493434      -3.09205351      -2.61374897
Cr      -1.44486000       2.54633000      25.58936000       2.15491501       0.88116742      -2.18222570
Cr       1.53174000       2.48205000      25.29339000       0.36531513       0.18054159      -0.13649642
Cr       3.05799000       0.07658000      25.47135000       0.98957921      -1.14172262      -1.14248516
Cr       1.54301000       4.35532000       6.16856000      -0.74533474      -1.04082510       0.62479624
Cr      -1.49746000       4.46277000       6.40344000       1.24308342      -1.55441934      -1.52192311
Cr       0.06581000       1.85186000       6.28322000      -0.44906471       0.72400518      -0.07320205
Cr       5.84326000       0.02437000      18.08476000      -0.76181882      -2.02346143       2.32218825
Cr       3.00103000       1.84257000      27.91214000       0.72123802      -0.47939993       0.23597003
Cr       0.08689000       3.51577000       8.55357000       1.38350767      -0.79987193      -0.70258337
Cr       0.22601000       0.08817000       4.05275000      -2.38353927       0.79860376      -2.82895838
Cr       2.79337000       1.47122000      13.27563000       0.95188184       1.27338074       2.04318938
Cr      -0.17518000       3.38093000      22.97117000       0.21852929      -1.74859443       1.25862069
Cr      -0.05968000       1.50082000      20.61637000      -1.30619631       3.06587952      -0.50438092
Cr       1.26811000       4.20621000      20.59738000       1.92804454       1.08123714      -0.41106803
Cr      -1.62348000       4.19344000      20.66773000       0.69779374      -2.52587172      -1.13384121
Cr       3.08012000       3.48387000       1.68607000       1.13428634       1.23670331       1.07907921
Cr       1.58977000       0.99372000       1.67954000       0.00783455       0.43757263       0.79033958
Cr       4.59228000       0.94821000       1.70476000      -0.73613086      -0.19611369       0.82625771
Cr      -0.06072000       5.03418000      10.95192000      -0.62489603      -0.71673077       1.13181120
Cr       4.29009000       2.50465000      10.94424000       0.90357358       0.88725610       2.34679929
Cr       1.40083000       2.54654000      10.97780000      -2.10983792       0.49614328       2.15019226
O        1.27648000       0.52420000      19.42720000       0.68483463       2.80114450      -0.96567719
O        4.45913000       0.81429000      19.38250000       0.00873920      -0.93810951      -0.12695143
O        2.79493000       3.65076000      19.35745000      -0.32225416      -1.42272379       0.70707738
O        4.47816000       2.42608000       0.56566000      -0.56066906       2.97225057      -1.70617792
O        1.71076000       2.65832000       0.65512000      -0.36499172      -0.18049317      -2.08449999
O        3.04454000       0.30284000       0.56721000      -0.07881228      -0.67014147      -1.17521869
O        1.39446000       4.18790000       9.92564000       0.72617619       0.39466109      -0.82319878
O       -1.20645000       4.10900000       9.74868000      -3.09977267       0.96306373       0.34872453
O       -0.23053000       1.93364000       9.76080000       1.99521177      -0.75732365      -0.24193778
O        1.32707000       0.86120000      12.04534000       0.72131291      -0.54609014       0.12718972
O        4.10598000       0.80858000      12.06014000       1.76569830       0.39762283       0.54491343
O        2.86733000       3.22895000      12.36678000      -0.36936447      -1.06969601      -2.20082503
O        4.43904000       2.50691000      21.74249000      -0.42971345       0.08637524       0.26369506
O        1.13994000       2.57868000      21.72042000       0.91870615      -0.30710166       0.35018564
O       -0.16316000       4.90630000      21.80968000       0.00683751       0.40129452      -0.55968119
O        1.75080000       4.46953000       2.73951000       0.19534261      -1.06868631       1.24544837
O       -1.35496000       4.63692000       2.88576000       0.13563908      -2.46352518      -0.87054300
O        0.15450000       1.71215000       2.87472000      -0.13870718      -0.18750116      -0.58924470
O        1.38536000       0.93519000       5.24118000       1.43530658       0.16031072       0.69515436
O        4.72100000       0.84489000       5.22919000      -0.88074405       1.14220344      -1.14412841
O        3.04210000       3.65947000       5.11731000       0.51536919      -1.37403406       1.09243307
O        4.40225000       2.16482000      14.53619000      -1.68275740       0.51870884       0.34722357
O        1.60707000       2.28929000      14.57968000       0.53094464       0.14118713       1.28908228
O        2.96216000       0.08020000      14.69855000      -1.39704240      -2.13094803      -0.85465486
O        1.33349000       4.03622000      24.08197000      -0.81068021       0.44285760       1.17124475
O       -1.28333000       4.29225000      24.37529000       0.07992073      -1.00091634       0.15817700
O       -0.08921000       1.74240000      24.34929000       0.32176112       0.27329369      -0.41669399
O        2.94093000       5.05763000      21.70387000      -1.32181675      -0.65538170       0.57346457
O        3.13399000       1.80374000       2.80353000      -0.35609619       0.43293545      -2.20377673
O       -0.15921000       3.27944000      11.98699000       0.73986423       0.88359821       0.51443951
O       -0.01387000       0.14470000       7.30002000      -0.02780521       0.03708811       1.68613792
O        3.01566000       1.65378000      16.77994000      -0.85154215      -0.47235456       0.15772432
O        0.26027000       3.40337000      26.41385000      -1.53016212       0.47833207       0.87496126
O        0.05260000       0.14226000       0.58067000       1.48747912      -0.84099799       0.47337880
O        2.80059000       1.69112000      10.06390000       0.41831055      -0.50750919      -2.37442921
O       -0.06941000       3.36351000      19.55537000      -0.76878536      -0.72011892      -0.74886063
O       -0.06488000       1.44787000      16.82977000       0.02700036       1.36897961       0.75533600
O        1.53159000       4.15484000      16.85697000       1.45189045       0.25327755       0.28698901
O       -1.63353000       4.09549000      16.72546000       0.85139451       2.34889717       2.26297744
O        3.03718000       3.37311000      26.49235000      -1.05460636      -0.43625721       0.91885865
O        1.76737000       0.97975000      26.52161000      -0.63285875       0.08572200       1.25877943
O        4.46604000       1.00125000      26.72609000      -1.96925369       0.01037194      -0.72220145
O        0.08658000       5.05410000       7.30161000       0.18307836       0.87303964       1.29517976
O       -1.30981000       2.77756000       7.39360000       0.32651770       0.02154611      -0.21166146
O        1.53716000       2.71152000       7.19729000      -1.15939150       0.40645010       1.64649776
Zn       0.09979000       0.06143000      27.28788000       0.72739074      -0.13180090      -0.11296177
Zn       3.02097000       2.03913000       8.16947000       0.10788369      -1.31031116      -0.49960471
Zn      -0.02666000       3.42418000      17.53543000      -0.80899914      -1.05086361       1.19373876
Zn       2.93926000       4.88185000      23.72565000       0.13458713       1.33664226      -0.60571466
Zn       3.07839000       1.57452000       4.63469000      -0.13102396       1.14996747       0.68196405
Zn       0.04822000       3.17545000      14.23294000      -1.15254043       1.62792774      -1.55601546
Zn       2.77648000       5.02351000      13.08284000       0.10689924       0.45773668       0.41066787
Zn       2.41927000       1.47633000      22.75083000       1.36571251       0.72969395       0.41783824
Zn       0.08738000       3.46932000       3.75019000       0.40855492       0.53930090       0.37914105
Zn       0.21728000       0.13322000       9.39469000      -1.05939295      -0.64892561      -0.71478017
Zn       2.81978000       1.79155000      18.70906000       0.19160508      -0.39841363       0.75672462
Zn       0.11671000       3.57144000      28.37044000      -0.05764326      -0.26145633       1.07278694
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.57363343 magmom=71.99942 free_energy=-552.57363343 stress="-0.048425082723563856 0.006048090787369951 0.0068497770455046205 0.006048090787369951 -0.03344190565784594 -0.003932106983844462 0.0068497770455046205 -0.003932106983844462 -0.0299810770962412" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48829000       0.73262000      15.80788000      -1.04138197      -1.14684670      -1.10148384
Cr       4.46252000       0.65613000      15.72386000       0.04104682      -1.10355969      -0.30710989
Cr       2.97125000       3.26663000      15.64242000      -0.63239698       0.05749517       0.69839807
Cr      -1.39409000       2.64997000      25.56655000      -1.69283869      -0.84348759      -1.22442225
Cr       1.47944000       2.45682000      25.27596000       1.49992414       0.98458283       2.10109196
Cr       3.06526000       0.12411000      25.44069000      -1.78983295      -0.58303253       0.66264268
Cr       1.62039000       4.36939000       6.21283000      -0.11795808      -0.48003366       0.16628163
Cr      -1.38094000       4.34308000       6.44972000       0.16352869       2.47883011      -1.70388767
Cr       0.05181000       1.81057000       6.27321000      -0.11216807       0.64385079      -0.03722145
Cr       2.89409000       4.96831000      18.14651000      -0.20539257       0.84568491       1.23014676
Cr       3.01618000       1.89963000      27.94553000      -0.08970039      -0.83284503      -0.72513568
Cr       0.16125000       3.48272000       8.46506000      -1.53319185       1.56468768       3.42314387
Cr       0.23630000       0.01854000       3.99968000       0.22768857       0.37131053      -0.58066989
Cr       2.90136000       1.50893000      13.28643000      -1.02442132       0.42715589       0.75845629
Cr      -0.26067000       3.40871000      23.06058000       2.39505647      -0.24111360      -1.31085484
Cr      -0.19047000       1.58906000      20.66364000       1.02398992       0.34064708      -1.13643328
Cr       1.22882000       4.19792000      20.60597000       1.27259885       0.76688076      -0.66361039
Cr      -1.65255000       4.16526000      20.65350000       0.01585165      -0.65296236      -1.36482926
Cr       3.23243000       3.48667000       1.67341000      -0.50164538       3.04507502      -0.42612752
Cr       1.54348000       1.06792000       1.66839000       2.20037343      -0.15633890      -1.11700094
Cr       4.52903000       0.91326000       1.68956000       0.70511215      -0.79762761      -1.49648193
Cr      -0.15512000       5.02837000      11.04514000       2.63737735       1.42269185      -3.04466094
Cr      -1.47355000       2.59741000      10.91254000      -1.57322551      -1.50262718       1.11234886
Cr       1.37091000       2.64779000      10.99660000       2.46193525      -0.20821842       1.08104452
O        1.31603000       0.62695000      19.43332000      -1.34129996       0.44910195       0.09258805
O        4.42347000       0.79272000      19.28911000       0.66290004      -1.05719394       1.07895789
O        2.63207000       3.48886000      19.38653000       1.03386337       0.39754617       0.88845776
O       -1.36709000       2.66604000       0.48593000      -1.67395410      -1.92554933       0.10961966
O        1.76856000       2.82387000       0.53017000      -0.24200807      -1.27167401       0.05144024
O        2.92694000       0.25837000       0.41766000       1.32603746       1.25035929       0.83249654
O        1.41002000       4.33154000       9.72921000      -0.68753999      -1.11347293       1.66114055
O       -1.36144000       4.13651000       9.66146000       1.02791621      -0.43489514       1.40330231
O        0.09527000       2.01018000       9.79397000      -1.40802067      -0.42606195      -0.23139802
O        1.43682000       0.76619000      11.94309000      -1.06754519       1.70447558       2.09959069
O        4.28503000       0.84898000      12.14733000       0.04419564       0.18599107      -0.72412257
O        2.84875000       3.19560000      12.33748000       0.27709627      -0.04308954      -1.63747972
O       -1.41682000       2.53722000      21.79669000      -1.90892411      -0.10408372       0.28599159
O        1.12669000       2.66429000      21.80748000      -0.06360677      -0.87026631      -0.07052898
O       -0.20242000       4.91900000      21.71823000      -0.41452281       0.67267282       1.15833839
O        1.80587000       4.38685000       2.80462000      -0.03881815      -0.38350671       0.16289329
O       -1.21517000       4.49627000       2.68592000      -1.29033738      -0.23006374       1.06998465
O        0.09923000       1.56037000       2.76867000      -0.03690377       1.53058576       1.30437009
O        1.44797000       1.01034000       5.28887000      -0.18651646      -1.83195725      -0.44769235
O        4.73654000       0.89124000       5.08072000      -0.17796516      -0.74979685       0.38806264
O        3.23826000       3.63900000       5.34081000      -1.92703016      -1.11258716      -2.13515014
O        4.20684000       2.22947000      14.65492000       1.41874393       0.40618263      -1.63402206
O        1.53243000       2.20523000      14.60765000       0.09260625       1.51259816      -0.42706956
O       -0.10547000       5.05516000      14.57843000       0.78896343       1.34086766       0.56836018
O        1.19138000       4.20737000      24.27310000       1.68817187      -0.47731208      -0.98797747
O       -1.28601000       4.27348000      24.44478000      -1.00406000      -0.07173087      -0.00665636
O        0.02505000       1.85545000      24.24988000      -1.56053236      -1.29608308       0.00729696
O        2.87169000       4.95452000      21.73768000      -1.06579807       0.75739678       0.03254186
O        3.25456000       1.91685000       2.69486000      -1.60438427      -1.26264952       0.64765159
O       -0.15014000       3.47451000      12.08139000       0.63552594      -1.67722328       0.30441022
O        0.09424000       0.17737000       7.41642000      -0.26826129      -0.38942263      -0.58819604
O        2.99307000       1.49449000      16.62805000       0.06533083       1.12035461       2.62260747
O        0.10363000       3.28949000      26.42062000       0.81866144       1.46222632       0.96851166
O        0.20046000       0.16740000       0.65038000      -1.08219602      -0.58451380      -1.20833145
O        2.90344000       1.61976000       9.93133000      -0.16682179       0.98252653       1.67099754
O       -0.17528000       3.35187000      19.54247000      -0.11149224      -0.65236387      -0.28285968
O        0.01205000       1.38756000      16.89903000      -0.43905511       0.82416789      -0.31868530
O        1.70853000       4.07373000      16.83287000      -1.60444624       0.77821603       0.01315658
O       -1.62565000       4.25556000      16.91205000      -0.28092006      -0.96568906      -0.53707544
O        2.89299000       3.32734000      26.55914000       0.61008627      -0.01089061      -0.85981949
O        1.75682000       0.97320000      26.72235000      -1.08315286       0.12437118      -1.60531186
O        4.24226000       1.03789000      26.57694000       2.19427140      -0.21944801       0.92564506
O        0.16145000       5.03876000       7.26740000       0.33583593       1.35888616       1.23519122
O       -1.31079000       2.74083000       7.38133000       0.56441840      -1.26918118       0.34021475
O        1.37519000       2.73802000       7.33728000       2.27970698      -0.61378037      -0.91623289
Zn       0.05167000       0.03056000      27.17659000       0.08685178       0.79120672       1.08693769
Zn       3.03472000       1.96824000       8.13722000      -0.42978268      -0.92650622      -1.26117948
Zn      -0.07092000       3.33981000      17.45489000       0.84377545      -0.63475652       1.24427291
Zn       2.97042000       4.86499000      23.79924000      -1.39567502       1.05468753      -1.11819741
Zn       3.02810000       1.57750000       4.59722000       0.95042308       1.45868283      -0.31602375
Zn      -0.07708000       3.26746000      14.32672000       0.19943173      -1.50755520      -1.68270314
Zn       2.82270000       5.04437000      13.19132000       0.29891309      -0.19618953      -0.02765111
Zn       2.39936000       1.53217000      22.77004000       1.34823708       0.16512880       0.13002365
Zn       0.13230000       3.48525000       3.73368000       0.43967519      -0.13992923       0.35467510
Zn       0.12881000       0.13552000       9.44227000      -1.00676274       0.20950476      -0.79387106
Zn       2.81929000       1.74292000      18.73515000      -0.08564130      -1.14299212      -0.24685195
Zn       0.06780000       3.54049000      28.35562000       1.29200626       0.65447914       0.33173362
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.36098384 magmom=71.9993359 free_energy=-552.36098493 stress="-0.0452024812182305 -0.004920296206833778 -0.005910265545674851 -0.004920296206833778 -0.0365929008318232 -0.006543926839205068 -0.005910265545674851 -0.006543926839205068 -0.03202847010361269" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53281000       0.62940000      15.71980000      -2.51531936       1.85999536       1.71270184
Cr       4.48465000       0.66880000      15.70585000      -0.32351697       0.08599994       0.53054400
Cr       2.93057000       3.17933000      15.62004000      -0.20604337       1.88891627       2.68351794
Cr      -1.43600000       2.68595000      25.51281000      -0.71368899      -2.71854039       0.22403573
Cr       1.49851000       2.48587000      25.37310000      -1.62890175       1.01648540      -0.54127750
Cr       2.97881000       0.14184000      25.45355000      -0.56206086      -0.66189544       0.59027947
Cr       1.67854000       4.34302000       6.27760000       0.01634904       0.05061054      -0.19087589
Cr      -1.25565000       4.31974000       6.38382000      -0.86348306      -0.15978049      -0.31240524
Cr       0.05433000       1.80233000       6.25204000       2.17574628      -1.23141997      -0.88605492
Cr       2.87870000       4.83620000      18.29586000      -0.20061068       2.26447216      -2.31793678
Cr       3.03975000       1.91103000      27.96187000      -1.37167232      -0.99349185      -5.01884278
Cr       0.17420000       3.52311000       8.56613000      -1.35015336      -0.67410183       0.64185634
Cr      -2.70642000       5.09363000       3.89177000       0.25135312       0.33928813       2.67909199
Cr       2.95655000       1.59442000      13.32913000      -1.23781386      -0.17752410      -2.98855190
Cr      -0.21721000       3.40743000      23.07270000       0.44606309       0.51169517      -0.77476485
Cr      -0.28696000       1.70582000      20.64895000       0.98763150      -2.47434060       0.90896049
Cr       1.26044000       4.22936000      20.58434000      -1.89251527      -1.19415567       2.35360989
Cr      -1.69180000       4.09580000      20.56090000      -0.82389200       2.19201344       2.66861648
Cr       3.33452000       3.61705000       1.60227000      -3.93773323      -2.03373184      -0.38524953
Cr       1.61573000       1.14385000       1.55940000      -1.71298918      -1.18572650       0.59000271
Cr       4.49710000       0.84780000       1.58614000       2.03562954       0.38865553       1.01505203
Cr      -0.12352000       5.10814000      11.01258000       1.31268905       1.30030233       0.45163967
Cr      -1.41365000       2.59644000      10.97103000       0.07449283      -1.79704900       0.54994750
Cr       1.45391000       2.72387000      11.08824000      -0.34637395      -2.50367524      -1.69166784
O        1.09943000       0.85745000      19.41659000       0.53812620      -1.52086769       0.48882097
O        4.50268000       0.56913000      19.40566000      -1.82787463       1.66071825      -0.68364869
O        2.66594000       3.37240000      19.59039000       1.00502889      -0.26673627      -1.35499145
O        4.36638000       2.64488000       0.38912000       2.75213728      -0.59387809       0.43446071
O        1.72896000       2.76500000       0.41093000      -0.31009453       0.09257212       1.16158518
O        3.03817000       0.37340000       0.42127000      -0.06345730      -1.95315033       0.27312652
O        1.29414000       4.26640000       9.84186000       1.46854043       1.13178975       1.39835407
O       -1.38047000       4.14112000       9.88017000       0.10235466       1.21519300      -1.14378530
O        0.19867000       2.02607000       9.79992000      -1.51329865      -0.97417545       0.18051848
O        1.52028000       0.95675000      12.16041000      -0.36424969      -0.65481498       0.35016468
O        4.42367000       0.95257000      12.10761000      -0.60449408      -1.16919589       0.83430336
O        2.94177000       3.07212000      12.01245000       2.06089687       2.98305700       4.01624388
O        4.27519000       2.59715000      21.87408000       0.01736587      -0.02235586      -0.36003182
O        1.04774000       2.63761000      21.83472000       0.18645705      -0.27762239      -0.67031808
O       -0.32626000       4.95702000      21.77097000       0.35092178      -0.15171802      -0.31277202
O        1.89496000       4.25367000       2.87234000      -1.72610681       0.51274953      -2.09034181
O       -1.33102000       4.33468000       2.70663000       2.08979854       1.85727497       0.96914152
O        0.06978000       1.59401000       2.80920000       0.62733422       0.54307688      -1.04208516
O        1.46172000       0.74165000       5.28476000       0.71439430       1.20660830      -1.42560585
O        4.75035000       0.79263000       5.03520000      -0.56497368       0.08586236       0.68250606
O        3.15104000       3.46804000       5.28190000       0.36960908       0.99567294      -0.58021478
O        4.22326000       2.29139000      14.51775000       0.76536744      -0.49396874       1.61191188
O        1.55594000       2.32877000      14.62706000      -0.48185710      -0.21007754      -0.40361645
O        2.87659000       0.06780000      14.55648000       1.67093891      -1.07577498       0.32521269
O        1.26736000       4.25743000      24.35182000      -0.55254255      -1.14258890      -0.70219481
O       -1.37378000       4.22288000      24.48444000       0.15121641       1.30752238      -1.38070947
O       -0.08955000       1.83296000      24.22779000       0.31995904      -0.08242615       1.01261168
O        2.60492000       5.00365000      21.70776000       1.54136125       0.56645824      -0.08881255
O        3.09760000       1.83634000       2.49435000       0.62456153       0.06289670       2.04995577
O        0.00067000       3.44840000      12.11752000      -0.60249003       0.44021786       0.66409936
O        0.17030000       0.12432000       7.38252000      -0.14646721      -0.43728760      -0.18115150
O        2.94971000       1.49961000      16.83242000       0.46488352       0.27572558      -1.21675940
O        0.00570000       3.44369000      26.51146000       0.62471740       0.47169773      -1.03358936
O        0.21674000       0.11081000       0.57704000      -0.70604747       0.94793453      -1.04237923
O        2.98744000       1.73667000      10.04101000      -0.55160823      -0.14570567      -1.31732509
O       -0.29750000       3.24029000      19.51379000       0.61176855       1.25241750      -0.83615191
O       -0.00523000       1.46896000      16.83526000       0.03118918      -1.95640793      -0.51802846
O        1.66642000       4.14234000      16.78072000      -0.85599592      -0.17164473       0.62347184
O       -1.66522000       4.28686000      16.98415000       0.57624581      -1.63859882      -0.99123833
O        2.84701000       3.24375000      26.47801000       1.24766708       1.49210190       0.91087236
O        1.60106000       1.02937000      26.63062000       0.66485976      -0.51197267      -0.02863703
O        4.31562000       1.01572000      26.54404000       0.09082674       0.18609842       0.75077523
O        3.24407000       0.06603000       7.44700000      -0.89859055      -1.78394173      -1.08552949
O       -1.14767000       2.60729000       7.38211000      -1.29188454       1.49354402       0.93606383
O        1.48841000       2.72741000       7.34579000      -0.44104548       0.13559148       0.02438003
Zn       0.00589000       0.03456000      27.10905000      -0.01028963      -0.05928819       0.61773171
Zn       3.02777000       1.83705000       8.05485000       0.31708406       0.37665590       0.77654623
Zn      -0.08148000       3.22355000      17.44457000       0.31294854       0.83365862       1.01670420
Zn       2.93245000       4.91217000      23.81091000      -0.71241389       1.38726360      -1.61559879
Zn       3.01761000       1.65703000       4.56190000       0.44214531       0.21180191      -0.26649779
Zn      -0.20011000       3.30516000      14.32864000       2.27882760       0.26560195      -2.17663017
Zn       2.88586000       5.06684000      13.31605000       0.20179148       0.19235021      -1.33858493
Zn       2.45585000       1.60444000      22.80991000       0.97528679       0.07715867      -0.09937654
Zn       0.20435000       3.49527000       3.74231000       0.01767919      -0.46494451       0.54308130
Zn      -0.01861000       0.14099000       9.44956000       0.21939213      -0.10188530      -0.64980793
Zn       2.81806000       1.62953000      18.75575000      -0.11578084      -0.94167189       0.58842353
Zn       0.07311000       3.53741000      28.37109000       0.29469371       0.44842668       0.90311828
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.6081674 magmom=72.0009367 free_energy=-551.6081674 stress="-0.03229153032089981 -0.004794294661573931 -0.006103091852081531 -0.004794294661573931 -0.044021480911875265 0.006238641583104045 -0.006103091852081531 0.006238641583104045 -0.03196967722224299" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44100000       0.59942000      15.71473000       2.03303367       0.89154280      -0.84474286
Cr       4.49653000       0.66806000      15.72803000      -1.43888584      -0.32254958      -0.06524757
Cr       2.84793000       3.21738000      15.77277000       0.72714930      -0.04366036      -0.25123321
Cr       4.36406000       2.57660000      25.47820000       0.91789758       1.72297431      -1.33171631
Cr       1.45121000       2.58979000      25.46506000      -1.05374656       0.63433603      -1.49908320
Cr       2.84974000       0.13268000      25.50320000       1.85886510      -0.13601476      -2.84706424
Cr       1.73136000       4.30375000       6.32929000      -0.69743488      -0.68843761      -1.30797848
Cr      -1.17321000       4.29642000       6.28859000      -1.33589139      -1.34366091      -0.43731814
Cr       0.16342000       1.74285000       6.19925000       0.46627836       0.05466964       0.57664394
Cr       2.85907000       4.81289000      18.38696000      -1.89999984       0.69340155      -5.00020888
Cr       3.00516000       1.85129000      27.79979000       0.38520156      -0.53363426       1.03697084
Cr       0.10126000       3.54497000       8.76174000       0.23512659      -1.21453275      -0.94879153
Cr      -2.71018000       5.08249000       3.89548000      -1.50779186       0.66469511      -0.90673131
Cr       2.97358000       1.68489000      13.26852000       1.42763185       0.63231648       3.60405169
Cr      -0.14745000       3.42614000      23.02497000      -2.26384633      -0.31951571       1.00181223
Cr      -0.33477000       1.69799000      20.65302000      -1.47968402      -0.15899440      -0.42139922
Cr       1.22270000       4.20144000      20.65396000      -1.51051734      -0.83223900      -0.30809444
Cr      -1.78828000       4.17549000      20.55271000       1.50739638       0.55174495       3.48164232
Cr       3.24950000       3.65462000       1.48038000       0.03429147      -2.51202965       1.32518114
Cr       1.64601000       1.15496000       1.43203000      -1.65218355      -3.32109311       3.56947868
Cr       4.57253000       0.81901000       1.51038000      -0.03772073       2.13637976       2.12008146
Cr       2.93955000       0.16402000      11.00275000      -0.92219909      -1.61357472       2.87096081
Cr      -1.35928000       2.50673000      11.07294000       0.54968502       2.57086245       0.40485383
Cr       1.57071000       2.67922000      11.15646000      -0.79575481      -0.09239655       0.50202701
O        0.93765000       0.78954000      19.51234000       2.45247820      -0.23573138      -0.39717664
O        4.30926000       0.60730000      19.45005000       1.27680029      -0.57608539      -0.03582586
O        2.80118000       3.23666000      19.59867000      -1.90218043       1.23912614      -0.96238162
O       -1.38832000       2.47000000       0.37651000      -1.28874049       0.79851212      -0.34960735
O        1.67977000       2.71164000       0.45810000       1.73332909       0.82391116      -1.73297658
O        3.11675000       0.20432000       0.44929000      -1.04520900       1.43544896      -1.38734938
O        1.35795000       4.29680000      10.15011000       0.62599686      -0.11645391      -2.33789221
O       -1.27626000       4.26589000       9.98281000      -0.98877553      -0.03977911      -1.13718115
O        0.01585000       1.93946000       9.83092000       1.28113764       0.27297998       0.87599881
O        1.52855000       1.08872000      12.36280000      -0.93664162      -1.49389001      -2.78002125
O        4.38541000       0.90467000      12.15778000       0.08012618      -0.24084798       0.20188739
O        3.22305000       3.38157000      12.22342000      -1.79411429      -0.42875338       0.27106790
O        4.11465000       2.69300000      21.87659000       1.25486918      -0.61136523       0.02322569
O        0.95585000       2.57701000      21.73861000       1.81667395      -0.26904663       0.66863487
O       -0.37674000       4.91380000      21.78911000       1.08123311       0.83382316      -0.46339436
O        1.79352000       4.31135000       2.60258000       0.32245673       0.49438669       0.62518465
O       -1.29492000       4.46435000       2.79839000      -0.23594380      -0.65178428      -2.13418202
O        0.18013000       1.64844000       2.69948000      -0.25646758      -0.31298390      -0.20877557
O        1.55629000       0.64501000       5.07583000       0.28187410       1.86325514       1.08773984
O        4.72895000       0.69624000       5.15231000      -0.43812444       1.68072692      -0.63492246
O        3.08072000       3.54003000       5.11622000       1.14085241       0.22950303       0.68822112
O        4.32769000       2.17092000      14.57650000      -0.19281848       2.07754526       0.89716722
O        1.57490000       2.43563000      14.58526000      -0.30575272      -0.95963430       0.47392131
O        3.10810000       0.15869000      14.60871000      -2.69761222      -2.08244783      -1.08058809
O        1.25471000       4.07811000      24.28185000       0.09766808       1.59008985      -0.65011961
O       -1.39519000       4.31101000      24.33790000      -0.13263091      -0.62280075       0.21105473
O       -0.16606000       1.84105000      24.39817000       1.22314453      -0.26294704      -1.00225292
O        5.53702000       0.03409000      21.62103000       0.89898598      -0.93634785       1.45024668
O        3.02248000       1.70678000       2.61789000       1.58558939       1.23379116      -1.63631567
O        0.08976000       3.42962000      12.15295000      -0.63439781       0.50366695      -0.06284354
O        0.22810000       0.00431000       7.24946000       0.46120218       0.79719301       1.59888867
O        2.97303000       1.56925000      16.83361000      -0.64666167      -0.58331694      -0.07590928
O        0.01998000       3.65722000      26.41971000      -0.44049772      -2.44658231       1.55736849
O        0.10460000       0.16602000       0.38248000       1.22201216      -0.32908619       0.43778256
O        2.98424000       1.84988000      10.01774000       0.05794824      -0.33456053      -0.73005346
O       -0.32636000       3.32070000      19.47474000       0.54107355       0.34153534       0.51702061
O        0.01457000       1.23021000      16.72028000       0.65248451       1.67555919       3.56951231
O        1.46986000       4.18596000      16.83030000       0.92812778      -1.04240974       1.34349352
O       -1.65449000       4.08212000      16.85362000      -0.29465866       0.50806822       0.89147033
O        2.95960000       3.36204000      26.50495000      -0.77284706      -0.68878750       0.40599388
O        1.55838000       1.01994000      26.49548000       0.10772664       0.15919551       2.10915386
O        4.36343000       1.05499000      26.61692000      -1.74599632      -0.47337099      -0.59638927
O        0.25810000       4.96703000       7.43726000      -0.22502586       1.12317881       0.19849014
O       -1.09841000       2.69775000       7.46642000      -0.60894054      -0.47882218      -0.74368294
O        1.55208000       2.70464000       7.29667000      -0.68035013      -1.05030862       1.34680192
Zn       5.86855000       0.03695000      27.07688000       0.44240394       0.38030925       0.61833024
Zn       3.03674000       1.71314000       7.99439000       0.61087967       0.59932699       0.38549647
Zn      -0.07025000       3.13053000      17.48459000       0.11039091      -0.18334544       0.09152313
Zn       2.84677000       5.03651000      23.73369000      -0.33514205       0.64018310      -0.96569025
Zn       3.03733000       1.75266000       4.50267000       0.73717367      -0.62457930       0.20449846
Zn      -0.20593000       3.34707000      14.22306000       1.66179219       0.82842997      -1.38771974
Zn      -2.93911000       5.09550000      13.40659000       0.06752558      -0.05442539      -0.90539209
Zn       2.57143000       1.68324000      22.85338000       0.57552397      -0.03187529      -0.35591577
Zn       0.28311000       3.48000000       3.78317000      -0.42379128      -0.27731563      -0.33178543
Zn       5.73673000       0.13992000       9.41749000       1.91557135      -0.88947183      -0.98202570
Zn       2.81112000       1.45955000      18.79782000      -1.37917168       0.30483623      -0.63701701
Zn       0.10055000       3.56186000      28.42362000      -0.38946037      -0.52601495      -0.36888205
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.6995155 magmom=72.0011796 free_energy=-553.6995155 stress="-0.028589557171997904 -0.0026702924973800745 0.007743103356361246 -0.0026702924973800745 -0.03652195078891018 -0.0016923100329888426 0.007743103356361246 -0.0016923100329888426 -0.0302628989966098" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42474000       0.62635000      15.70501000       0.35781585       0.05561929       0.77599705
Cr       4.44189000       0.64215000      15.77033000      -0.39795152       0.35599105       0.85771579
Cr       2.79828000       3.26405000      15.93480000       0.83867180      -1.49305784      -2.29583667
Cr       4.29989000       2.54126000      25.41816000       1.02969370       2.05207412      -1.10319354
Cr       1.36737000       2.70521000      25.49058000       0.88940665      -1.18134199      -0.73518645
Cr       2.81606000       0.11629000      25.44650000       0.05889633      -1.17814292      -1.77642513
Cr       1.74015000       4.23460000       6.31973000      -0.49281602       0.53487017       0.27995573
Cr      -1.16908000       4.20957000       6.18978000      -0.37879857       0.96616605       0.54665118
Cr       0.29140000       1.69213000       6.19220000      -1.68678354       0.74361181       1.59856671
Cr       2.78433000       4.81217000      18.32570000       0.67167616       1.08305398      -1.33207348
Cr       2.96221000       1.75824000      27.70534000       0.97488110       1.53018585       2.31263489
Cr       0.03479000       3.49095000       8.86766000       0.99558742      -0.33342311      -2.85009144
Cr       0.18062000       0.01442000       3.84568000       0.35670536       1.59028800      -1.47879052
Cr       3.03027000       1.78103000      13.38927000      -1.05491573      -1.11143794       2.18543368
Cr      -0.19893000       3.42526000      23.01199000      -0.11847109      -0.80731992      -0.27052816
Cr      -0.41535000       1.66267000      20.64144000       1.68838069       1.00380516       0.19880734
Cr       1.13827000       4.12874000      20.68383000       1.84064127       0.17728358      -0.98950179
Cr      -1.84791000       4.29659000      20.64220000       2.39596022      -2.56479630       1.17358926
Cr       3.15652000       3.53506000       1.40494000       1.73104689       0.23803253       1.10463769
Cr       1.62749000       1.01973000       1.42475000       1.06421157      -0.30001707       0.75830302
Cr       4.64099000       0.92921000       1.51800000      -0.90456669       0.84075819      -1.64061837
Cr       2.99563000       0.21360000      11.12054000      -1.23183789      -3.05433266      -1.72336699
Cr      -1.28425000       2.55262000      11.19330000      -2.48229373       1.91430848      -0.75664835
Cr       1.62142000       2.63461000      11.22089000      -0.83136343       2.11201272      -1.76896035
O        1.12922000       0.69175000      19.52681000      -1.68209166       0.44874285      -0.58261621
O        4.37034000       0.59988000      19.46945000      -0.29913320      -0.13621255      -0.44195741
O        2.64269000       3.29930000      19.46473000       0.25781917       0.15962496       0.94637885
O        4.47701000       2.45260000       0.33579000      -0.10283029       1.15980000      -0.92419153
O        1.85808000       2.73869000       0.32034000      -2.20779197      -0.87854501      -0.26653416
O        3.01973000       0.29551000       0.28767000       0.91427884      -0.77094716       0.62346229
O        1.42606000       4.27989000      10.13073000      -0.98543078      -0.34584791      -0.57746886
O       -1.27778000       4.39064000       9.89753000      -0.41505033      -0.56182787       0.98913075
O        0.05648000       1.94985000      10.03284000       0.86567132      -0.69449675      -0.31212665
O        1.54069000       1.00929000      12.12871000       0.66133255      -0.34093692       1.91085259
O        4.32377000       0.90139000      12.25313000       1.67347671       1.19964177       0.76135665
O        3.17995000       3.50966000      12.49192000      -0.51801154      -2.18762978      -1.77679276
O        4.24586000       2.70038000      21.84329000      -0.24109418      -0.92165752       0.05669441
O        1.06745000       2.50289000      21.74389000      -0.17792737      -0.07879908       0.78768551
O       -0.23634000       4.92471000      21.73639000      -0.69370583       0.94500530       0.81552811
O        1.78635000       4.44032000       2.48883000      -0.28627468      -1.53184944       2.44256368
O       -1.37630000       4.51727000       2.57017000       0.02291151      -1.00327546       0.60008694
O        0.24748000       1.60879000       2.56685000      -0.99153031       1.23153766       1.94121761
O        1.59483000       0.83252000       5.05753000      -0.25414364      -0.83281772       0.22896719
O        4.68876000       0.84501000       5.21022000       0.48923585      -0.62797571      -0.61565794
O        3.20912000       3.69282000       5.11767000      -0.49470479      -1.83519317      -0.21098969
O        4.28138000       2.33246000      14.80429000       0.58592085       0.58420401      -0.65826302
O        1.58591000       2.34391000      14.63656000      -1.00437036       0.29154797       0.25292918
O        2.96461000       0.01942000      14.54515000       0.07043419       2.44801823       0.91224275
O        1.19040000       4.13691000      24.15458000       0.67091791       1.25741540       1.08651527
O       -1.38926000       4.28527000      24.25926000      -1.70233973      -0.07406531       0.58304382
O       -0.05218000       1.87393000      24.41794000      -0.49347852      -0.32513476      -0.97332520
O        5.65780000       0.01488000      21.70827000      -1.29682416      -0.20120808      -0.28267326
O        3.22120000       1.80694000       2.46370000      -1.20269985       0.57944220       1.02766286
O        0.06785000       3.48814000      12.11580000       0.61036383       0.29525788       0.86276327
O        0.30481000       0.00455000       7.31560000      -0.61220604       0.09357106      -0.07652615
O        2.88895000       1.51694000      16.72274000      -0.02009185      -0.96748474       1.71542762
O       -0.04927000       3.51863000      26.46522000      -0.81713501       0.07355898       0.11659242
O        0.18125000       0.16314000       0.38928000      -0.09351449      -0.45575504      -0.05526511
O        2.98768000       1.85090000       9.94658000       0.91110491      -0.08356222       1.49290135
O       -0.27951000       3.45444000      19.57010000      -0.85215405      -1.26046025      -0.47445089
O        0.09325000       1.19470000      17.07355000      -1.10664663       0.56504581      -1.49284235
O        1.48308000       4.11091000      17.02515000      -0.34488039       0.64016065      -0.56194127
O       -1.67437000       4.03900000      16.84767000       0.67522110       1.12668999       1.37017656
O        2.94887000       3.36071000      26.55235000      -0.70598455      -0.32457963      -1.07634383
O        1.56343000       1.02409000      26.62875000      -0.52388298       0.47270526      -1.27249304
O        4.17637000       0.98473000      26.50058000       1.57349485      -1.16804909      -0.61719215
O        0.19419000       4.84410000       7.40012000       0.82107087       1.34338916       0.37009877
O       -1.13307000       2.72633000       7.41617000      -0.37603032      -1.57457693      -0.10200308
O        1.45249000       2.58884000       7.43499000       1.01518164       0.64019259       0.14703038
Zn       5.85041000       0.06031000      27.07659000      -0.18734565       0.55524894       0.59986623
Zn       3.07523000       1.63429000       7.96129000       0.33441755       0.44671581       0.22306592
Zn      -0.05954000       3.04231000      17.54037000      -0.67664178       0.68309095       0.89845352
Zn       5.70570000       0.07704000      23.61385000       0.61702708      -0.17974123       0.55538979
Zn       3.09861000       1.81503000       4.44681000       0.87825179      -0.00642172      -0.62419311
Zn      -0.11578000       3.41693000      14.05740000       0.27458561      -2.62956449      -0.36022056
Zn       0.08302000       0.02066000      13.46634000      -0.31258084       0.58907555      -0.30236897
Zn       2.70813000       1.75480000      22.88393000       0.03609353      -0.13510869      -0.33069027
Zn       0.33485000       3.45153000       3.81006000      -0.39207346       0.07016840      -1.10571074
Zn       5.70864000       0.10713000       9.32914000       2.59308770       0.30345696      -0.82215758
Zn       2.73230000       1.32281000      18.81536000       0.27268734       1.23362005      -0.58408510
Zn       0.10901000       3.55210000      28.46032000      -0.06776229      -0.47739539       0.09192549
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.94383194 magmom=71.9989074 free_energy=-553.94383194 stress="-0.032443937706471374 -0.0006105557135839091 0.0026506616279792367 -0.0006105557135839091 -0.03219760664978492 -0.002915965567932971 0.0026506616279792367 -0.002915965567932971 -0.03860038398208538" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42049000       0.64628000      15.75152000      -2.14229457      -0.36097578       2.16276334
Cr       4.37282000       0.63181000      15.87632000       0.12168129       1.18390453      -0.12571954
Cr       2.81497000       3.24843000      16.01401000       0.97611825      -0.46289392      -0.86207679
Cr       4.27130000       2.60030000      25.34618000       0.56372173      -1.24426506      -0.73813931
Cr       1.33921000       2.73042000      25.48561000      -0.82311570      -0.72130370      -2.28936148
Cr       2.79199000       0.07080000      25.32347000      -1.41647980      -0.08710900      -0.08073233
Cr       1.71489000       4.19744000       6.32455000       0.59313870       1.03840498      -0.55309912
Cr      -1.18312000       4.17016000       6.14808000      -0.02145207       1.28910803       0.87490920
Cr       0.31005000       1.69880000       6.28761000      -1.69536701       0.04984510      -0.07785091
Cr       2.77160000       4.83634000      18.24570000       0.78944207       0.49966774       1.74458659
Cr       2.95598000       1.74982000      27.68050000       0.72208115       0.19149291      -1.57599398
Cr       0.01878000       3.41440000       8.80492000       0.32473899      -0.42071762      -1.24493069
Cr       0.15548000       0.12479000       3.74383000       1.04562936      -1.05504132       3.03073081
Cr       3.03383000       1.80255000      13.62346000      -0.78937341      -0.82318974      -2.56842281
Cr      -0.25478000       3.39816000      23.00092000       1.72661880       1.13251526       0.58949047
Cr      -0.39540000       1.67044000      20.63006000       2.20340043      -1.50984370       0.00169472
Cr       1.15324000       4.08086000      20.64167000       0.88788781       0.89494510       0.78247469
Cr      -1.80738000       4.28854000      20.72359000       1.12091668      -1.61159006      -0.38033087
Cr       3.13772000       3.44477000       1.37365000      -1.57520319       2.99215080       0.41633006
Cr       1.66766000       0.89084000       1.44878000      -0.01674691       1.78640813       0.41250674
Cr       4.65117000       1.07416000       1.44884000      -0.22047346      -1.90153168      -0.24500970
Cr       3.00099000       0.10044000      11.15679000       1.10767741       1.49698895      -0.87100098
Cr      -1.33728000       2.69304000      11.26214000      -1.09459539      -0.79611408      -1.40834197
Cr       1.61920000       2.68232000      11.19520000       0.46549752      -1.17617242      -0.49789719
O        1.02446000       0.65922000      19.49713000       0.02085007       0.37106370       0.18222444
O        4.44094000       0.54148000      19.45871000      -2.51971790       1.05813159      -0.66007240
O        2.54534000       3.38202000      19.50516000       1.58707054      -1.40927603      -0.12827704
O        4.38700000       2.59924000       0.18321000       0.27853506      -0.95751533       0.42647008
O        1.72136000       2.65074000       0.21756000       0.38288367      -0.91709318       1.47825228
O        3.10685000       0.28854000       0.31153000       0.65578420      -0.54495986       0.50838960
O        1.30581000       4.20460000       9.97352000       1.70989286       1.27120676      -0.22477947
O       -1.28728000       4.35049000       9.95467000      -0.32577015      -0.71350441       0.06708922
O        0.18495000       1.94165000      10.16214000      -1.69469759      -0.66473950      -1.78371200
O        1.69540000       0.95543000      12.19361000      -0.83524438       0.66693173       2.20073384
O        4.44789000       1.12570000      12.40928000       0.29582177      -1.23963116       0.42413302
O        3.02119000       3.24722000      12.40282000       0.58514205       2.69085186       0.23365092
O        4.37036000       2.57973000      21.81572000      -2.02489938       0.41694773       0.62956037
O        1.10988000       2.49215000      21.87155000      -0.36435910       0.31065759      -0.45871425
O       -0.20499000       4.98955000      21.79174000      -0.88848036      -0.14548323      -0.01772555
O        1.78661000       4.36556000       2.72957000      -0.94056969       0.19486938      -1.57071893
O       -1.49445000       4.41094000       2.45710000       1.37100579      -0.30696560       1.68863916
O        0.15688000       1.69554000       2.67615000       0.48040232       0.78453698      -0.88614824
O        1.55882000       0.84241000       5.10763000       1.23650059      -0.46427053      -0.83285584
O        4.77943000       0.86529000       5.15305000      -0.09597879      -0.83048511      -0.34845866
O        3.22916000       3.59724000       5.09512000      -0.91434857       0.65492634      -0.25579872
O        4.29337000       2.58227000      14.89454000       0.47265754      -1.11874405       0.18647973
O        1.47322000       2.31617000      14.75700000      -0.02739149       1.39430812       0.15858103
O        2.84117000       0.20118000      14.62802000       1.83136158      -2.47251957       0.11533844
O        1.15519000       4.35689000      24.22572000      -0.22599891      -1.53080475      -0.31788080
O       -1.59609000       4.21317000      24.28431000       0.09095673       0.69688657      -0.56488064
O       -0.02133000       1.93036000      24.28008000      -0.86662252       0.21425428       0.38602992
O        2.62570000       5.03312000      21.66282000      -0.41394627       0.39482520       0.13811131
O        3.21141000       1.92179000       2.41149000      -0.86019468      -2.22233607       1.42016237
O        0.13139000       3.57664000      12.14147000       0.28614775      -0.33645052      -0.15564558
O        0.26198000       0.02935000       7.31213000      -0.04507194      -0.78683815      -0.39207223
O        2.82077000       1.36603000      16.86129000       0.72367533       1.43574785       0.36669044
O       -0.22243000       3.36740000      26.47115000       0.55340141       1.31473811      -0.09617259
O        0.22947000       0.08560000       0.46363000      -1.23833379       0.51926612      -1.12417129
O        3.13805000       1.81763000      10.16138000      -0.17205886       0.04317820      -0.98826522
O       -0.34979000       3.35875000      19.64831000      -0.17838080      -0.21019639      -1.15805908
O       -0.02426000       1.25635000      17.10884000      -0.48589337      -0.27993889      -2.29686363
O        1.43440000       4.13645000      17.03489000      -0.48769260      -0.22634381      -0.84339132
O       -1.63747000       4.20284000      17.03351000      -0.57752224      -0.89129197      -0.31762476
O        2.84648000       3.29986000      26.41118000       0.81526003       0.89346392       1.68722399
O        1.49863000       1.10578000      26.54604000       0.51006087      -0.88456106      -0.24524810
O        4.26511000       0.76652000      26.28715000      -0.76444243       2.15199503       1.38410057
O        0.25357000       4.90034000       7.39499000      -0.65237449      -0.71461979      -0.13202855
O       -1.17562000       2.55501000       7.31256000       0.36149526       0.58095196       0.56608826
O        1.48455000       2.60296000       7.53798000       0.59844609       0.42941782      -0.20854594
Zn       5.82896000       0.10807000      27.10119000       0.56835652      -0.52503837       0.16686550
Zn       3.12648000       1.59367000       7.95194000      -0.11262551       0.92695274       1.21586210
Zn      -0.08306000       3.00592000      17.63250000      -0.70498196       1.88845863       0.93036886
Zn       5.65394000       0.20422000      23.53408000       0.45743244      -0.77145482       0.55448947
Zn       3.19653000       1.86246000       4.38140000       0.03424356      -1.34100039       0.18545099
Zn      -0.01793000       3.38298000      13.91065000      -0.20712707      -0.24184667       2.80529022
Zn       0.13176000       0.07310000      13.50689000      -0.52459108      -0.10057221      -1.36416219
Zn       2.83150000       1.80986000      22.90347000      -0.68052363      -0.52862906      -0.19470078
Zn       0.35908000       3.42915000       3.79857000      -0.30886977       0.15867074      -0.18742607
Zn       5.81033000       0.08546000       9.21545000       0.75357677       0.11029040       1.30394286
Zn       2.66301000       1.27015000      18.79413000       0.84699995       0.89531027       0.88965066
Zn       0.11145000       3.51370000      28.48368000      -0.22270014       0.52358743      -1.04204878
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.97061886 magmom=72.0006471 free_energy=-551.97061886 stress="-0.03165614047262473 0.00044917514751941634 -0.0002545113158600398 0.00044917514751941634 -0.028375164660248173 -0.0017044202646250475 -0.0002545113158600398 -0.0017044202646250475 -0.040297904021194424" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31799000       0.64319000      15.90652000       2.13467431       0.48694318      -2.04055110
Cr       4.30658000       0.66795000      15.98790000      -1.14219238       0.21479590      -3.04915797
Cr       2.89318000       3.24635000      16.09098000      -0.95030001       0.24228188      -1.78081194
Cr       4.24136000       2.59071000      25.29152000      -0.89718406       0.79414961      -0.31245169
Cr       1.30467000       2.69864000      25.38968000       0.13024828       0.22161887      -0.64080304
Cr       2.69602000       0.05374000      25.24013000      -0.08364497       0.47680955       0.27243579
Cr       1.70994000       4.21693000       6.29836000      -0.49700512       0.09663867      -1.47769902
Cr      -1.19953000       4.20242000       6.15275000      -0.78515174       0.21852672      -0.76567111
Cr       0.23778000       1.70856000       6.37254000       1.66522284      -1.24119057      -3.01151270
Cr       2.78470000       4.85361000      18.22195000      -2.58505643       0.51750202       1.40373038
Cr       2.98759000       1.77551000      27.56811000      -0.93588950      -0.82254333       1.74454875
Cr       0.04211000       3.32933000       8.67306000       0.90201386       1.18272606       1.89987195
Cr       0.19222000       0.17204000       3.78653000       1.00481999      -2.05516440      -0.09293422
Cr       2.99746000       1.77107000      13.72020000       1.12888895       0.72829882      -0.26739787
Cr      -0.22338000       3.44114000      23.00487000      -1.05307070       1.13449794      -0.62750972
Cr      -0.27858000       1.61018000      20.63253000      -2.23787469      -0.08626866       0.96887656
Cr       1.22608000       4.08458000      20.61024000      -1.58866733       0.22146229      -0.70028858
Cr      -1.72396000       4.18455000      20.74381000      -1.94982911      -0.59591106      -1.25381038
Cr       3.05166000       3.49878000       1.38226000      -0.98899294      -0.20971707       2.09296592
Cr       1.71848000       0.85034000       1.47219000      -1.78189809      -1.06591568       0.64688669
Cr       4.64468000       1.11165000       1.36235000      -0.26857774      -1.52636878       2.83225229
Cr       3.05253000       0.06897000      11.13376000       0.66534298       1.80312569       0.53012219
Cr      -1.45307000       2.76654000      11.26095000       2.27819012      -2.29784224       0.96989785
Cr       1.62752000       2.66896000      11.12175000      -0.34374873      -1.02585228      -0.04031691
O        0.88859000       0.66431000      19.52855000       2.56448882      -0.39839020      -0.75317731
O        4.19326000       0.61730000      19.38926000       2.94541186      -1.49119443       1.13137196
O        2.70172000       3.26226000      19.56806000      -0.25012623       1.05085269      -0.55860795
O        4.33035000       2.58765000       0.14778000       0.07531132       0.20741157       0.13530729
O        1.63921000       2.39276000       0.35551000       0.82775322       1.40033733      -1.29476465
O        3.28374000       0.14965000       0.46262000      -1.59099352       0.70240747      -2.00317846
O        1.39838000       4.28901000       9.80688000      -0.22827356      -0.59631842       0.88270248
O       -1.27846000       4.18468000      10.03292000      -0.08604704       1.73079264      -1.76673638
O        0.05245000       1.88442000       9.99305000       0.54434763      -0.03123684      -0.03496867
O        1.77404000       1.01877000      12.57741000      -1.27989005      -0.86432938      -3.25688981
O        4.56985000       1.21328000      12.60048000      -0.85638694      -0.47896742      -1.01261636
O        2.96784000       3.37296000      12.33165000       0.28901906       0.81925014       0.96326567
O        4.26717000       2.55081000      21.84976000       0.98433611       0.27594849      -0.26846400
O        1.04240000       2.58213000      21.88543000       0.92330297      -0.87302144      -0.83018010
O       -0.35051000       4.95634000      21.82961000       1.03281016       0.66920960      -0.53517531
O        1.73496000       4.37702000       2.70686000       0.64731250       0.78743826      -1.00063351
O       -1.45528000       4.30776000       2.59414000      -0.04940076       0.48245527      -0.50528039
O        0.11495000       1.79400000       2.64358000       0.66788748      -0.87713315      -0.55452659
O        1.68843000       0.73630000       5.05480000      -0.24981449       0.81963587       0.57456525
O        4.87705000       0.73578000       5.08193000      -1.86075204       1.71393845       1.47549197
O        3.09291000       3.63531000       5.05803000       1.05049405      -0.66512011      -0.12580018
O        4.31556000       2.56379000      14.98062000       0.20244590      -0.64709308      -0.31490263
O        1.45039000       2.46131000      14.93285000       1.27825527      -1.19892339      -0.54508852
O        2.97973000       0.09247000      14.79462000      -1.59623461      -0.42096104      -0.89376503
O        1.06963000       4.26132000      24.24220000       1.41709474       0.31848988      -1.11002636
O       -1.73783000       4.23303000      24.22614000       0.78292986       0.59076324      -0.37669788
O       -0.16025000       2.03089000      24.23185000       0.34811029      -1.97118255       0.63282653
O        2.52640000       5.01194000      21.57951000       1.68127781       0.38622559       1.77063185
O        3.02424000       1.71902000       2.48062000       1.64686945       1.34551338      -0.58634501
O        0.24851000       3.59187000      12.08027000      -1.09792344      -1.04312532       0.66026798
O       -2.74464000       5.05425000       7.20807000       1.06091720       0.31694986       1.31468260
O        2.86688000       1.48819000      16.97423000      -0.84730226       0.48875130      -0.25953447
O       -0.27555000       3.46638000      26.34946000       1.02254824       0.47373873       0.84241663
O        0.08471000       0.09930000       0.40498000       1.01629362      -0.01755194       0.12890480
O        3.20888000       1.76973000      10.23925000      -1.79571264      -0.00848461      -2.15106214
O       -0.41815000       3.21365000      19.60083000       1.24268848       1.08160567       0.68977367
O       -0.15385000       1.31920000      16.80533000       1.58831940       1.26652918       4.45958579
O        1.28416000       4.12367000      16.88628000       1.50025008      -0.66417667       2.13894485
O       -1.68508000       4.23746000      17.14597000       0.30750773      -0.74177690      -0.03359921
O        2.84313000       3.38530000      26.46498000      -0.52045924      -0.66841546      -0.05149337
O        1.50414000       1.04966000      26.36410000      -0.21380464      -0.00644398       1.33588689
O        4.20995000       0.92216000      26.27395000      -0.21050650      -0.17700561       0.70291676
O        0.19843000       4.81900000       7.36079000      -0.40566098       1.36149651       0.39631231
O       -1.13986000       2.52858000       7.31081000      -1.34285166       0.53820607       0.70962763
O        1.57988000       2.70209000       7.53673000      -0.17781239      -1.34185565      -0.38924357
Zn      -0.06915000       0.13186000      27.13380000      -0.04950044      -0.03095404      -0.82442172
Zn       3.17235000       1.59844000       8.00129000      -0.34516856       0.05366394       0.87607424
Zn      -0.14204000       3.06094000      17.75687000       0.02633144       0.39135328      -1.35496863
Zn       5.62923000       0.28463000      23.49293000      -0.04171876      -1.42589981       0.22411693
Zn       3.29840000       1.84202000       4.33792000      -0.13195736      -0.70528504       1.03322055
Zn       0.06428000       3.32490000      13.90885000      -0.64013899       0.24072961       2.06147005
Zn       0.15148000       0.12190000      13.49337000      -0.48779940      -0.20127017      -0.24900605
Zn       2.90975000       1.83296000      22.92354000      -1.66270202      -0.80691150       0.16803190
Zn       0.36194000       3.41832000       3.78734000      -0.47048381       0.34112761      -0.19445953
Zn       0.05839000       0.07210000       9.16155000       0.35058728      -0.02427628       1.16374585
Zn       2.63410000       1.28112000      18.81469000      -1.51451377       1.47334032       0.80950746
Zn       0.10418000       3.49660000      28.45810000       0.15871635      -0.36346065      -0.74670823
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.46740975 magmom=71.9981846 free_energy=-551.46740975 stress="-0.029950705850419562 0.0007506359313865729 0.0036178036021432877 0.0007506359313865729 -0.03458636277087286 0.002695022442559412 0.0036178036021432877 0.002695022442559412 -0.045471872229431554" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.27973000       0.66517000      16.02519000       1.75413644       1.12703424      -1.15826706
Cr       4.23214000       0.70277000      16.02261000       1.55106827      -0.17268813       0.10270608
Cr       2.91977000       3.33156000      16.14864000      -0.09097176      -0.85752210      -3.36898944
Cr       4.12140000       2.60642000      25.28889000       1.43792030       2.36306304      -0.91452030
Cr       1.28242000       2.65458000      25.26694000      -0.18635074       0.46883391       0.74820332
Cr       2.59014000       0.09651000      25.20027000       2.92279572       0.18726839      -0.40403421
Cr       1.67373000       4.24764000       6.19487000      -0.71390161      -0.50445426       1.19829785
Cr      -1.25340000       4.25520000       6.12383000       0.70646577      -1.43323759       1.21943747
Cr       0.22507000       1.65932000       6.30068000       0.96921706       0.73930858       0.06170674
Cr       2.63467000       4.86268000      18.22238000       3.07594743       1.56134013       3.11476838
Cr       2.96156000       1.79071000      27.51957000      -1.30470173      -0.88579618       4.24016855
Cr       0.13129000       3.31722000       8.62559000       0.01643229       2.43825866       0.27807793
Cr       0.28105000       0.10205000       3.85886000      -1.08915340       0.71617035      -0.97445742
Cr       3.00303000       1.75563000      13.75075000      -0.00212185      -0.31117375      -1.68388940
Cr      -0.22595000       3.54397000      22.95900000      -0.28500362      -2.19812884      -0.61169924
Cr      -0.24302000       1.51514000      20.67611000       0.53750315       1.23590891       0.08488586
Cr       1.25583000       4.11813000      20.54275000      -0.29971161      -1.11537692       3.13965407
Cr      -1.74164000       4.03839000      20.66283000       0.21533334       2.54001930       0.03974906
Cr       2.89833000       3.54834000       1.48778000       2.74503775      -2.97120290      -2.22880750
Cr       1.68598000       0.75945000       1.50669000       0.01529987       1.31198885      -1.71099528
Cr       4.60834000       1.04503000       1.39976000      -0.62316243       0.05768727      -0.59631098
Cr       3.14494000       0.14130000      11.12112000      -0.53098510      -1.65392480       0.32187947
Cr      -1.46962000       2.71475000      11.27669000       1.10509946       0.32323744      -1.44250698
Cr       1.60507000       2.59141000      11.03638000      -1.25869455       0.68276347       0.96636254
O        1.09587000       0.59252000      19.48762000      -2.29072039      -1.20691505       0.70204032
O        4.38157000       0.51537000      19.48644000      -1.37752402       2.15888641      -1.31542311
O        2.82937000       3.31275000      19.51057000      -1.67279195      -0.39758680      -0.94057596
O        4.26012000       2.56242000       0.19375000       1.08239031       0.88642176      -0.01141795
O        1.75933000       2.34396000       0.31091000      -1.85910171       1.90841677       0.13684305
O        3.17028000       0.19345000       0.28201000      -0.24002050      -0.09315607      -0.29227924
O        1.46314000       4.25200000       9.83919000       0.15253576      -0.18127922       0.55208594
O       -1.20628000       4.22610000       9.90064000       0.66635321      -0.10875903       0.84363474
O       -0.02285000       1.86366000       9.79862000       0.71242197      -0.47665370       2.08575867
O        1.73653000       1.01718000      12.43600000       0.25961289       0.24240661      -1.42766290
O        4.47429000       1.22602000      12.61305000      -0.34768036      -0.90048048      -1.92748540
O        3.02675000       3.61576000      12.39730000      -0.10433926      -2.35803418      -0.55975321
O        4.33911000       2.58991000      21.84680000      -0.45861360      -1.72316091       0.51937019
O        1.04616000       2.58971000      21.72490000       0.89545288      -0.80142223       1.23278396
O       -0.33789000       4.94809000      21.72109000       1.21222763       0.98219967      -0.50445754
O        1.81633000       4.58049000       2.51136000      -2.04765353      -0.38830346       3.35669774
O       -1.46534000       4.33771000       2.66628000       0.47503317      -0.83446053       0.01692296
O        0.21711000       1.66150000       2.49532000       0.41083908       0.75857327       2.00696097
O        1.73901000       0.74069000       5.10885000      -1.09980291       1.32379001      -0.56144894
O        4.74907000       0.84569000       5.23270000       0.80484087      -0.66586404      -0.82117228
O        3.12828000       3.63893000       5.03017000       0.03588263      -0.85670639      -0.37193636
O        4.31641000       2.36620000      15.02689000       0.67241872       0.98485165      -0.37008673
O        1.70378000       2.37002000      14.99203000      -2.60771963       0.33645424      -1.25021488
O       -0.05632000       5.03408000      14.85422000      -0.60713865       1.21139777      -0.28315318
O        1.20712000       4.14410000      24.03881000      -0.04195696       1.50764577       1.03123001
O       -1.65080000       4.34610000      24.10214000      -0.29282352      -0.79078002       0.54069311
O       -0.27495000       1.91740000      24.31096000       0.50936364       1.02214124      -0.64349770
O        2.69918000       5.00509000      21.68228000      -0.16317789      -1.03868599      -1.41816747
O        3.11260000       1.72132000       2.41845000      -0.27541142       1.03139210       1.52108909
O        0.16597000       3.42349000      12.04413000      -0.25429479       0.91238969       1.22677268
O       -2.65132000       5.00770000       7.24021000      -1.07164873       0.70154813      -0.26534692
O        2.80247000       1.68188000      16.97834000       0.14480786      -2.44062359       1.59373932
O       -0.13053000       3.66191000      26.26628000      -0.60513828      -1.75758436       0.78258296
O        0.08790000       0.11366000       0.42319000       0.74488859      -0.61158088      -0.27218502
O        2.97958000       1.73545000       9.99369000       0.98543572       0.28780209       1.42377726
O       -0.23670000       3.25035000      19.72705000      -0.30007005      -0.39906195      -1.49903712
O       -0.07771000       1.50469000      17.12490000      -1.03350380      -3.09685106      -0.82374439
O        1.40974000       4.05403000      17.05414000      -1.07537887       1.00810510      -0.14002113
O       -1.66673000       4.18179000      17.18193000      -0.50032042       1.30608623       0.01253727
O        2.75383000       3.39487000      26.49643000      -0.33748954      -0.01021037      -1.38078744
O        1.45521000       0.98886000      26.38167000      -0.06276963       1.29423452       0.36805487
O        4.14189000       1.03263000      26.31698000       0.91874425      -1.56912283      -0.80433230
O        0.06845000       4.89425000       7.35502000       1.74778922       0.17538011      -0.02668174
O       -1.20155000       2.62926000       7.38570000       0.43796698      -0.68278097      -1.04628174
O        1.58064000       2.61327000       7.38844000      -0.44904741       0.06774258      -0.30016154
Zn      -0.06601000       0.15223000      27.13249000      -0.93329850      -0.32131170      -0.30382409
Zn       3.20367000       1.61230000       8.10945000      -0.39004945       0.02870867      -0.81172991
Zn      -0.21500000       3.16467000      17.84350000       0.44669312       0.99972038       0.06169807
Zn       5.59986000       0.28985000      23.46788000       0.16201326      -1.34990853       0.90094962
Zn       3.40366000       1.76810000       4.34247000      -1.46306706       0.35759786      -0.31017635
Zn       0.12481000       3.26045000      14.04150000      -0.17864266      -0.27877493       0.55958034
Zn       0.14559000       0.17148000      13.46217000      -0.21236649      -0.08804486       0.07312779
Zn       2.90735000       1.81319000      22.96096000      -1.17372976      -0.26407126      -0.78440882
Zn       0.33548000       3.42383000       3.77094000      -0.34674287      -0.03085763      -0.86108446
Zn       0.25208000       0.05357000       9.16834000      -0.72639570      -0.33390227       0.74117123
Zn       2.56164000       1.37788000      18.90026000       2.49037558       1.44350089       0.00044440
Zn       0.09632000       3.46053000      28.38036000      -0.03515550      -0.52983526      -0.38343027
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-548.16763088 magmom=72.0037329 free_energy=-548.16763088 stress="-0.03810972159830433 0.0007494289608348278 -0.0037518679039259145 0.0007494289608348278 -0.04425178925941297 0.008710937663683577 -0.0037518679039259145 0.008710937663683577 -0.0480077259032739" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32257000       0.74422000      16.10869000       0.12951751       1.15969947      -1.37818066
Cr       4.27026000       0.70925000      16.11807000      -0.67686058      -0.37975688      -0.48112847
Cr       2.90699000       3.43793000      16.12426000      -1.18587448      -3.46132455      -2.20712478
Cr       4.02959000       2.71881000      25.32834000       4.14997239      -0.39590519      -1.88898346
Cr       1.25763000       2.62975000      25.19219000      -0.94604938       1.07253277      -0.21890814
Cr       2.63898000       0.17263000      25.18755000       2.43070395      -1.01570772       0.61764687
Cr       1.58199000       4.24612000       6.13273000       1.51674723      -1.00658049       0.38693741
Cr      -1.26843000       4.24850000       6.16246000       0.42760519       0.06312062       0.21964786
Cr       0.26157000       1.65132000       6.20333000      -1.71580176       1.44588823       0.91238439
Cr       2.61671000       4.91919000      18.28632000       1.41572919      -1.04866446       3.36820594
Cr       2.88569000       1.79826000      27.59846000       0.09851763       1.29776004      -0.29052567
Cr       0.23825000       3.43645000       8.61424000      -0.12463128      -0.76881455      -0.40126215
Cr       0.32845000       0.04000000       3.88551000      -1.90567888       0.92661129      -0.06877100
Cr       3.02788000       1.71967000      13.66649000      -1.09214137      -0.23152606      -2.35951411
Cr      -0.23722000       3.55275000      22.85967000       1.42069532      -1.79405717       0.36474048
Cr      -0.17880000       1.47597000      20.73277000       0.80865013       0.58492610      -0.71174336
Cr       1.29858000       4.11759000      20.58301000       0.41452002       0.18063011       0.91445434
Cr      -1.75721000       3.97826000      20.54906000       2.61778177      -1.45646638       1.30968958
Cr       2.85600000       3.46628000       1.52137000       2.05126604       1.26977419      -0.34550866
Cr       1.63085000       0.70704000       1.45559000       1.18540198       2.18608681       0.08870792
Cr       4.54228000       0.97102000       1.43611000       1.02384742       0.98929505      -0.24229927
Cr       3.21322000       0.13388000      11.11019000      -2.18397458      -2.68330163      -1.20677524
Cr      -1.40762000       2.66297000      11.22119000      -0.17141714       0.84822734      -1.89847151
Cr       1.49985000       2.54503000      11.00388000       0.02006155       1.79738619       2.19773208
O        1.03664000       0.36837000      19.54070000       1.27681037       3.30455747      -1.40546086
O        4.40833000       0.71885000      19.48841000      -1.75867161      -0.47039320       0.46610596
O        2.68422000       3.35231000      19.36016000       0.17111118      -0.36348376       1.42919947
O        4.30536000       2.63882000       0.23906000      -0.56017927      -1.11731255       0.05782635
O        1.63795000       2.67760000       0.24022000       0.86292586      -1.72431296       1.05220943
O        2.93219000       0.25742000       0.01997000       1.24459646      -1.04336851       2.43927544
O        1.51540000       4.14884000       9.99633000       1.10465081       1.68725877      -1.50631752
O       -0.95478000       4.26057000       9.87840000      -1.50876841      -0.39408472       0.48571580
O        0.06946000       1.86895000       9.92143000      -0.66517546      -0.33935888      -0.77592271
O        1.72395000       1.01992000      11.97975000      -0.86876218      -1.87686983       4.00657502
O        4.24857000       1.09183000      12.27564000       2.76755293      -0.27251347       2.30840139
O        3.10102000       3.39592000      12.37364000      -0.77959385      -0.18014431       0.75438319
O        4.42100000       2.41827000      21.85800000      -1.09444942       0.43319417      -0.14601392
O        1.18456000       2.48041000      21.74455000       0.36534846       0.19898850       0.94197127
O       -0.07936000       5.00713000      21.53691000      -1.49062046      -0.20237052       1.41276554
O        1.68761000       4.65850000       2.76886000      -0.24006128      -1.80729627      -0.81853204
O       -1.46104000       4.30447000       2.66138000       0.85774265      -0.50472392      -0.94379600
O        0.37454000       1.56395000       2.63316000      -1.44168326       1.11029228      -0.10205569
O        1.56272000       0.89973000       5.09854000       1.97500453      -1.32021097      -0.93356359
O        4.74041000       0.83424000       5.30548000       0.13102450      -0.93737472      -2.18343616
O        3.20440000       3.54794000       4.96398000      -0.55899140       0.28848666       1.02989044
O        4.34234000       2.28214000      15.00707000      -0.00639023       1.33707901       0.07948563
O        1.62059000       2.29052000      14.86884000       0.65005939       0.82694154       1.19930599
O        2.67355000       0.02550000      14.85828000       1.62211654      -0.24003939      -0.15554679
O        1.25146000       4.21488000      23.98861000      -1.87534461       0.09359007       0.82906786
O       -1.52200000       4.32447000      24.07429000      -1.95417828       0.41837024       0.36712064
O       -0.29808000       2.00158000      24.26743000      -0.30552298      -0.37620608      -1.35163331
O        2.87762000       4.84146000      21.57126000      -1.92722499       0.71334703       1.96377546
O        3.24459000       1.93800000       2.52371000      -1.33774695      -2.32865927      -0.86475085
O        0.00970000       3.36628000      12.22280000       1.52320954       0.82513300       0.46724639
O       -2.70052000       5.08511000       7.20538000      -0.45218911      -0.51736468       0.83143377
O        2.76163000       1.53384000      17.12191000       0.81289998       0.69962714      -1.04513628
O       -0.08089000       3.60211000      26.22829000      -1.72212636      -0.33198397       0.49051199
O        0.19846000       0.00883000       0.46578000      -2.09034807       0.29091248      -1.03791609
O        2.87068000       1.74580000      10.00485000       2.56823422       0.14819304      -0.18822621
O       -0.11668000       3.22384000      19.71508000      -1.14919295      -0.95395748       0.00440121
O       -0.14057000       1.33056000      17.40195000      -0.35138300       3.40216575      -3.89229554
O        1.31969000       4.05231000      17.18042000       0.67449250       0.99821655      -2.14363072
O       -1.71660000       4.32944000      17.18681000      -0.13071391      -1.26200719       0.16462916
O        2.58111000       3.40765000      26.29274000       1.39363522       0.61242621       1.80486732
O        1.41021000       1.13658000      26.42784000       0.43043545      -0.92162231      -0.19045661
O        4.21894000       0.89213000      26.22236000      -1.69876897       1.86675921       0.75536288
O        0.22019000       4.97050000       7.30192000      -0.29259731      -0.08776529       0.48622245
O       -1.14093000       2.66257000       7.29196000      -0.11523836      -0.35474220       0.84954456
O        1.47961000       2.57018000       7.17627000       2.17739939       1.38427626       2.42919391
Zn       5.78810000       0.15555000      27.10972000      -0.35244566      -0.55668182      -0.03939608
Zn       3.22227000       1.63400000       8.19244000       0.09423306       0.61447377      -1.97471213
Zn      -0.27341000       3.32078000      17.91562000      -0.05945741      -0.99299062      -1.37137429
Zn       5.58189000       0.22697000      23.47900000       1.17968697       0.22574030      -0.02665650
Zn       3.44926000       1.69428000       4.34941000      -1.60372921       0.40824980       0.77066310
Zn       0.17574000       3.17913000      14.23156000      -2.11662267       1.63299198      -1.00612606
Zn       0.12709000       0.21723000      13.42415000       0.11784342      -0.96968423      -1.07156634
Zn       2.83148000       1.76978000      22.98015000      -0.49121282       0.01440424      -1.28235792
Zn       0.28390000       3.43229000       3.72422000      -0.19985907      -0.04396308      -0.05438053
Zn       0.44405000       0.01676000       9.21928000      -1.30615036       0.21533202       0.16225010
Zn       2.56761000       1.55542000      19.01989000       0.20941984      -1.91760004       0.84969056
Zn       0.08226000       3.39522000      28.26065000      -1.41362125       1.07824561      -1.05878195
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.37854361 magmom=72.0217755 free_energy=-550.38014979 stress="-0.03314442098991837 0.002911365138801556 -0.00158488738821572 0.002911365138801556 -0.036715718165096826 0.0035566374805511085 -0.00158488738821572 0.0035566374805511085 -0.03586830314082686" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36637000       0.86194000      16.11633000      -0.23107314      -1.27265377      -1.78651465
Cr       4.31579000       0.68065000      16.22609000      -1.93207840       2.92030965      -6.12392414
Cr       2.83269000       3.39933000      16.03957000       1.26076775      -1.62063622      -1.41025328
Cr       4.12949000       2.78764000      25.33150000      -0.51340561      -0.56872213      -3.13071391
Cr       1.19658000       2.66688000      25.14482000       0.36653196       0.03921828       0.74275508
Cr       2.80348000       0.20557000      25.23561000      -3.21608827      -1.01250256      -0.78218837
Cr       1.57511000       4.18314000       6.10351000       2.48931013       0.38151920       0.24914533
Cr      -1.25457000       4.23437000       6.23110000      -0.40009024       1.23024063      -0.40914576
Cr       0.24866000       1.73107000       6.16699000       0.32089416      -0.66981087       0.68736013
Cr       2.66331000       4.96697000      18.38733000      -0.50700709       2.15543463      -1.96832542
Cr       2.85188000       1.85552000      27.62814000      -0.73870812       0.34610101       0.78577272
Cr       0.33644000       3.52569000       8.59271000       0.34947149      -1.98450971       1.06078965
Cr       0.27554000       0.01912000       3.87174000       0.15833641      -1.29489365      -1.34996969
Cr       3.00712000       1.65257000      13.46912000       0.10997312      -2.16436503       2.96326006
Cr      -0.19611000       3.46055000      22.79451000      -1.25992258       0.11996207       1.49051800
Cr      -0.07632000       1.47100000      20.75110000      -1.12281384      -0.95370201       0.46423451
Cr       1.36036000       4.13405000      20.65409000      -2.95137133       0.02749937       0.29338007
Cr      -1.65815000       3.90539000      20.50631000      -0.52175198       1.87773600       2.43153130
Cr       2.95480000       3.42511000       1.50972000       0.61062778       1.63198356       1.02297871
Cr       1.61754000       0.78456000       1.39185000      -1.56848885       1.28372852       1.88521344
Cr       4.52012000       0.95907000       1.44513000       0.60339665      -1.19196502       1.09960524
Cr       3.17081000       0.00096000      11.06685000       0.98743565       1.21476322       1.98758676
Cr      -1.35120000       2.65042000      11.10888000      -0.13688807      -1.36950332       1.85365950
Cr       1.42766000       2.57238000      11.11073000       3.64118572      -0.34396515       1.58209643
O        1.12288000       0.57842000      19.48974000      -0.53973403      -1.22088962       0.78039176
O        4.23507000       0.83637000      19.57417000       2.41214128      -2.45500610       0.38117962
O        2.60877000       3.41193000      19.48721000       1.60760915       0.24111833      -0.35173446
O        4.25887000       2.52862000       0.28856000       0.56989855       0.04905279      -0.98387902
O        1.61830000       2.70623000       0.37325000      -0.96127990      -1.83069442      -1.07535603
O        2.90596000       0.21381000       0.15262000       1.56689822      -0.10186616      -0.57753327
O        1.68830000       4.25756000       9.93819000      -0.75909595      -0.46278617      -0.15684305
O       -0.93533000       4.17291000       9.92500000      -1.30652652      -0.02350937      -1.07276494
O        0.10111000       1.87345000       9.94038000       0.22016411       0.09349648      -1.40105314
O        1.62278000       0.82524000      12.10851000       0.21848936       0.51936562       0.77657796
O        4.43926000       0.93094000      12.22129000       0.15382739       0.34311224       0.84815689
O        3.07040000       3.07108000      12.36559000      -0.62962291       3.24498158      -1.61837670
O        4.38966000       2.35254000      21.80392000      -0.22907285       0.95356028      -0.30847413
O        1.30693000       2.44384000      21.89107000      -1.10940327       0.67118539      -1.11174516
O       -0.06764000       4.93221000      21.60133000      -1.70806429       0.25240395       0.28960044
O        1.60622000       4.42958000       2.89828000       1.81747564       0.51110871      -2.77077439
O       -1.39841000       4.26762000       2.50777000      -0.36907264       0.22750997       0.31825344
O        0.27025000       1.59157000       2.76529000      -1.03555711       0.04912115      -1.96392479
O        1.61366000       0.84044000       5.00201000       0.80537458      -0.36190707       1.03775736
O        4.84977000       0.64680000       5.04978000      -0.68072374       1.99985396       0.80390294
O        3.19551000       3.55115000       5.09784000       0.18393713      -0.99411698      -0.44090975
O        4.27270000       2.41334000      14.98348000      -0.05092284      -0.01504556      -0.36952249
O        1.67815000       2.34949000      14.95842000      -0.57904241       0.61001567      -1.66236788
O        2.74758000       0.15820000      14.86656000       0.94229996      -1.47521923       0.08543562
O        0.96209000       4.30915000      24.10423000       2.38307340       0.38697605      -0.78411589
O       -1.64328000       4.32692000      24.11710000       0.55057688       0.54380602      -0.07668549
O       -0.33100000       2.06855000      24.03557000       0.12140146      -2.18212494       1.87470700
O        2.79148000       4.78797000      21.63791000       1.30683581       1.01086904       0.31871010
O        3.09628000       1.76276000       2.44939000      -0.64923967      -0.79201980       0.29102926
O        0.08516000       3.44268000      12.34525000       0.27529541      -0.20492467      -1.62239764
O        0.13732000       0.00354000       7.23329000       1.05434912       0.02553056       0.23895468
O        2.86106000       1.49342000      17.08544000      -0.51083875       1.77306868       1.98811456
O       -0.30219000       3.46067000      26.21262000       1.59000953       1.29476278       1.05509104
O       -2.93224000       5.09101000       0.41209000       0.20247805       0.89711783      -0.09063393
O        3.14398000       1.78350000      10.11520000      -1.14625937      -0.55004697      -1.39999119
O       -0.19540000       3.03946000      19.73711000       1.56885759       1.56258676      -1.14058582
O       -0.21693000       1.55080000      17.11277000       1.36308273      -0.25009642       2.10717686
O        1.24888000       4.14411000      16.94901000       0.95638913      -1.59664396       2.85778349
O       -1.82829000       4.33228000      17.19602000      -0.24137010      -0.00965794       0.46005028
O        2.61033000       3.50340000      26.30306000       0.23934775      -0.90227989       0.55392573
O        1.45640000       1.16750000      26.37693000      -0.67981178      -0.77938568       0.23762067
O        4.06193000       1.08653000      26.27085000       1.79906838       0.20151764       1.54085484
O        0.32735000       4.97424000       7.31156000      -1.52550187       0.95669618       0.18915629
O       -1.04526000       2.65522000       7.31218000      -0.49526547      -0.16243846       0.82660383
O        1.62534000       2.71313000       7.32409000      -0.20992182      -1.48048653       0.25674518
Zn       5.71541000       0.13230000      27.08430000       0.24439657       0.65325325      -0.02340371
Zn       3.24402000       1.68676000       8.17219000       0.15601678       0.46502440      -0.55821945
Zn      -0.32496000       3.43538000      17.90849000       0.60581544      -0.94570341      -1.59191358
Zn       5.61394000       0.16327000      23.50233000      -0.12448930      -0.13796769       0.51957850
Zn       3.40415000       1.64861000       4.38160000      -1.34081481       0.66729804       0.23896655
Zn       0.11203000       3.18274000      14.37970000      -1.67360418       1.59560475      -0.55538357
Zn       0.11281000       0.21731000      13.35413000      -0.14958672      -0.88295428      -0.15087621
Zn       2.73131000       1.72289000      22.95460000       0.80286112      -0.30360762      -0.26505960
Zn       0.21497000       3.43118000       3.68112000      -0.81816649      -0.57130182       0.36936336
Zn      -2.39317000       5.10263000       9.27915000      -2.56387135       0.95358335      -0.38705629
Zn       2.59304000       1.63631000      19.15839000       0.68611579      -1.33549419      -1.70729208
Zn       0.00650000       3.37427000      28.09928000      -0.11546947       0.49332679       1.33433369
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.84976607 magmom=72.0028239 free_energy=-551.84976607 stress="-0.043561945882814375 0.0005721706509125464 -0.003794695566687425 0.0005721706509125464 -0.030119709814454936 -0.002083807344743899 -0.003794695566687425 -0.002083807344743899 -0.04109723125102289" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38485000       0.90098000      16.04299000       0.12281334      -1.35895499      -0.55133235
Cr       4.31246000       0.76026000      16.13208000       0.00677035       1.17671545      -2.15427409
Cr       2.82847000       3.31999000      15.95745000       0.36389871       1.21478560       0.64566728
Cr       4.18625000       2.79420000      25.22726000      -1.47261568      -1.44022157       0.49489879
Cr       1.17403000       2.69916000      25.16155000       1.46788944      -0.73409384       1.41629848
Cr       2.80683000       0.21480000      25.28613000      -1.28305659       0.32263979       0.02422292
Cr       1.70212000       4.14750000       6.11256000      -0.15602459       1.86086971       1.55066540
Cr      -1.25769000       4.27569000       6.28126000       0.51929577      -0.39588453       0.39269323
Cr       0.24358000       1.77195000       6.18918000       0.91664218      -1.43717879       0.50857989
Cr       2.63958000       5.10725000      18.36268000       1.46385992      -1.16076768      -1.14280114
Cr       2.79637000       1.92130000      27.67357000       0.53034683      -2.05638459       0.18973095
Cr       0.43060000       3.49998000       8.62161000      -1.92822488      -0.63306382       0.76457281
Cr      -2.71475000       5.06243000       3.77042000       0.96116060       0.30247198       0.59355791
Cr       3.00138000       1.52497000      13.42843000       1.47807017       1.65913959       2.78572332
Cr      -0.22571000       3.36535000      22.84678000      -1.04828681       0.79734540       2.23488474
Cr      -0.05145000       1.42654000      20.75629000      -1.18392595       2.29618286       0.26235929
Cr       1.30444000       4.17134000      20.69870000      -0.15187431      -1.98478755       1.31095945
Cr      -1.59017000       3.94259000      20.57625000      -0.59053985       2.81965940       0.41507023
Cr       3.07468000       3.45023000       1.49699000      -0.66170365      -1.87910943      -2.30948840
Cr       1.53763000       0.90861000       1.38648000      -1.41457860      -2.63065274      -0.11998411
Cr       4.51623000       0.89695000       1.48682000      -2.07279783      -1.06743173      -1.00557212
Cr       0.20680000       5.03741000      11.09392000       0.76879797       1.89195671      -0.61213233
Cr      -1.31113000       2.56906000      11.09005000       0.43237560      -0.80778961       0.26569228
Cr       1.55424000       2.57840000      11.27168000       0.53303057      -1.84381023      -4.20359189
O        1.13952000       0.59568000      19.55443000       0.77512339      -0.61659050      -0.56139535
O        4.40757000       0.58477000      19.70809000      -1.65270928       2.73778555      -1.46065300
O        2.80505000       3.50326000      19.58123000      -1.50886750      -0.92515388      -1.38911042
O        4.27085000       2.42952000       0.23663000       0.39770880       1.35657234       0.17723385
O        1.53044000       2.45430000       0.37851000      -0.40253046       2.59331379      -1.01735344
O        3.08765000       0.16325000       0.25974000      -1.28515126       0.16335763      -0.91905782
O        1.66002000       4.27461000       9.88737000      -0.05836767      -0.29375830       1.41944236
O       -1.05835000       4.06415000       9.88441000       0.70571866       0.95839444       0.35143801
O        0.18372000       1.92793000       9.79211000       0.70682549      -0.65830479       1.50070783
O        1.65479000       0.75681000      12.36999000       0.50930948       0.37724759      -1.95357657
O        4.58067000       0.93556000      12.34124000      -2.01444775       0.25253236      -0.91915201
O        2.97911000       3.15671000      12.20908000       2.31276805       0.70865907       2.15936889
O        4.36873000       2.47615000      21.70795000      -0.34913558      -1.89530194       1.37494719
O        1.18291000       2.54608000      21.82059000       0.90363448      -0.87195961       0.41214866
O       -0.32374000       4.85506000      21.72313000       1.45019554       1.42648007      -0.36913152
O        1.84922000       4.29744000       2.57449000      -2.17869538       0.55650272       1.84590028
O       -1.43953000       4.32414000       2.44221000       0.86063336      -0.37800072       1.39552136
O        0.00064000       1.55465000       2.60594000       1.48428129       0.75533426       0.90593018
O        1.73332000       0.67053000       5.08824000      -1.59631545       0.91999255      -0.52629696
O        4.87981000       0.75701000       4.97957000      -0.20504562      -0.18259960       1.24117828
O        3.21890000       3.45950000       5.17893000       0.22911479      -0.01298298      -1.43724290
O        4.16240000       2.49246000      14.88069000       1.16245116      -1.06319852      -0.48222574
O        1.69238000       2.37748000      14.76861000      -1.62426750      -0.38184926      -0.70841741
O        2.99727000       0.07915000      14.89755000      -1.21084746      -0.18341177      -0.16600128
O        1.03069000       4.38609000      24.07867000       0.45690293      -1.04128090       0.01095076
O       -1.61007000       4.37064000      24.16964000       1.17087672       0.07773853      -0.55130052
O       -0.32120000       1.88349000      24.12455000       0.43807992       1.08084814       0.65793810
O        2.82582000       4.90285000      21.69285000       0.17510288      -0.70616256       0.15889543
O        2.91321000       1.51148000       2.43381000       2.00955950       2.59251528       2.02094937
O        0.19972000       3.46759000      12.15625000      -1.48665908      -0.50630656       1.66735532
O        0.22381000       0.02904000       7.26084000      -0.17520468       0.06427646      -0.25722792
O        2.89704000       1.70915000      17.19234000      -0.34492594      -0.64682861      -0.64961301
O       -0.29267000       3.54964000      26.23940000       1.10070546       0.71512984      -1.30866116
O        5.80552000       0.07951000       0.39501000       2.14754135      -0.99291706      -0.69464744
O        3.24071000       1.70547000      10.05301000      -1.49066123      -0.76366717       0.48409455
O       -0.04636000       3.11979000      19.68524000      -0.31986882       0.56133062      -0.67446862
O       -0.11468000       1.71387000      17.00947000      -0.21632650      -1.60278163       0.98734840
O        1.38618000       4.11928000      17.04536000       0.00320748       1.49719510       0.84894716
O       -1.93962000       4.32515000      17.19844000       1.11422380       0.87580164      -0.88118981
O        2.69466000       3.42678000      26.38382000      -0.55553555       0.19751342      -0.73326396
O        1.40193000       1.08543000      26.34824000       0.07788636       0.58729227       0.15234289
O        4.15075000       1.25456000      26.45941000      -0.22692429      -1.30759542      -1.57642322
O        0.19517000       5.02348000       7.34478000       1.09068958      -0.23744486      -0.34848415
O       -0.99377000       2.66147000       7.42906000      -0.26086121       0.04300108      -0.69934059
O        1.68961000       2.68113000       7.46873000      -0.34517052      -0.31238983      -2.03731846
Zn       5.66055000       0.14198000      27.05937000       0.25415446       0.39746534       0.34266892
Zn       3.27426000       1.75487000       8.11653000       0.46668164      -0.30684788      -0.11176286
Zn      -0.34794000       3.49249000      17.82584000       0.63429547      -0.41479369      -0.48021575
Zn       5.64107000       0.09859000      23.55055000       0.11340234      -0.56469254       0.23296298
Zn       3.29467000       1.63980000       4.41585000      -0.82779475       0.15007086      -0.45500023
Zn      -0.04043000       3.27545000      14.47476000       0.22844551       0.33905745      -0.85190001
Zn       0.09417000       0.16167000      13.30568000      -0.02110246      -1.37299194       1.12263913
Zn       2.67184000       1.66819000      22.92305000       0.28524834       0.08046244      -0.52512193
Zn       0.12634000       3.40861000       3.65415000       0.26836931      -0.11458484      -0.50167899
Zn       0.52651000       0.02335000       9.30504000      -2.16297543       1.13545880      -0.56527426
Zn       2.66154000       1.63393000      19.21890000       0.93630207      -0.07047430      -0.88062725
Zn      -0.07566000       3.38631000      28.02560000       0.44962902       0.31190667       3.46582410
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.95209876 magmom=72.0016386 free_energy=-552.95209876 stress="-0.03794475325675655 -0.006630153275296127 -0.007594163553531739 -0.006630153275296127 -0.0359557019008525 0.0023336367610539035 -0.007594163553531739 0.0023336367610539035 -0.0349347522759708" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38702000       0.85794000      15.95515000       0.33611348       0.76121888      -1.53327163
Cr       4.35156000       0.87827000      16.00403000       0.42958671      -1.16081559       0.56181651
Cr       2.85692000       3.33537000      15.93545000      -1.54194047       1.15633099      -0.67183690
Cr       4.13508000       2.71653000      25.17224000       0.54353463       0.36380804       1.43943374
Cr       1.25265000       2.68396000      25.26665000       0.74196370       0.12348267      -0.54227549
Cr       2.72933000       0.26999000      25.34140000       1.56046471      -0.40509628      -2.37231584
Cr       1.81889000       4.21516000       6.19674000      -1.43275409       1.12266042      -0.46669205
Cr      -1.22410000       4.29165000       6.33337000       0.80840025      -1.03607149      -1.78331473
Cr       0.28227000       1.73104000       6.23637000      -0.00402848       0.10467041      -1.14099843
Cr       5.62050000       0.10216000      18.26486000       2.20225863      -2.10605392       2.87421129
Cr       2.77443000       1.86291000      27.73162000       0.97904227      -0.81706073      -2.20014462
Cr       0.41829000       3.42795000       8.68721000      -1.20866198       0.40575253      -0.15270654
Cr      -2.71100000       5.02053000       3.71837000      -1.33239763       1.28719171       3.06764741
Cr       3.05875000       1.49520000      13.55151000      -1.82181194       1.90027395      -1.75655250
Cr      -0.29814000       3.33063000      22.99983000       1.82002142       0.84104089      -1.20612874
Cr      -0.10106000       1.47537000      20.72945000      -0.74066678       1.55402474      -0.71207585
Cr       1.25377000       4.14204000      20.76145000       2.07147809       0.93354010      -1.13110577
Cr      -1.59144000       4.09774000      20.66388000      -0.96004785      -1.56410989      -0.79995450
Cr       3.13086000       3.39040000       1.36931000      -1.79082004       1.00250847       2.08411276
Cr       1.44344000       0.92243000       1.36977000       1.51890729       0.13971198       1.45144792
Cr       4.42669000       0.78097000       1.46736000       0.66463527       0.53782188      -0.27083950
Cr       0.23198000       5.05932000      11.11048000      -1.04886928      -1.28396072       0.64540147
Cr      -1.26203000       2.46297000      11.09787000       0.10501923       1.74081127      -0.07944321
Cr       1.71753000       2.51413000      11.23795000      -0.38288384       0.88005546      -0.66644458
O        1.20784000       0.49473000      19.54997000       0.12049105       2.38375403      -0.69410317
O        4.33570000       0.70307000      19.62818000       1.11933995      -0.58165320      -0.01613621
O        2.82089000       3.48566000      19.47034000      -0.58380323       0.74896993       0.73056305
O        4.31695000       2.50078000       0.21886000      -0.49143735      -1.17767905      -0.31660688
O        1.38579000       2.57962000       0.25827000       2.02255689      -0.46573917       0.82997685
O        3.03104000       0.19740000       0.21490000      -1.18229728       0.24618962      -0.14407341
O        1.58090000       4.19047000      10.05939000       2.04379209       0.09669671      -1.01510065
O       -1.02161000       4.09771000       9.92658000      -0.88771386       0.01825035      -0.76138079
O        0.37903000       1.90326000       9.91137000      -1.06568606      -0.71697616       0.29467143
O        1.82717000       0.82704000      12.24990000      -1.46561633      -0.41143404       0.41245785
O        4.36185000       0.96641000      12.29502000       2.40518938      -1.45644396       0.67819439
O        3.18782000       3.31159000      12.31370000      -0.16453304      -0.98703535       0.36660790
O        4.35156000       2.40014000      21.80867000      -0.19674446       0.20691165       0.14509320
O        1.10720000       2.52519000      21.81502000       0.80483613      -0.66449824       0.98403822
O       -0.28149000       4.94422000      21.78927000       1.04211594      -0.27543130       0.46837621
O        1.81230000       4.29909000       2.52323000      -0.97452997      -0.45058239       0.54518942
O       -1.42531000       4.32499000       2.54990000       0.64585199      -0.41852059      -1.46155301
O       -0.00664000       1.55113000       2.54693000       0.52569185       0.03470957       0.40111782
O        1.54030000       0.66321000       5.10318000       0.65892353       0.97287302      -1.00442140
O        4.86710000       0.82814000       5.16615000      -0.95785345      -0.85104927      -1.39183478
O        3.25219000       3.46444000       5.05435000       0.03270243       0.80868029       0.18642692
O        4.18533000       2.37252000      14.77615000       0.57993427       1.01410086       1.69691576
O        1.44618000       2.28623000      14.50117000       1.03974331       0.27389542       2.40873101
O        3.01876000       0.04602000      14.91686000      -1.24608028       0.59499911       0.06847423
O        1.16113000       4.21378000      24.05408000      -0.53327627       0.54372946       0.56599224
O       -1.38871000       4.38122000      24.15334000      -2.63759991       0.27681021       0.07893421
O       -0.22853000       1.89499000      24.34143000      -0.29909143      -1.00501957      -1.63483962
O        2.87970000       4.92360000      21.69040000      -0.90523248       0.03646966       0.62232650
O        3.01182000       1.70033000       2.55450000      -0.21689459       0.04219262      -2.28718146
O        0.13568000       3.36124000      12.13455000       0.41636399      -0.28233205       1.06699676
O        0.29735000       0.05376000       7.23753000      -0.70664201      -0.44613314       1.73711747
O        2.85788000       1.79325000      17.08401000       0.06320482      -1.18511255      -0.62186971
O       -0.09283000       3.71664000      26.12355000      -1.39347706      -1.77539379       2.91774108
O        0.11734000       0.01867000       0.35969000      -1.16507539      -0.52160167      -0.73392505
O        3.08939000       1.54202000      10.06960000       0.84997766       1.88623047      -1.04186134
O        0.02317000       3.32775000      19.57315000      -1.83570239      -1.10919394       0.95377401
O       -0.04627000       1.58861000      17.06394000      -0.77495566       1.32725719      -0.35712400
O        1.49456000       4.28341000      17.20569000      -1.53414144      -0.11259043      -2.77733509
O       -1.85361000       4.44025000      17.01454000       0.63429571      -1.35017739       0.51990336
O        2.69327000       3.34974000      26.33674000       0.57107247       1.31734646       0.93354639
O        1.37063000       1.10588000      26.36726000       0.04422318      -0.28326138       1.51642611
O        4.16929000       1.18912000      26.35843000      -1.12352207      -0.39683130       0.57492030
O        0.25656000       4.97804000       7.31766000       1.22641658       0.38338430       0.79310220
O       -0.95939000       2.68544000       7.40535000      -0.74049514      -0.42541007       0.57551141
O        1.62275000       2.63722000       7.27792000       1.38876644      -0.20803130       1.22702956
Zn       5.63120000       0.16873000      27.04767000       0.52975524      -0.52696765       0.02671029
Zn       3.31911000       1.79995000       8.06264000      -0.40433556      -0.69017506       0.23969328
Zn      -0.33217000       3.51881000      17.72614000       0.97929884      -0.32413996      -0.08889761
Zn       5.67780000       0.02629000      23.60860000       0.68609263       0.42074134       0.01671465
Zn       3.15848000       1.63611000       4.43765000       0.19021290      -0.51936496       0.97542775
Zn      -0.16428000       3.37418000      14.50875000       1.03958378      -0.61948245      -2.14091012
Zn       0.07532000       0.04924000      13.31472000       0.25245785      -0.41160284      -0.54937865
Zn       2.64111000       1.62146000      22.88358000       0.41985433       0.19691447      -0.41449825
Zn       0.06125000       3.38163000       3.62416000       0.59878847      -0.16776575       0.24198007
Zn       0.38865000       0.10193000       9.29702000      -0.25614170      -1.04254727       0.20346107
Zn       2.77407000       1.62417000      19.22325000      -0.94025675       0.30469455      -0.89520593
Zn      -0.12283000       3.41988000      28.10510000       0.23505815       1.24264016      -0.29387602
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.86968362 magmom=72.0050941 free_energy=-552.86968362 stress="-0.03438094671016685 -0.0009333898963357038 0.0024790577820420034 -0.0009333898963357038 -0.03874105968354922 0.00842547899822656 0.0024790577820420034 0.00842547899822656 -0.03211549933509054" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37377000       0.84303000      15.82530000      -1.36457899      -0.30382516       1.28025970
Cr       4.43675000       0.89412000      15.98670000      -1.88668099       0.18678888      -1.78527978
Cr       2.80380000       3.42464000      15.90414000      -0.63933335      -0.83416918      -1.26074292
Cr       4.11080000       2.64964000      25.22858000       2.02457789       1.24137781       0.74375330
Cr       1.36350000       2.66539000      25.37648000      -2.25593079       0.16840849      -0.04970107
Cr       2.71155000       0.27686000      25.30269000      -0.52997434      -3.52786609      -0.88561924
Cr       1.84298000       4.32503000       6.26637000      -0.52825215      -1.99322048      -0.19693251
Cr      -1.13344000       4.25386000       6.29596000       0.02944642       0.55209113      -0.97450379
Cr       0.30964000       1.69860000       6.23112000      -1.06759770       0.93256183       0.20841841
Cr       5.73157000       0.09988000      18.26817000       1.08306554      -1.66034950      -1.30967189
Cr       2.79329000       1.75945000      27.72253000       0.53307966       1.80910471      -1.88826807
Cr       0.33635000       3.37566000       8.74770000       1.13921532       0.33210123      -0.19327779
Cr      -2.77585000       5.05316000       3.80191000      -0.86196881       0.60493033      -1.86396269
Cr       3.03811000       1.59156000      13.58100000      -0.27406984       0.60216019      -1.83352543
Cr      -0.26706000       3.34957000      23.08279000       1.29151991      -0.16310506      -1.37822030
Cr      -0.18988000       1.60715000      20.64667000       0.77875812       0.38563531       1.97386138
Cr       1.31797000       4.13512000      20.75514000      -0.33655841       0.07933280      -0.53214540
Cr      -1.65341000       4.19292000      20.69713000       0.37893613      -0.31961075       0.29274989
Cr       3.07179000       3.35469000       1.28418000       0.15407376       3.05250291       2.11536282
Cr       1.45473000       0.93672000       1.37561000       0.13482324      -0.39424959       1.08054492
Cr       4.35768000       0.69652000       1.41570000       1.77828257       1.16167848      -0.02146648
Cr       0.21208000       5.02341000      11.14363000       0.23654923      -0.77103275       0.02563522
Cr      -1.20610000       2.45453000      11.12517000      -0.33579970       0.27089064       0.94069635
Cr       1.83545000       2.49334000      11.15551000      -1.23206023       1.20616321       1.37653986
O        1.26738000       0.70751000      19.46981000      -1.21450670      -0.31419221       1.02174634
O        4.45282000       0.74609000      19.51501000      -1.05075557      -0.49774101       0.29604148
O        2.72388000       3.61474000      19.48845000       0.78368103      -1.24366372      -0.08865003
O        4.30500000       2.36686000       0.17211000       0.61172549      -0.32067239       0.01679643
O        1.57118000       2.68570000       0.29201000      -1.03228979      -0.95933231      -0.12512852
O        2.80098000       0.24399000       0.18739000       1.39444863      -1.31186944       0.74254467
O        1.75282000       4.13182000      10.08269000      -1.19171563       0.36953751      -0.92468573
O       -1.06332000       4.13064000       9.88323000       0.06338288      -0.42940701       0.26408308
O        0.35892000       1.82702000      10.09229000      -0.76015095       0.54217066      -1.59408762
O        1.79702000       0.85730000      12.15840000      -0.10608443      -0.58112752       1.49652994
O        4.45813000       0.79688000      12.32979000       0.15377539       0.41486182       0.36974664
O        3.38463000       3.20845000      12.46446000      -1.50135833      -0.34153959      -0.96119829
O        4.36606000       2.38664000      21.91536000      -0.72566185       1.16360885      -1.00613204
O        1.11467000       2.43260000      21.92622000       0.22525815       0.77429169      -0.88879360
O       -0.04904000       4.91136000      21.87973000      -1.65843123       0.03555797      -0.44901987
O        1.60348000       4.32552000       2.64738000       0.70610729      -0.45522012      -0.20213766
O       -1.41797000       4.30261000       2.46707000      -0.49622667       0.29901679       0.25449079
O        0.11608000       1.50206000       2.59561000      -1.50533479       0.52700697       0.02866243
O        1.44251000       0.81311000       4.98071000       1.35574518      -0.86700680       0.83330296
O        4.75222000       0.75499000       5.14655000      -0.07370715       1.15701503      -0.62683949
O        3.27275000       3.62764000       5.02072000       0.14489880      -1.98756737       1.37563475
O        4.22483000       2.40697000      14.92521000      -0.36649021       1.30513741      -0.96729228
O        1.43705000       2.27328000      14.68070000       0.62841466       2.91616033      -0.76407816
O        2.83227000       0.17635000      14.89383000       1.78537059      -1.66810581      -1.34235607
O        1.13367000       4.12312000      24.17263000       0.41957862       1.94338134       0.19191064
O       -1.53018000       4.38569000      24.17874000       0.93260157      -1.29537346       0.77424078
O       -0.18474000       1.84435000      24.30406000      -0.39120815      -0.17086742       0.45792138
O        2.78164000       4.96218000      21.69680000       0.19278765       0.80613976       0.21479749
O        3.09723000       1.85527000       2.32618000      -1.05175932      -2.84515968       2.44587943
O        0.14231000       3.22116000      12.24485000       1.15126132       1.37152472      -0.04743082
O        0.27938000       0.00246000       7.38989000       0.82383093       0.30285660      -1.20009223
O        2.82407000       1.67815000      16.79700000       0.16866342       0.59512202       2.81205699
O       -0.11615000       3.61757000      26.35006000      -0.64734987      -0.24448817      -1.77802772
O       -2.78348000       5.00260000       0.28837000      -1.54583139       1.37261419       0.26925838
O        3.11734000       1.64924000       9.99830000       1.55900977      -0.41184399       0.00291762
O       -0.22425000       3.35582000      19.69844000       0.65081553      -0.21285286      -0.93081399
O       -0.06016000       1.65961000      17.03662000       0.39007574      -0.35535008       0.58435172
O        1.42043000       4.44178000      16.93096000       0.59957362      -2.13608140       2.14832966
O       -1.70645000       4.33875000      16.86974000      -1.60833223       0.50244549       1.48179686
O        2.78709000       3.47251000      26.39454000       0.03538323      -0.99156057       0.10734163
O        1.40464000       1.09914000      26.56386000      -0.15049754      -0.22001033      -1.12174451
O        4.01173000       1.08403000      26.32131000       1.70957766      -0.05116810       1.19060770
O        0.47766000       4.93082000       7.40698000      -1.92767693       0.43783344       0.68899989
O       -0.97950000       2.67019000       7.41612000       0.47749292      -0.06764343      -0.10677431
O        1.72452000       2.60139000       7.24760000      -0.27161459       0.01046745       0.82270732
Zn       5.62906000       0.17018000      27.03792000       0.15755150       0.24302888       0.09934671
Zn       3.33960000       1.80409000       8.02423000      -0.73614167      -0.83617927       0.59373034
Zn      -0.25897000       3.52157000      17.63420000       1.52632126      -0.58544458       0.95988288
Zn       2.78653000       5.08786000      23.66499000      -2.00372885       0.86835832      -0.67351342
Zn       3.04048000       1.61704000       4.48515000       1.46391558       1.10167740      -0.83198495
Zn      -0.22093000       3.44021000      14.43333000       1.56387351      -0.17877765      -2.02146235
Zn      -2.88131000       5.02993000      13.31622000       0.22140022       0.02978833      -0.10958927
Zn       2.63749000       1.58936000      22.84053000       0.75122604       0.17364752       0.09855363
Zn       0.03070000       3.34750000       3.60728000       0.28451813       0.04688521      -0.28183974
Zn       0.23764000       0.12558000       9.29808000       0.37842420      -1.24677003       0.75689264
Zn       2.83513000       1.64120000      19.17388000       0.09232796       1.25727645      -1.44025366
Zn      -0.15125000       3.50553000      28.19251000       0.36431284      -0.35869524       1.21831869
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.3261804 magmom=72.0008138 free_energy=-553.3261804 stress="-0.0383340726438342 -0.0015485635090350708 0.006701705892224689 -0.0015485635090350708 -0.03935044458364375 -0.005388450635167326 0.006701705892224689 -0.005388450635167326 -0.03018811929476883" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30429000       0.83616000      15.76242000       1.79809455       0.71780372       0.63068396
Cr       4.44302000       0.89025000      15.97121000      -3.04077737       0.88948009      -1.33685854
Cr       2.72404000       3.49001000      15.84301000       2.83155789      -0.67586249       1.57760196
Cr       4.19602000       2.62930000      25.37074000       0.90460509      -2.53599106      -0.57584785
Cr       1.36526000       2.66078000      25.51164000      -1.94063072       0.06720382      -2.13794718
Cr       2.68751000       0.10423000      25.25765000       0.30635672       0.57521766       2.00309149
Cr       1.81105000       4.33419000       6.33626000       0.24089253      -1.21069748      -0.10645270
Cr      -1.03188000       4.23326000       6.19541000      -1.16559613       0.68892434       0.60402657
Cr       0.28913000       1.72824000       6.22519000       0.32415863      -0.19171305       0.03001087
Cr      -0.00424000       0.01442000      18.20757000      -2.05881326       0.40504489       1.97065575
Cr       2.82174000       1.75796000      27.66012000       0.69164872      -0.48924931       1.21020100
Cr       0.30373000       3.34956000       8.78705000       0.65786637       0.38056509      -2.06294075
Cr       0.05604000       0.00194000       3.81128000       0.80993817      -1.38482990      -0.01380227
Cr       2.98189000       1.70963000      13.50918000       0.97731441      -2.10420681       2.34759543
Cr      -0.14192000       3.35474000      23.07712000      -0.86747253      -0.49298409      -0.07539918
Cr      -0.25208000       1.74315000      20.64083000      -0.33478317      -1.53530410       0.98122908
Cr       1.37113000       4.14899000      20.71044000      -1.83755342       0.70031416      -0.75998628
Cr      -1.70613000       4.27292000      20.73358000       0.68866270       0.44378126      -0.01100222
Cr       3.01047000       3.42551000       1.30468000       0.37114839      -0.95675494       2.30025733
Cr       1.49221000       0.94985000       1.40545000      -2.17141576      -1.25138567       1.01531527
Cr       4.38584000       0.68630000       1.36811000       0.18369791       1.11435262       2.13508695
Cr       0.19891000       4.94017000      11.19719000       1.17748167       1.98764002      -0.42328255
Cr      -1.15000000       2.47457000      11.22301000       0.24606097      -0.81635540      -0.32505229
Cr       1.87596000       2.52468000      11.12940000      -1.56588203      -1.06369803      -0.56397129
O        1.12338000       0.88566000      19.56533000       1.27532694      -0.81103866      -0.49387299
O        4.47325000       0.63376000      19.46697000      -1.13361379       0.70632679      -0.03336372
O        2.78324000       3.56557000      19.51695000       0.44389762       0.00185742      -0.41922890
O        4.38544000       2.18056000       0.15532000      -0.60146082       2.59378892       0.09436440
O        1.58151000       2.58790000       0.33157000      -0.82053850       0.14043208      -0.98330198
O        2.83954000       0.14443000       0.29198000       0.37700057       1.52288119      -0.76365847
O        1.67194000       4.07955000       9.96343000      -0.39846098       0.39891400       1.01741711
O       -1.05619000       4.06826000       9.92413000      -0.88126068       0.87672915       1.12449230
O        0.22154000       1.89157000      10.02471000       1.62202239      -1.53832280      -0.03537488
O        1.79407000       0.82515000      12.29456000      -0.34027334      -0.19269065      -0.86383303
O        4.55441000       0.72337000      12.39070000      -0.94187279       1.09190242      -0.34513141
O        3.29161000       3.05517000      12.34181000      -0.27785500       3.44219807      -0.86153770
O        4.31829000       2.64311000      21.82683000      -0.49911870      -0.53316320       0.72514315
O        1.12977000       2.52963000      21.85944000       0.84138407       0.00049872      -0.08670997
O       -0.11133000       4.81707000      21.84404000      -0.53639144       1.83185213      -0.06477128
O        1.57950000       4.31805000       2.69910000       0.47545899      -0.87665042      -0.78067087
O       -1.58398000       4.35827000       2.41335000       0.56623344      -0.57621796       1.19292119
O       -0.00366000       1.47492000       2.61526000      -0.33997778       1.34055146      -0.64920818
O        1.48359000       0.76115000       5.04088000       0.04276612      -0.62692228      -0.05240870
O        4.67032000       0.80122000       5.04984000       0.73689149      -0.00249778       1.48781665
O        3.30231000       3.55094000       5.21972000      -0.73176696      -0.27252223      -1.18818617
O        4.17137000       2.62098000      14.93774000       1.00822569      -1.37874952      -1.29718726
O        1.57515000       2.64762000      14.79512000      -2.60090119      -2.75627224      -2.95358354
O        2.87827000       0.17773000      14.68695000       0.10584455       0.77571377       1.37959000
O        1.11896000       4.31177000      24.34904000       0.86703847      -1.34722316      -1.00460171
O       -1.54697000       4.15097000      24.33474000      -0.65423152       1.42021684      -2.40607482
O       -0.21214000       1.82264000      24.31875000       0.78497469       0.22369797       0.23158604
O        5.64955000       0.03667000      21.69171000       0.56556325      -0.33355786       1.02990866
O        2.99019000       1.59278000       2.37981000       0.15869314       1.61305197       1.22280500
O        0.33384000       3.33377000      12.26258000      -0.29412296      -0.32842214      -0.06122357
O       -2.56386000       5.10242000       7.30285000      -0.19469859       0.55881199       0.36147827
O        2.81447000       1.63295000      16.89929000       0.01194112       0.29712916       0.43811003
O       -0.26787000       3.42889000      26.31751000       1.14980567       0.92978285       1.49321967
O        2.87581000       5.09906000       0.34684000       1.22007126      -0.25813302      -0.59691317
O        3.40134000       1.74405000      10.02086000      -1.42234089      -1.08876162       0.69365460
O       -0.38047000       3.35453000      19.67421000       1.72377209       1.14728029      -1.79562755
O       -0.01479000       1.67324000      16.99667000      -0.15340204      -1.64080372       0.06747913
O        1.39598000       4.27308000      16.89047000       1.02160163       1.99611495       1.16573557
O       -1.83379000       4.29195000      16.97306000       1.81730246       0.71922057      -0.46201186
O        2.89425000       3.40946000      26.46722000      -1.43204691      -0.27448045       0.97355125
O        1.42216000       1.02161000      26.53836000      -0.00190620      -0.08808673      -0.72563161
O        4.07959000       0.95270000      26.42718000      -1.02613760       0.20701593      -0.98271199
O        0.39925000       4.90776000       7.56942000      -0.37582114       0.80257697      -1.14785303
O       -0.89311000       2.67939000       7.38945000      -1.32668026      -0.43952969       0.16970539
O        1.72571000       2.60381000       7.36698000      -0.79486833       0.28679025      -0.02392874
Zn       5.64051000       0.17976000      27.02965000       0.86425464      -0.39523958       0.61919282
Zn       3.32680000       1.76058000       8.01203000       0.17245466      -0.25809744       0.42988078
Zn      -0.10879000       3.49985000      17.59345000      -1.32647493      -0.19730775       1.35364981
Zn       2.76237000       5.08034000      23.69083000      -0.00463871       0.44835952      -0.59966378
Zn       3.00160000       1.65827000       4.49213000       1.16032964       1.11380483      -1.03353428
Zn      -0.19113000       3.48872000      14.23900000       0.94943085      -0.91148002      -0.89177782
Zn       3.03140000       4.89259000      13.32284000       0.18877158       0.63055257       0.12593459
Zn       2.67659000       1.56647000      22.80976000       0.48367231       0.34521481      -0.01709048
Zn       0.01646000       3.31322000       3.58415000       0.03330066       0.24711104      -0.21194309
Zn       0.10387000       0.08295000       9.32660000       1.29160805      -0.25299529      -0.43944308
Zn       2.88237000       1.72479000      19.04271000      -0.17149425      -0.82322779      -0.97148735
Zn      -0.16403000       3.57297000      28.32427000       0.09615796      -2.76927999      -0.56730201
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.04783476 magmom=72.0014569 free_energy=-552.04783476 stress="-0.03372845424059255 -0.006578990245617745 -0.0026288286230870964 -0.006578990245617745 -0.03867869267063518 -0.005123842973005639 -0.0026288286230870964 -0.005123842973005639 -0.041973434331117165" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31012000       0.85386000      15.77987000       2.09021707       0.00921696      -1.09322367
Cr       4.29865000       0.93286000      15.92850000       0.78169079      -0.08418143       0.13698952
Cr       2.76342000       3.50772000      15.85488000       1.71771977      -1.51274768      -1.20240804
Cr       4.29899000       2.48450000      25.52123000      -1.03327773       1.41815834      -3.58342133
Cr       1.29139000       2.63823000      25.59235000       0.59957346      -0.13579343      -3.26646495
Cr      -0.27333000       5.05578000      25.32721000       0.01297215       0.64250229      -1.42126480
Cr       1.79067000       4.26645000       6.41286000       0.67970867       1.04804475      -0.88978489
Cr      -1.00896000       4.23245000       6.12697000      -2.34839743      -0.70783958       1.31557838
Cr       0.28503000       1.75565000       6.22907000       0.40806377      -1.15221441      -0.38070812
Cr      -2.90848000       5.06813000      18.21391000      -1.16386007       0.92672375       2.39529079
Cr       2.86743000       1.77220000      27.65140000      -1.32643285      -1.93276253       2.04437082
Cr       0.27959000       3.35165000       8.72507000      -2.33344898       0.47994589       1.16747761
Cr       5.86891000       0.00430000       3.80834000       1.17775458      -0.46227716       1.89604901
Cr       2.97519000       1.74034000      13.50797000       0.28538875       0.66528457      -1.93309822
Cr      -0.05661000       3.34311000      23.04245000      -1.95243310       1.19863140      -0.28321541
Cr      -0.32092000       1.80660000      20.67567000       0.45075653      -0.38471158      -1.13087905
Cr       1.32080000       4.22144000      20.61626000      -0.73247279       0.70651407      -0.19193033
Cr      -1.72590000       4.38959000      20.73818000       0.80187864       0.14264521      -0.79454430
Cr       2.97921000       3.44165000       1.41754000      -0.66796145      -2.05299293      -0.58399493
Cr       1.43783000       0.90537000       1.46634000      -0.84212296      -0.18282177      -0.44052310
Cr       4.41465000       0.77284000       1.43308000      -1.62046085       0.94752923       0.67785964
Cr       0.24315000       4.98041000      11.23622000      -0.16042401       2.69304852      -0.99773880
Cr      -1.08945000       2.45268000      11.30625000      -0.80128368       0.75504244      -1.69396718
Cr       1.81995000       2.49294000      11.07350000      -0.11224422      -1.47989029      -0.03508796
O        1.11894000       0.90772000      19.60404000       0.34594723      -0.00890321      -0.84313136
O        4.29629000       0.62964000      19.47066000       1.79793503       1.23505261      -0.24852813
O        2.91817000       3.56319000      19.50009000      -1.15392295       0.56906566       0.05791822
O        4.31175000       2.39318000       0.22385000      -1.46549843       0.13228991       0.95924657
O        1.38537000       2.46712000       0.22808000       2.10677592       0.05372701       0.99140925
O        2.96828000       0.26638000       0.29771000      -1.43523756      -1.17045521      -0.10027870
O        1.48076000       4.08111000      10.01268000       1.97503735       0.85134259      -0.96158038
O       -1.10516000       4.09647000      10.15038000      -0.08333257      -0.26104414      -1.72554150
O        0.33538000       1.78262000       9.93621000      -0.26022862       0.18024883       0.42262792
O        1.81961000       0.78782000      12.30386000      -0.78884503       0.43115634      -0.23214539
O        4.44464000       0.89165000      12.39508000       1.00041544      -0.42576942       1.28639972
O        3.14572000       3.36868000      12.09577000       1.32667698      -1.23374790       1.57674889
O        4.25404000       2.82342000      21.83134000       0.77407021      -2.10499527       0.50270905
O        1.20718000       2.67819000      21.73875000      -0.12370145      -1.20692804       0.61679272
O       -0.26614000       4.96847000      21.79534000       1.90149245       0.07923188       0.67220556
O        1.69509000       4.20651000       2.58815000      -1.85268137       0.56867447       0.41854834
O       -1.70362000       4.35906000       2.56572000       1.67811516      -0.48095222       0.01362330
O       -0.18052000       1.58564000       2.54267000       1.57857095      -0.09051227       1.08281334
O        1.48716000       0.60588000       5.09405000       0.59408388       2.31403335      -1.97971742
O        4.77297000       0.82770000       5.21087000      -0.99608610      -0.37144463      -0.33726088
O        3.21711000       3.44558000       5.27580000      -0.35131700       1.10288835      -0.97461222
O        4.21015000       2.58817000      14.74083000       0.53153880       0.30912605       0.84333892
O        1.49328000       2.65412000      14.52289000       1.03298235      -1.36580917       2.28358558
O        2.97614000       0.29353000      14.70748000      -1.32166535      -1.68849917       0.71033608
O        1.18835000       4.24445000      24.37087000      -0.00233810      -1.12365415      -0.44675695
O       -1.53872000       4.03088000      24.18714000      -0.29854725       0.63545580       1.03714711
O       -0.11048000       1.89765000      24.38728000       0.09562118      -1.11372149      -0.37975200
O        5.65604000       0.15638000      21.76918000      -0.37394771      -0.52794231      -0.65651579
O        2.85345000       1.51955000       2.61419000       0.98203073       1.29176608      -1.88651749
O        0.47048000       3.40282000      12.19596000      -1.25099636      -1.58452852       0.14370073
O        0.43871000       0.06688000       7.20426000      -1.00758721      -0.74006083       1.79730654
O        2.82215000       1.65935000      17.01338000      -0.44867512       0.69776676      -2.56449297
O       -0.21125000       3.41126000      26.45085000      -0.21459189       0.63726044       1.42900180
O        5.80984000       0.02666000       0.37815000       1.17281288      -0.58312787      -0.11373122
O        3.44199000       1.64309000      10.20273000      -1.45304923      -0.34871790      -1.78462769
O       -0.21910000       3.50078000      19.45103000      -0.09751213      -0.56331345       2.68733245
O       -0.01415000       1.43624000      16.93925000      -0.98349938       2.20447790       0.81446340
O        1.59584000       4.36378000      17.04609000      -1.17652107       0.33031681      -0.57623340
O       -1.64022000       4.33498000      16.93438000      -0.14312224      -0.08688622      -0.61825889
O        2.79632000       3.30190000      26.59957000       0.52031362       1.12335474      -0.81025152
O        1.40785000       0.89948000      26.34310000      -0.17343546       0.35423223       2.12937776
O        4.01883000       0.82349000      26.37593000       0.92706619       0.12458748       1.48839617
O        0.21825000       4.95800000       7.49989000       1.05658744       0.00986245      -0.64279292
O       -0.97598000       2.65424000       7.35255000      -0.93205452      -0.09154632       0.37346742
O        1.55018000       2.67136000       7.45498000       1.89957490      -0.94021626      -0.13990165
Zn       5.69335000       0.17261000      27.04895000       0.15680149      -0.85090427       0.25108538
Zn       3.31498000       1.69937000       8.02738000      -0.30935873       0.49681306       0.94510335
Zn      -0.00136000       3.45908000      17.61652000      -0.30788603      -0.61314517      -0.60662646
Zn       2.72049000       5.10443000      23.68413000       1.05601282       0.27229019       0.02479034
Zn       3.03166000       1.75940000       4.45199000       0.20441887      -0.80360334       0.93349556
Zn      -0.10891000       3.50520000      13.97933000      -0.58870468       0.35277667       0.99066875
Zn       3.05339000       4.78358000      13.34443000      -0.31632558       1.95013873       0.09761307
Zn       2.74717000       1.56061000      22.78687000       0.13573753       0.86887886       0.13080871
Zn       0.00346000       3.29248000       3.56018000       0.12817353       0.58632355       0.40328623
Zn       0.02916000       0.01299000       9.34112000       1.34645244      -0.79010943      -0.04112011
Zn       2.92383000       1.77725000      18.85666000      -1.01911246      -0.56070745       1.36766875
Zn      -0.16584000       3.52366000      28.45625000       0.69363216       0.42305221      -0.52400260
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.52160287 magmom=72.0034606 free_energy=-551.52160287 stress="-0.038740338626965944 -0.007965614898080032 0.001722071333572664 -0.007965614898080032 -0.04012116813806899 -0.005960182720199634 0.001722071333572664 -0.005960182720199634 -0.04138012934984403" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39319000       0.86937000      15.78226000      -2.32680648      -0.32125026      -0.45833442
Cr       4.21833000       0.96432000      15.90944000       3.37568643      -0.75573657      -0.79960893
Cr       2.91508000       3.48769000      15.85133000       0.14509845       1.37849160      -2.27006752
Cr       4.29080000       2.37048000      25.54590000       0.02458241       2.53671114      -2.55067140
Cr       1.28643000       2.57067000      25.56141000       0.80199111       0.00996733      -0.70325785
Cr      -0.27751000       4.97154000      25.36713000       1.09880913       0.60808776      -0.37323424
Cr       1.80322000       4.24449000       6.44676000      -0.80194277       0.40779936      -0.51668455
Cr      -1.13605000       4.21352000       6.12446000      -1.29685518       0.50983408      -0.13584826
Cr       0.29987000       1.71829000       6.22762000      -0.06281247      -0.03249418       0.71643809
Cr       2.94788000       5.09315000      18.35186000      -0.39594183       2.44846787      -3.79421253
Cr       2.83971000       1.73815000      27.68363000      -0.70414630      -0.93058333       1.60037313
Cr       0.14401000       3.38109000       8.70461000       0.56816523       0.14770412       0.72082819
Cr       2.90591000       5.07963000       3.89510000       0.97288725       0.34119552      -0.78168242
Cr       2.99050000       1.77820000      13.43498000      -0.36541321      -0.07261364       1.17207959
Cr      -0.08973000       3.38731000      22.99244000      -0.63433527      -0.27047983       0.39137161
Cr      -0.34863000       1.83256000      20.65144000       2.77537694       0.26567759       0.28878949
Cr       1.24143000       4.34141000      20.52593000       2.37404812       0.14074382       3.41735239
Cr      -1.69707000       4.51307000      20.68583000       1.42647005      -1.94958715       1.47199437
Cr       2.89175000       3.35193000       1.50131000      -2.03812116       2.83057097       1.37711945
Cr       1.35319000       0.84431000       1.49933000       1.88927038      -0.35532517       0.60637634
Cr       4.34213000       0.91889000       1.54015000       0.33411136      -1.63968900      -1.32393654
Cr       3.23110000       0.03447000      11.22142000      -0.10988134      -3.21951837      -0.54789155
Cr      -1.09545000       2.46070000      11.27075000      -2.25927875       0.00370910      -2.77261244
Cr       1.75735000       2.39354000      11.01480000       1.09705820       1.84555799       0.22775495
O        1.20614000       0.92732000      19.48918000       0.59632460       0.45798558       0.20931985
O        4.43511000       0.85062000      19.44832000      -0.71732721      -0.13367136      -1.07947670
O        2.83868000       3.65002000      19.53427000       0.00682444      -1.40482847       0.00404911
O        4.05586000       2.59796000       0.40316000       3.72623506      -2.44284872      -2.32500355
O        1.53532000       2.37720000       0.31599000      -1.32365510       1.57944544       0.39802358
O        2.87666000       0.24696000       0.33689000       0.41532656      -0.62092822       0.58266576
O        1.53544000       4.16576000       9.97072000      -1.12172878      -1.06471982      -0.02151395
O       -1.10533000       4.08991000      10.10847000       0.13182843       0.15384688      -1.23279164
O        0.38307000       1.73862000       9.94098000      -2.12214566       0.17535581      -0.75818543
O        1.78780000       0.85908000      12.22307000      -0.29965790      -0.31133389       0.31433608
O        4.46160000       1.01017000      12.53501000       1.16857602      -1.65770117      -1.27974631
O        3.21901000       3.38964000      12.08988000      -0.19408287      -1.63313013       0.79110645
O       -1.52345000       2.67313000      21.89081000      -1.09420677       0.65774955      -0.68975648
O        1.19600000       2.67042000      21.70925000       0.08605407      -0.12426944       0.19841410
O       -0.13089000       5.05286000      21.80092000      -0.39726315      -0.55011094      -0.20762258
O        1.54412000       4.26028000       2.56838000      -0.58555355       1.01340840       1.28025826
O       -1.61625000       4.28711000       2.70498000      -0.41707247      -0.11663412      -0.61130872
O       -0.08643000       1.59012000       2.62401000      -0.13066888      -0.49215808       0.52516831
O        1.55739000       0.76209000       4.90535000      -0.87823152      -0.44120778       1.47242358
O        4.76565000       0.77099000       5.33336000      -1.06458849       0.58231377      -1.47502365
O        3.07686000       3.60130000       5.15920000       1.02678463      -0.71044345      -0.16530287
O        4.31061000       2.53665000      14.67936000      -0.33571084       0.48922333       0.45936579
O        1.54383000       2.36413000      14.59883000      -0.75494481       2.64615098       0.05369696
O        2.85406000       0.20467000      14.79046000       1.04341243      -0.91578964      -2.26822233
O        1.24349000       3.96087000      24.27608000       0.04103684       2.44881768      -0.00871198
O       -1.54589000       4.05733000      24.18140000      -0.04731956      -0.05265845       1.08712641
O       -0.03312000       1.84193000      24.36901000      -1.45430437      -0.66588592      -0.34800269
O        5.63389000       0.15442000      21.66060000       0.12635789      -0.36236339       0.39804568
O        2.88683000       1.71541000       2.48352000      -0.13929368      -0.47114121       1.57969739
O        0.38203000       3.24057000      12.04201000       0.34746588       1.69939197       1.02866231
O        0.29787000       0.03628000       7.37795000       0.56596540      -0.10651799      -0.46466807
O        2.75877000       1.82727000      16.72087000       0.18240918      -0.16617350       3.38611081
O       -0.11308000       3.50249000      26.68004000      -0.71436199      -1.50429192      -2.32495404
O       -2.83940000       5.03819000       0.43485000      -2.30038106       0.52151583      -0.24321436
O        3.21950000       1.51972000      10.10522000       1.13757217       1.56192415      -1.28694030
O       -0.10290000       3.53852000      19.64640000      -3.00674643      -0.80699739      -2.25296313
O       -0.12662000       1.55764000      16.97401000       0.85102352       0.08838340       0.45730040
O        1.63673000       4.52188000      17.02154000      -0.83497567      -2.08452082       0.12861388
O       -1.40725000       4.32216000      16.71936000      -1.88820959      -0.31217767       2.40226455
O        2.76366000       3.37356000      26.56604000       0.81853779      -1.85919205      -0.65312334
O        1.43218000       0.86350000      26.45364000       0.90506427       0.67955316       0.61776481
O        4.05650000       0.72573000      26.49275000       0.25411680       0.90338336       0.05398934
O        0.21566000       4.94399000       7.28185000       0.03271484      -0.06417976       1.62509462
O       -1.14690000       2.64259000       7.35137000       1.05820050       0.07910068      -0.07236356
O        1.61428000       2.62361000       7.50577000      -0.23756779      -0.28455336      -0.35719341
Zn       5.75658000       0.11696000      27.09360000      -0.22599819      -0.83714587       1.13227446
Zn       3.28209000       1.65725000       8.08878000      -0.78430464      -0.25052453       0.31682744
Zn       0.07317000       3.38209000      17.63019000      -0.11801059       0.22866054      -0.17313596
Zn       5.67847000       0.02949000      23.67698000       0.24230661      -0.55525800      -0.25934685
Zn       3.07831000       1.82381000       4.44549000       0.64276213      -0.63719491       0.06188219
Zn      -0.04644000       3.52662000      13.78687000       0.11402664      -0.30119391       3.06923114
Zn       3.06134000       4.77978000      13.39127000      -0.22669252       1.67469909       0.32949774
Zn       2.82530000       1.60488000      22.78060000      -0.12297733       1.11730325       0.40747398
Zn      -0.00393000       3.30716000       3.56621000       0.06758041       0.84780791       0.48731518
Zn       2.99006000       5.02111000       9.33976000       2.43394853       0.46470917      -0.18320088
Zn       2.91306000       1.79245000      18.71934000      -0.79410393       0.06607567       0.43213336
Zn      -0.13628000       3.46593000      28.57538000       0.42160939      -0.12230049       0.48920434
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.63439927 magmom=72.0009362 free_energy=-552.63440479 stress="-0.033942029813695804 3.595128605187047e-05 0.006065611552331547 3.595128605187047e-05 -0.037206820244471264 -0.004282619631894207 0.006065611552331547 -0.004282619631894207 -0.048828278683118835" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37318000       0.85239000      15.77715000       0.47562776       0.54655667       0.02955559
Cr       4.33696000       0.94952000      15.87679000      -0.56229262      -1.00739524      -0.18352191
Cr       3.07558000       3.54427000      15.76070000      -3.37590704      -0.47986199       0.34145411
Cr       4.23164000       2.38694000      25.48735000       2.22574049       0.16498471      -2.50393978
Cr       1.36560000       2.47736000      25.50380000      -1.44884108       0.19571729      -2.88344692
Cr      -0.21160000       4.95688000      25.40305000       1.78482703       1.07326883       0.49099776
Cr       1.76350000       4.24916000       6.44191000      -1.66420342      -0.40652397      -1.54082487
Cr      -1.31926000       4.21919000       6.13695000       2.49385650       0.59949524       0.91896626
Cr       0.29654000       1.68079000       6.26606000      -1.68947817       0.95315672       0.20581707
Cr      -0.04782000       0.10567000      18.35911000       0.26685786      -1.30140895      -3.35492314
Cr       2.79468000       1.69466000      27.73068000       2.18514717       0.09442081       3.16582523
Cr       0.04950000       3.40638000       8.70621000       2.91571632      -1.24570572      -2.86961206
Cr       2.95108000       5.08509000       3.93179000      -0.54357816       1.16987209      -0.75723506
Cr       2.99261000       1.78080000      13.42746000       0.20078738      -2.94156899       2.27564915
Cr      -0.17091000       3.41776000      22.97113000       0.27935641      -1.00130032       1.46460709
Cr      -0.21843000       1.85702000      20.62513000       0.86516345       0.05440156      -0.43925858
Cr       1.27798000       4.43704000      20.56524000      -0.02150799      -2.14504619      -0.38243246
Cr      -1.62661000       4.53467000      20.64084000      -0.23591319      -2.41697759       0.24420448
Cr       2.74050000       3.40557000       1.59504000       1.48476066       1.41442292       0.21432542
Cr       1.36487000       0.76791000       1.55209000       0.44482519       0.47467855       1.19962742
Cr       4.28631000       0.96418000       1.56614000       1.97092516      -1.79572569       0.26919507
Cr       3.25321000       0.03592000      11.15366000      -0.45301038      -1.99777370      -0.81798314
Cr      -1.21685000       2.48242000      11.07576000       0.07030626      -0.37412057      -0.01930776
Cr       1.72845000       2.39165000      10.96327000      -1.51390680       1.76086818      -0.06748002
O        1.34707000       1.00364000      19.42072000      -1.66082243      -0.96647251       0.98456952
O        4.50395000       1.04984000      19.28418000      -0.90380969      -1.49771570       1.41700811
O        2.73230000       3.55252000      19.55319000       0.59614364       1.96303433      -0.55769705
O        4.24505000       2.42875000       0.32622000      -1.48138970       0.67854530       0.15045905
O        1.51894000       2.47926000       0.48591000      -0.61384178      -0.69832903      -1.14795229
O        2.83278000       0.14589000       0.49047000       0.46736970       0.52222278      -1.20154494
O        1.44043000       4.07665000       9.91243000       1.54751503       0.80035490      -0.03345734
O       -1.11107000       4.12037000       9.89866000      -1.86585411       1.22141885       2.00832724
O        0.11034000       1.81085000       9.88061000       0.95092490      -1.22691072      -0.28912271
O        1.78655000       0.91391000      12.16843000      -0.10083589      -1.12085719       0.24010043
O        4.59906000       0.86665000      12.43096000      -0.74182478       0.07134246      -0.99841797
O        3.25854000       3.07319000      12.18763000      -1.15509282       3.48835373      -0.89507255
O       -1.50291000       2.63510000      21.80801000      -1.31888811       0.87226902       0.00996547
O        1.14149000       2.67497000      21.74332000       0.91066036       0.42731853       0.15560172
O       -0.07494000       4.97971000      21.78170000      -1.25589392       1.66401885       0.78680138
O        1.33598000       4.52998000       2.78139000       1.52395272      -1.53762499      -0.39377508
O       -1.65597000       4.22263000       2.69243000      -0.29899584       0.10326394      -0.48167421
O        0.01186000       1.46597000       2.76878000      -0.94447597       1.86570095      -1.20590658
O        1.45527000       0.84190000       5.00078000       0.89155613      -0.97868677       0.34513982
O        4.62908000       0.78723000       5.21137000       0.70951020       0.02953245       0.60438674
O        3.09918000       3.64413000       5.11114000      -0.61188464      -1.81273090       0.76586454
O        4.31429000       2.54266000      14.72534000       0.81217963      -0.25028705      -0.76423458
O        1.54999000       2.49640000      14.71362000       0.20782898       0.69805150      -1.35878888
O        2.82683000       0.07234000      14.55125000       0.39390140       2.39713369       1.86538335
O        1.22223000       4.03725000      24.21932000      -0.16631238       0.55278931       0.70855117
O       -1.51585000       4.05848000      24.38550000      -1.19802074       0.34953476      -1.62256217
O       -0.20270000       1.77028000      24.32696000       0.81801234       0.59684460      -0.11633643
O        5.66836000       0.10514000      21.55715000       0.46571189       0.63503654       1.65741448
O        2.90211000       1.78560000       2.54839000      -1.16349337      -0.64811961       0.88606055
O        0.29256000       3.33031000      11.95734000      -0.11214202       0.16082368       0.39620080
O       -2.72931000       5.07755000       7.40979000       0.79981532       0.46624296      -0.66574846
O        2.75355000       1.92716000      16.81655000       1.01812592      -1.45814077      -1.74267263
O       -0.15715000       3.31537000      26.42640000       0.12972469      -0.24281817       1.40472797
O        2.87697000       5.04497000       0.53974000      -0.75946579       0.56739152      -0.49932738
O        3.16246000       1.61783000       9.93827000       0.94301701      -0.08051135       2.37079521
O       -0.36544000       3.51069000      19.61908000       2.01071527       0.79304612      -1.20513986
O       -0.12210000       1.60492000      17.01726000       0.68636083      -1.44024732      -0.91612923
O        1.53384000       4.39439000      16.93767000       1.32746157       0.78300005       0.08110972
O       -1.58139000       4.32484000      16.89287000       0.31961317       1.15410042       1.39179101
O        2.87687000       3.20417000      26.40788000      -1.37130429       1.15172244       2.43051947
O        1.55949000       0.89683000      26.63371000      -1.86290232      -1.17761467      -1.31438935
O        4.15021000       0.78201000      26.60373000      -0.53793970      -0.07030444      -0.60221267
O        0.20975000       4.85335000       7.32592000      -0.84753723       1.04791258       1.06562019
O       -1.09307000       2.66599000       7.32080000      -1.08581017      -0.94065839       0.25949143
O        1.62209000       2.55277000       7.43432000      -0.27727270       0.31768504       0.16452776
Zn       5.81063000       0.01415000      27.18945000      -0.07512411      -0.57383570       0.29469281
Zn       3.21525000       1.60923000       8.14434000       0.15777656      -0.03031822      -2.87815952
Zn       0.13963000       3.32977000      17.63888000      -1.00061061       1.32093463       0.54560844
Zn       5.70419000       0.03141000      23.65655000       0.25770379      -1.10816730      -0.52747434
Zn       3.15429000       1.84338000       4.45630000      -0.23116757      -1.10656068       0.53571785
Zn       0.01525000       3.52604000      13.75480000       0.20813386      -1.53748624       1.94303708
Zn       3.05605000       4.87249000      13.46442000      -0.13008706       0.94134256      -0.85662425
Zn       2.89539000       1.70607000      22.80167000      -0.45609032       0.15699123       0.12432437
Zn      -0.01096000       3.36154000       3.60983000      -0.21610865      -0.08201176       0.76614580
Zn      -2.78851000       4.93257000       9.33351000      -0.18146640       0.62665197       0.30772504
Zn       2.86280000       1.81405000      18.62182000       0.40995591       0.56587819       1.77936352
Zn      -0.08109000       3.40728000       0.08928000      -0.09246449       0.20748494      -1.17287049
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.78810849 magmom=72.000335 free_energy=-552.78810849 stress="-0.04086848953475879 0.004658643868035651 0.0022105951828404065 0.004658643868035651 -0.03679699767467734 -0.001669209689668691 0.0022105951828404065 -0.001669209689668691 -0.04133693242691961" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36967000       0.85069000      15.79082000       2.56921686       0.51136298      -0.82185671
Cr       4.44485000       0.87548000      15.83444000      -1.24485593       0.01468959      -1.60369592
Cr       3.07247000       3.59620000      15.70508000      -1.06589489      -1.77922960       1.37526910
Cr       4.23322000       2.42155000      25.36070000      -0.37835644       0.57711679       0.61295275
Cr       1.39683000       2.39328000      25.35740000      -1.19413066       0.77599026      -0.05305732
Cr      -0.06929000       4.99995000      25.48631000      -2.04107304      -0.85076565      -0.01624331
Cr       1.61970000       4.23654000       6.36438000      -0.26568046       0.40140240      -0.68171327
Cr      -1.35619000       4.23865000       6.20297000       1.62041894      -1.12438920       0.90627932
Cr       0.20001000       1.69999000       6.31233000      -0.82362046      -0.44202227      -1.17941048
Cr       5.81022000       0.14890000      18.27237000      -0.75964366      -0.80871470      -0.05288033
Cr       2.84702000       1.66240000      27.86173000      -1.03074834      -0.25109752      -2.38000548
Cr       0.09917000       3.36754000       8.60219000       0.40425013      -1.03189178       1.67656470
Cr       0.02257000       0.05363000       3.92704000       0.23180881      -0.43801380       1.65053978
Cr       3.00811000       1.67467000      13.49385000       0.50415739       2.29101312      -4.30024750
Cr      -0.23633000       3.40419000      23.01721000       0.08290327       1.38605525      -0.24128210
Cr      -0.03828000       1.87357000      20.56901000      -2.56191496       0.54951461       1.16828367
Cr       1.35260000       4.43659000      20.59736000      -1.70577167       0.32811749       1.31157455
Cr      -1.60826000       4.42278000      20.56903000      -0.49478791      -0.45188799       1.68760726
Cr       2.64781000       3.53442000       1.67198000       0.25026861      -3.38058659      -0.87524118
Cr       1.41095000       0.73700000       1.64322000      -1.09012866       1.98647757      -1.29529880
Cr       4.31012000       0.91708000       1.59472000      -1.45313195       1.49516437       1.52265800
Cr       0.29029000       5.03266000      11.04562000      -1.29562230       1.72882916      -0.29670388
Cr      -1.34094000       2.50166000      10.91143000       1.94615568       0.91825245       4.35213273
Cr       1.62838000       2.48262000      10.93414000       0.16176310      -1.01301507       2.00921687
O        1.24057000       0.95592000      19.51143000       0.76744744       0.44620452      -1.35096999
O        4.40130000       0.96498000      19.35378000       0.23078943      -0.09085467       0.72728408
O        2.74681000       3.75187000      19.46718000       0.29862376      -1.23902994      -0.41833842
O        4.24385000       2.34451000       0.28616000      -0.14107412       1.78216406       1.73449091
O        1.47838000       2.44288000       0.52087000       0.86114920      -0.67778253       0.18222774
O        2.87284000       0.14790000       0.48534000      -0.44452460      -0.90196087       0.25292527
O        1.51909000       4.07414000       9.82684000       0.08002097       0.11603020      -0.86592035
O       -1.18535000       4.20251000       9.96294000       1.81392877      -1.10792480      -0.88787768
O        0.01105000       1.74588000       9.75183000       1.46391115       0.14709929      -0.11806251
O        1.83082000       0.83104000      12.14493000      -0.73047864       0.26072171       0.63021260
O        4.56728000       0.74910000      12.11152000       0.36659846       1.23881758       1.77653004
O        3.09295000       3.20205000      12.18505000       0.09632693       0.15746493       0.00311223
O       -1.60763000       2.78468000      21.69624000       0.83519229      -0.65856697       0.07439053
O        1.16587000       2.80104000      21.78924000       0.65358389      -0.13564558      -0.41601361
O       -0.22902000       5.07848000      21.84527000       0.78331784      -0.02118896      -0.37315641
O        1.46553000       4.53312000       2.89345000      -0.61044212      -1.37578843      -0.66461230
O       -1.78368000       4.23029000       2.60960000       1.65126389      -0.18415180       1.40228523
O       -0.06056000       1.58277000       2.70929000      -0.01190077       0.60063497       0.20627366
O        1.43718000       0.71958000       5.19365000       1.06575503       0.93855290      -1.71786991
O        4.67708000       0.77934000       5.20103000      -0.15263563       0.02430931       0.67328415
O        3.05340000       3.48206000       5.24741000      -0.53867381       1.42069871      -0.99869972
O        4.38256000       2.51174000      14.68666000       0.76849126       0.59584594      -0.14861207
O        1.64650000       2.74629000      14.58186000       0.76980009      -1.54995943       0.60499346
O        2.89923000       0.28859000      14.65914000       0.15399090      -3.25797546       1.41701901
O        1.13572000       4.19983000      24.28947000       1.23168686      -1.24842639      -0.73344647
O       -1.59633000       4.11755000      24.34795000       0.63531397       0.24759586      -0.35231226
O       -0.23022000       1.83231000      24.24025000       1.06293667      -0.84332102      -0.90849799
O        5.77652000       0.15295000      21.66047000      -0.24475324       0.22120833      -0.71784121
O        2.72323000       1.68571000       2.68819000       0.92150117       0.75123131      -0.90218887
O        0.19346000       3.43053000      11.93845000      -0.28267012      -2.30434918       0.90170157
O       -2.71217000       5.07740000       7.25197000      -1.02458460       0.04063165       1.52877338
O        2.93643000       1.74275000      16.65472000      -0.53361591       0.85941117       1.54315494
O       -0.15403000       3.11072000      26.31496000       0.69564742       1.66630582       1.79847909
O        5.54901000       0.01848000       0.59155000       2.80413020      -0.90102840      -0.89273370
O        3.20706000       1.68572000      10.08206000      -2.50360964      -1.39144378      -3.21696286
O       -0.29461000       3.57833000      19.42419000       1.79987039      -0.46754927       1.76556222
O        0.00743000       1.44799000      16.88000000      -0.61354409       3.62362278       1.04729107
O        1.66403000       4.36911000      16.87173000      -0.90403973      -0.49609007       0.47819174
O       -1.75239000       4.46401000      17.18725000       2.68226583      -1.16431103      -2.78045129
O        2.79905000       3.17639000      26.57450000      -0.17962535      -0.49606821      -0.20804786
O        1.47081000       0.77000000      26.57730000       0.73134146       0.90899656       0.12103471
O        4.14175000       0.84366000      26.56940000       0.57934474      -0.24096448       0.41227749
O        0.09168000       4.90052000       7.50853000       0.29945582       0.30703624      -1.93239872
O       -1.17176000       2.58400000       7.32418000      -1.01523973       0.24047027       0.44860339
O        1.52264000       2.57892000       7.35492000       0.46652211       0.19284587       1.10796908
Zn       2.90357000       4.99384000      27.29708000      -0.87060251       0.19841425      -0.85750356
Zn       3.15403000       1.56619000       8.08845000       0.01810506       1.21997771       0.25056352
Zn       0.15815000       3.34645000      17.66401000      -0.47372739       0.43495851      -1.50241445
Zn       2.79075000       5.09032000      23.61223000      -0.11422632      -0.20082698       0.01589836
Zn       3.22086000       1.80006000       4.49841000      -0.81850097      -1.30240549       0.42486175
Zn       0.07699000       3.46886000      13.83265000      -0.86181860       0.37962603       0.36359887
Zn      -2.85912000       5.01103000      13.49701000      -0.15084793       0.23193440      -2.26698958
Zn       2.93794000       1.81391000      22.83667000      -0.69086481      -0.37179877      -0.19852184
Zn      -0.02778000       3.41547000       3.69795000       0.00202469      -0.16749814       0.67161697
Zn      -2.69233000       4.89577000       9.33092000      -2.03010588       1.66610078      -0.79024184
Zn       2.82369000       1.86263000      18.61517000       0.15963261       0.20996266       0.91795528
Zn      -0.04925000       3.36568000       0.14955000      -1.17344527       0.27566443      -1.73731933
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.74530436 magmom=71.9955586 free_energy=-553.74530436 stress="-0.02525334878485327 -0.006882334829286258 -0.0037903544098451 -0.006882334829286258 -0.03144062902056797 -0.0028919760904302923 -0.0037903544098451 -0.0028919760904302923 -0.032354025802796185" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49207000       0.88509000      15.79696000       0.56504197       0.96768291      -0.23542496
Cr       4.50312000       0.81213000      15.75356000       0.55463517       2.07749245      -0.01226352
Cr       3.01060000       3.54413000      15.74073000       2.71549849      -1.28674921       0.02265908
Cr       4.24599000       2.47365000      25.29389000       0.45584571      -0.07676441       1.66094056
Cr       1.35478000       2.36040000      25.24589000       0.14526722       1.10903197       1.80612184
Cr      -0.02755000       4.99814000      25.58098000      -0.90813695      -1.28354975      -1.57423921
Cr       1.46401000       4.23159000       6.25993000       1.73430802      -0.40474627       0.47031107
Cr      -1.31033000       4.20924000       6.31063000      -3.22536080       0.11596760      -1.89875068
Cr       0.07144000       1.71113000       6.31166000       1.93834868      -0.40058085       0.29390268
Cr       5.74890000       0.15220000      18.21449000       1.36577395       0.64403640      -0.30075386
Cr       2.87564000       1.61621000      27.88591000      -0.18017016      -0.26525628      -1.24033366
Cr       0.17718000       3.28614000       8.57836000      -0.92594139       0.75599207       0.34293826
Cr       0.04938000       0.09794000       3.99839000       0.56805760      -1.28064919      -0.96765402
Cr       3.05483000       1.65399000      13.36804000       1.54391216       0.86340311      -0.17299285
Cr      -0.26808000       3.46886000      23.02521000       2.32618006       1.12145444      -2.18713185
Cr      -0.00104000       1.89599000      20.55374000      -1.10542689      -0.50067062       1.35766468
Cr       1.35885000       4.44948000      20.67606000      -0.04354754       0.89189199       0.81466556
Cr      -1.62959000       4.31728000      20.54930000       1.08789752       2.63231315       0.01432126
Cr       2.62345000       3.46392000       1.68500000       3.60647294      -1.39812061      -0.71964241
Cr       1.39197000       0.80375000       1.65070000      -1.48574251      -1.22867939       0.06296133
Cr       4.26675000       0.93615000       1.66405000       0.67732527      -0.45637592       0.16337810
Cr       0.21980000       5.00939000      10.95927000       0.04675551       0.89447116       0.61082309
Cr      -1.39601000       2.53154000      10.97352000      -0.41214455      -1.30358689      -0.33830524
Cr       1.55011000       2.51340000      11.01131000       1.05185767      -1.71710177      -1.12097282
O        1.24022000       0.95226000      19.41259000       0.09263033      -0.45077298      -0.56084002
O        4.34932000       0.87916000      19.54346000       0.87347191       1.55136699      -1.99547125
O        2.80430000       3.73425000      19.35454000       0.04396833      -0.53905905       0.50482807
O        4.11488000       2.53772000       0.53294000      -0.18108082      -0.32246731      -0.48652823
O        1.57527000       2.30611000       0.53589000      -1.91913463       1.74274379      -1.36727921
O        2.85377000       0.04690000       0.51944000       0.27533554       0.83223436       0.19992302
O        1.55763000       4.06140000       9.67497000      -0.31881462       0.22764387       1.80456230
O       -0.99592000       4.05888000       9.86599000      -2.83124794       0.85089661      -0.56947890
O        0.18818000       1.74991000       9.67851000      -0.57027460      -0.45296166       1.98610735
O        1.80692000       0.81700000      12.19537000      -1.01643878      -0.17423800      -0.25482823
O        4.47882000       0.87691000      12.05350000      -0.14883734      -0.08705500       1.35205624
O        2.94801000       3.33883000      12.11003000       1.18084367      -0.89930815       0.44908591
O       -1.51513000       2.81842000      21.64466000      -0.24332609      -1.80847901       1.06762997
O        1.22051000       2.90082000      21.76252000       0.46022606      -1.56724782       0.99296587
O        2.69573000       0.00806000      21.83452000       0.70478665      -0.01578786      -0.04029753
O        1.54677000       4.34593000       2.89180000      -1.80893287       1.60993328       0.76332422
O       -1.70544000       4.27935000       2.73823000       0.01940985       0.16642618       0.39544314
O       -0.14350000       1.74241000       2.66673000       0.54485664      -0.88817584       1.01645730
O        1.57085000       0.71033000       5.13202000      -0.64982086       0.71231600       0.43470686
O        4.71550000       0.76071000       5.30221000      -1.80819269       0.81383956      -1.27206752
O        2.94307000       3.60029000       5.21649000       1.24873162      -0.87557750      -1.01352255
O       -1.40772000       2.52131000      14.62034000      -1.45992596      -0.70825436       0.13154879
O        1.87947000       2.65506000      14.53082000      -2.34520677      -1.06064587      -0.05159370
O        2.99921000       0.08471000      14.86391000      -0.17023256      -0.34013788      -2.64029241
O        1.18457000       4.12175000      24.28901000       0.55774559       0.07831514      -0.19477142
O       -1.52390000       4.16927000      24.26559000      -0.17946829      -0.04424479       1.32550459
O       -0.09258000       1.82863000      24.06168000      -1.12054148      -0.52562760       0.92085103
O       -0.07243000       0.22696000      21.59490000      -0.01512470      -0.95086462       0.43813602
O        2.74369000       1.72882000       2.61813000       1.07995484       0.03581186       1.66162101
O        0.07080000       3.21992000      11.99045000       0.40899462       1.45339674       0.87271045
O       -2.83671000       5.09008000       7.28832000      -0.00146831      -0.13508129       0.33244404
O        3.02898000       1.72545000      16.65199000      -0.21175346       0.92736380       1.83811356
O       -0.05565000       3.21465000      26.44761000      -0.74569635       0.21490906      -0.07244750
O        2.76311000       5.10706000       0.61413000       0.04028819       0.43779739       0.35178229
O        2.96595000       1.59253000       9.88353000       0.91531115       0.34952388       1.82684521
O        0.08987000       3.56679000      19.59065000      -2.17216009      -0.09421439      -1.58188829
O        0.06170000       1.78014000      16.84116000      -0.55574220      -3.17624490      -0.55593742
O        1.69834000       4.32078000      16.86511000      -0.82511650       0.71538933       0.47929635
O       -1.55666000       4.47346000      16.97369000      -0.75095267      -0.19579156       0.25077707
O        2.65790000       3.08298000      26.68278000       1.23604986       0.40966435      -1.91105546
O        1.48145000       0.79527000      26.47891000      -0.04068535      -0.12762475       1.03211894
O        4.21652000       0.86677000      26.54898000       0.48227295       0.29382788       0.41240606
O        0.03301000       4.90288000       7.35801000       0.98451923       0.36359831       1.12356973
O       -1.33490000       2.56942000       7.37820000       1.19590019       0.34245182      -0.01082041
O        1.44416000       2.64629000       7.38916000       0.94742620      -1.22487175      -1.46264799
Zn       2.90637000       4.88331000      27.35435000      -0.16626804       0.70430745      -1.15981836
Zn       3.09133000       1.58354000       8.02914000      -0.81950794       0.43006493      -0.52104936
Zn       0.13802000       3.39425000      17.62599000      -0.82209994       2.16156352       0.82348188
Zn       2.81692000       5.02875000      23.56363000      -0.56029272       0.23676586      -0.37674607
Zn       3.23632000       1.69930000       4.56460000      -1.42865159       0.76452223      -0.21864236
Zn       0.10453000       3.42396000      13.94384000       0.56848372       0.10366206       0.01271218
Zn       0.07242000       0.04455000      13.43552000       0.08189809      -0.14063498      -1.40826709
Zn       2.94028000       1.89616000      22.86476000      -0.75045919      -0.63370201      -0.76791044
Zn      -0.04850000       3.45791000       3.82249000      -0.13859453      -0.09954061      -0.06766154
Zn      -2.68886000       4.94146000       9.29103000       0.23106427       0.41938058      -0.32854859
Zn       2.79913000       1.91670000      18.67480000       0.48152056      -0.81505524       0.39703997
Zn      -0.07274000       3.33697000       0.11685000       0.02365270      -1.06695609      -1.15986000
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.94677176 magmom=72.0029339 free_energy=-552.94677176 stress="-0.03718619899736837 0.0023627486513377043 -0.002878166352032691 0.0023627486513377043 -0.03692340515520772 0.004048637569534057 -0.002878166352032691 0.004048637569534057 -0.03475620937608928" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.66010000       0.95118000      15.80063000      -0.44353438      -1.27104964      -0.65577377
Cr       4.59015000       0.84693000      15.69996000      -1.68938023      -0.73090125      -0.97000373
Cr       3.07060000       3.41754000      15.78793000      -0.23550121       0.76095975      -1.40025785
Cr       4.28290000       2.50811000      25.34692000       0.80676579      -1.09313199       0.02141942
Cr       1.31652000       2.38352000      25.25386000       0.58669777      -0.30156714       0.95262981
Cr      -0.04787000       4.96020000      25.62778000       0.93148632       1.57243220      -2.72253145
Cr       1.42396000       4.20309000       6.16813000       1.98853370      -0.00987382      -0.20017994
Cr      -1.42461000       4.19128000       6.32326000      -0.62650275       1.35334554      -1.03376940
Cr       0.03721000       1.68678000       6.31135000       0.60249919      -0.83605578      -1.05632414
Cr       5.75112000       0.20103000      18.14669000       1.07254643      -1.14725672      -0.07626967
Cr       2.88643000       1.54105000      27.83974000      -0.60903243       1.44166445      -0.15226794
Cr       0.21682000       3.23524000       8.60309000      -0.73875261       1.08068268       0.56201070
Cr       0.09226000       0.07380000       4.02116000      -2.34050475       1.00780284      -0.98718774
Cr       3.14368000       1.69871000      13.23513000      -3.65335845      -0.50289728       4.32318246
Cr      -0.16646000       3.58936000      22.92671000       0.91071415      -2.51379508       2.33537621
Cr      -0.03615000       1.87272000      20.59333000       0.85854452      -0.78019218      -0.36742881
Cr       1.35710000       4.51125000      20.77259000       0.84177249      -1.35801360      -3.09758646
Cr      -1.60028000       4.35165000      20.53058000       1.43048962      -0.19048316      -0.61003813
Cr       2.75765000       3.33017000       1.67772000      -1.62616743       3.95228694       2.17850282
Cr       1.31269000       0.83463000       1.63888000       1.85497584       0.74707472       1.70543517
Cr       4.24425000       0.94697000       1.72238000       2.35553657      -1.99952677       0.32370325
Cr       0.12716000       5.04683000      10.91576000      -0.87359586      -1.71193489       1.74139204
Cr      -1.44376000       2.50485000      11.04704000       1.47323493       0.47412750      -2.40610853
Cr       1.53765000       2.44907000      11.06258000       0.17478447       0.55046026       0.55438256
O        1.27014000       0.86211000      19.24387000       0.00525513       0.25623431       1.79085808
O        4.47687000       1.01273000      19.43007000       0.02181558      -0.53000167       0.26355790
O        2.88024000       3.68647000      19.38432000      -0.50362191       1.39211995       0.57469396
O        4.04946000       2.63291000       0.64310000       2.12720777      -2.21799869      -2.97842894
O        1.43841000       2.42570000       0.37341000       2.19259255      -1.07820879       0.93551060
O        2.84703000       0.07730000       0.60668000       0.01141553       0.41471272      -0.93846971
O        1.46565000       4.05766000       9.85462000       0.67983331       0.63989965      -0.07002320
O       -1.21542000       4.02133000       9.69072000       1.19807888      -0.32204163       1.74487355
O        0.23377000       1.76164000       9.92415000      -2.29822103      -0.86172212      -1.23250466
O        1.67740000       0.82884000      12.19092000       0.21664185      -0.41644200      -0.35181075
O        4.37889000       0.97710000      12.17964000       2.16160926      -2.80156090      -2.02617200
O        3.02017000       3.22190000      12.08032000       0.00528831       1.11204158       0.63885530
O       -1.40304000       2.64037000      21.74389000      -1.09082052       1.23079283      -0.27192372
O        1.29312000       2.77635000      21.83569000       0.16810334       0.34579286      -0.50207336
O       -0.13203000       5.09429000      21.78214000      -0.75830836       1.52050177       0.16504125
O        1.42305000       4.42672000       2.92271000       0.83231218      -0.20343925      -0.59024371
O       -1.63571000       4.39731000       2.91027000       0.60976872      -0.99791109      -2.08989275
O       -0.13179000       1.66183000       2.78674000       0.48056896       0.21448996       0.06987237
O        1.50848000       0.80807000       5.16013000      -0.99809430      -0.45549953       1.08252584
O        4.58126000       0.81173000       5.27000000       1.38700695      -0.91056843       0.29635421
O        3.02147000       3.61829000       5.05709000      -0.10696320      -1.43687527       1.73496651
O        4.33092000       2.40388000      14.59019000       1.26337458       1.20673384       0.10278254
O        1.79951000       2.35820000      14.54555000      -0.54271447       1.77087259       0.15653183
O        0.15692000       5.07797000      14.66834000      -0.04716568       2.90723706       0.31761876
O        1.29784000       4.02939000      24.24572000      -0.57713415       1.35394673       0.12266675
O       -1.39950000       4.16593000      24.39423000      -0.93210609       0.96326855      -1.11646023
O       -0.14524000       1.81683000      24.08687000      -0.44198589      -0.01239586       0.33120665
O       -0.02296000       0.12909000      21.53376000       0.23056695       0.33452818       1.83009649
O        2.94497000       1.78470000       2.75201000      -2.10453104      -0.58496484      -0.48202767
O        0.03136000       3.21862000      12.09607000       0.31172703       1.31772219      -0.50728581
O        2.92743000       5.08087000       7.33175000       0.38425597      -0.24869445      -0.82021631
O        3.05060000       1.88632000      16.91192000       0.27595566      -1.42107361      -1.63190738
O       -0.09125000       3.37731000      26.52592000      -0.25695010      -2.06226261       0.61436961
O        2.94696000       5.09761000       0.68763000      -2.49749047      -0.74897407      -1.55570000
O        2.87762000       1.53785000       9.95135000       1.58362328       1.13040963      -1.00155691
O        0.09125000       3.53538000      19.62543000      -1.38465223       0.57108615      -1.01380483
O        0.01253000       1.65551000      16.75451000       1.33378003       0.57910657       1.34200278
O        1.64766000       4.36840000      16.88958000       0.60931747       0.04931005      -0.38144540
O       -1.45958000       4.42014000      16.72731000      -0.89142859      -0.47588559       1.98235294
O        2.75575000       3.00744000      26.43065000       0.62445120       1.32334549       1.26863695
O        1.53106000       0.83855000      26.52853000      -0.40396097      -0.81273194       0.83696700
O        4.35961000       0.92230000      26.56230000      -0.86423396      -1.00802005       0.62144962
O        0.10233000       4.86642000       7.32957000      -0.65980804       0.23973705       1.13730376
O       -1.24513000       2.62508000       7.40861000      -0.73808072      -1.02229579       0.36970308
O        1.46051000       2.55611000       7.20901000       0.50847637       0.19322762       1.13778310
Zn       2.89542000       4.81076000      27.35302000       0.00854027       0.59551889      -0.64798159
Zn       2.99431000       1.63546000       7.95676000       0.50353694      -0.19003635       0.44826272
Zn       0.07322000       3.52879000      17.59827000      -0.59712700      -0.33048270       0.12073586
Zn       2.81771000       4.98007000      23.50357000       0.46223102       0.76266570       0.62258278
Zn       3.16432000       1.64279000       4.61386000      -2.02527366       1.63796728      -0.37314459
Zn       0.14869000       3.36174000      14.05224000      -0.21468552      -1.24711533      -0.43589578
Zn       0.05964000       0.18293000      13.30989000       0.49285382      -0.45297854      -0.28408221
Zn       2.90173000       1.94623000      22.86799000      -0.29347208      -0.58267227      -0.13003039
Zn      -0.07500000       3.49257000       3.95603000       0.18794091      -0.21811487      -0.78245780
Zn      -2.68808000       5.01753000       9.23510000      -1.57446860       0.55567792       0.36834821
Zn       2.80130000       1.92318000      18.75928000       0.36956229      -0.65686382       0.93229850
Zn      -0.10967000       3.26983000       0.01928000      -1.49664519       1.19472731      -0.70757672
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.38928028 magmom=71.998284 free_energy=-551.38928028 stress="-0.0454009425525628 0.003948834690173504 0.0011389919727381908 0.003948834690173504 -0.04586445943975168 0.006273317716358479 0.0011389919727381908 0.006273317716358479 -0.0436205582285326" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.78643000       0.92139000      15.79644000      -2.76308729      -1.96500102      -0.32047666
Cr       4.63104000       0.85159000      15.64690000       0.84852313       0.35422147      -0.21551289
Cr       3.13488000       3.34469000      15.77867000      -2.36177271       1.93116260      -1.28967102
Cr       4.36693000       2.47237000      25.42327000      -0.63023061       0.18245901      -0.79318540
Cr       1.32902000       2.39957000      25.33714000       0.56361654      -0.04098005       0.57150369
Cr      -0.03105000       5.01884000      25.59129000      -0.34977783      -0.39007680      -1.49468138
Cr       1.48789000       4.15517000       6.09105000      -1.47616303      -0.17901003       2.44690036
Cr      -1.57435000       4.22679000       6.28957000       4.28650876      -1.28234859       2.57229369
Cr       0.03533000       1.64181000       6.28628000      -1.96434077       1.83928719       1.37649296
Cr      -0.07767000       0.19251000      18.07113000       1.39676936      -1.55877949       1.53342530
Cr       2.88304000       1.50696000      27.78268000       0.22047203       2.14465876       1.23340325
Cr       0.20231000       3.25339000       8.67126000      -0.77814187       0.75816109       0.74204354
Cr       0.02567000       0.05660000       3.97206000      -0.04494727      -1.72079369       0.18600962
Cr       3.07868000       1.70569000      13.30446000      -0.22974566      -0.20720528      -1.52293214
Cr      -0.00550000       3.58505000      22.93813000      -2.60031672      -1.20726494       1.51261448
Cr      -0.03572000       1.79976000      20.61207000       0.41714311       1.19959452       0.15406143
Cr       1.41518000       4.51658000      20.70562000       0.20980563      -1.01774942      -1.79276822
Cr      -1.50145000       4.40817000      20.49249000      -0.49296313      -0.81699705       2.83955043
Cr       2.86593000       3.38794000       1.74263000      -0.20336717       0.20409701      -2.00471740
Cr       1.32386000       0.88500000       1.66948000       1.43448568       0.12718872      -1.64660853
Cr       4.32892000       0.86422000       1.75700000      -0.62938809       0.80467245      -2.43606338
Cr      -0.00588000       5.00923000      10.96398000       1.40841617       0.50992177       0.90001770
Cr      -1.41556000       2.49122000      11.00869000      -0.56968144      -0.91523128       1.56148382
Cr       1.53311000       2.41225000      11.11663000       0.09073588       2.54896658      -0.93285936
O        1.29129000       0.82303000      19.39612000       0.40532408       1.98426895      -0.62252128
O        4.62445000       1.06628000      19.31569000      -1.75791454      -0.70479780       0.84006013
O        2.85233000       3.87810000      19.50874000      -0.86267501      -2.24387719      -1.37065464
O        4.18719000       2.34951000       0.35104000      -0.61874246       0.48233516       2.12852413
O        1.61870000       2.43224000       0.39461000      -1.31517187       0.70200296       0.90215580
O        2.84183000       0.19072000       0.56985000       0.02811667      -1.82279311      -0.02180291
O        1.43891000       4.12173000      10.06024000       0.58451330      -0.92683125      -2.46396526
O       -1.26754000       3.97231000       9.84465000       0.02657678       1.67424094      -1.43748370
O       -0.03748000       1.69712000      10.01972000       2.51127654       0.26258272      -2.03094177
O        1.62616000       0.81258000      12.11445000       0.47754915      -0.09999149       1.16921355
O        4.43710000       0.72365000      12.04732000      -1.03520796       1.63097916       1.01492145
O        3.10864000       3.18394000      12.15006000      -1.23322374       0.96775659      -0.12982162
O       -1.38517000       2.69908000      21.76762000      -0.08209325       0.65304576      -0.43684198
O        1.32504000       2.72651000      21.80112000       0.00070609       0.88546689      -0.93860079
O        2.87991000       0.08788000      21.74722000       0.15627120      -0.28011458       0.32274089
O        1.49279000       4.49091000       2.85771000       0.31751913      -2.55484497       1.08217667
O       -1.58493000       4.39954000       2.76415000      -0.15355845      -1.28950018       0.73800714
O       -0.03599000       1.55558000       2.91033000      -0.63206121       2.24973331      -0.89262921
O        1.27183000       0.76144000       5.32639000       3.24879492      -0.60659141      -2.87156511
O        4.62511000       0.72020000       5.24033000      -1.87112248       1.11012650      -1.11654799
O        3.07561000       3.46455000       5.15594000      -1.21516595       0.34811198      -1.16931110
O        4.32798000       2.46271000      14.59125000       1.84635817       1.14246816      -0.22705225
O        1.63738000       2.35833000      14.58233000       2.72900398       0.68787125       0.50453182
O        3.17828000       0.35409000      14.52503000      -0.83280186      -4.43163931       1.69511616
O        1.25749000       4.12772000      24.27118000       0.53690631       0.23443149       0.74916563
O       -1.38998000       4.26775000      24.37390000      -0.13713473      -0.56942742      -0.82252701
O       -0.24613000       1.83920000      24.22365000       1.98862544      -0.56609467      -1.11735569
O        0.04272000       0.05946000      21.67416000      -0.64525752       1.02824159      -1.38690281
O        2.81844000       1.71768000       2.72584000       0.14409104      -0.10617966       0.32532701
O        0.05429000       3.43832000      12.07735000      -0.08411363      -1.66668529       1.00205544
O        2.87951000       5.02591000       7.21581000       0.04922138       0.00021955       1.69133890
O        3.10910000       1.79664000      16.85572000       0.53653924      -0.75229106       1.06207531
O       -0.17496000       3.28131000      26.55481000       1.22462263       0.32346712      -0.82878385
O        2.77723000       5.01971000       0.63319000       0.64182017       0.60291406       0.48415814
O        3.05320000       1.64946000       9.97935000      -1.31248149      -0.34342381      -1.15738508
O       -0.19469000       3.55256000      19.47393000       2.45626049      -0.58458759       0.49550038
O        0.19787000       1.52886000      16.79586000      -0.12922533       2.06181726      -0.24840799
O        1.69251000       4.41845000      16.81206000      -0.53094349      -1.15295468       0.13282769
O       -1.56605000       4.32721000      16.80377000       0.39645735       1.23536670       0.84159723
O        2.90053000       3.15064000      26.35663000      -1.61417839      -0.91126310       1.36324632
O        1.51752000       0.76611000      26.67396000      -0.35139977       0.16433710      -1.21844944
O        4.33460000       0.82646000      26.62872000      -0.52981503      -0.25098035      -0.55253577
O        0.11102000       4.83111000       7.48181000      -0.50811430       0.22047734      -1.46038898
O       -1.21088000       2.56033000       7.43953000      -1.08979493       0.27402076      -0.38696931
O        1.48165000       2.53656000       7.15905000      -0.86016382       0.64459657       1.23442153
Zn       2.88256000       4.76970000      27.31039000      -0.03118821       1.14562667       0.06668729
Zn       2.92379000       1.67616000       7.90370000       1.95311553      -0.95946308       1.66195828
Zn      -0.01943000       3.67225000      17.58579000       1.33814544      -1.18467101      -0.20499583
Zn       2.84102000       4.96976000      23.48329000       0.48865923       0.63321246       2.33425691
Zn       2.98801000       1.65721000       4.64963000      -0.29574739      -0.99639338      -0.20898199
Zn       0.18130000       3.25601000      14.13539000      -2.15379545       2.35856979      -1.74266691
Zn       0.06784000       0.29972000      13.17068000      -0.08682891      -1.46256559       0.33009848
Zn       2.84662000       1.96437000      22.87196000       0.52985043      -0.71484091      -0.00097567
Zn      -0.09246000       3.51810000       4.06270000       0.12550761      -0.22049895      -1.51540768
Zn       0.19022000       0.00668000       9.19144000      -0.88952984      -1.20433741       0.90570649
Zn       2.82853000       1.89429000      18.88983000       0.63078141       0.58634858      -0.03266151
Zn      -0.19127000       3.24912000      28.49075000       1.70428463       1.01004830       0.35694246
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.60097036 magmom=71.9998671 free_energy=-551.60097036 stress="-0.05350549493550568 -0.0037315721952144968 0.0025030911311123287 -0.0037315721952144968 -0.02826045917920812 -0.008492691962516497 0.0025030911311123287 -0.008492691962516497 -0.03531268987170082" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.74963000       0.76911000      15.80929000      -0.56090139       2.27101701      -0.41781624
Cr       4.72267000       0.84549000      15.62304000      -0.55865769       1.06964157       0.48519821
Cr       3.09171000       3.39368000      15.73023000       1.18614140       0.66994899       2.00506882
Cr       4.40927000       2.41664000      25.46531000      -1.02405220       0.21684587      -1.95462396
Cr       1.39729000       2.40891000      25.47337000      -0.33431906      -0.01644722      -2.13820108
Cr       2.90442000       0.00400000      25.51729000      -1.79065526      -2.11959455      -2.22407152
Cr       1.46477000       4.10538000       6.15412000      -1.32695732       1.82228373       1.25593891
Cr      -1.49337000       4.18809000       6.38121000      -0.15297442      -0.49706887      -1.14059414
Cr      -0.04697000       1.67400000       6.30372000       0.10814198      -1.27937636      -1.19218945
Cr       0.04672000       0.12449000      18.05008000      -2.04838314       1.80117674       2.86779638
Cr       2.87878000       1.54952000      27.74070000      -0.74660617      -0.29905909       3.92981194
Cr       0.12389000       3.33871000       8.75898000      -1.25514685       0.33935879      -3.15459526
Cr       2.89301000       5.09184000       3.91142000       2.04434012       0.40968348       0.84438489
Cr       2.98511000       1.68069000      13.34593000       2.99298337      -0.06388736       0.78253638
Cr       0.02477000       3.49728000      23.04499000      -0.63046159       0.68252117      -1.78713903
Cr      -0.01796000       1.79885000      20.62157000      -0.96445147       2.62346704      -1.08099514
Cr       1.48246000       4.45749000      20.51909000      -2.04920077       0.30152265       0.54432084
Cr      -1.41788000       4.43400000      20.58118000      -1.12823587       0.71280428       0.05267528
Cr       2.95286000       3.45697000       1.70164000      -0.43555344      -3.74384710      -1.35058818
Cr       1.42147000       0.93813000       1.61561000      -1.38034581      -1.80937057       0.11223501
Cr       4.37796000       0.78711000       1.67578000      -2.07925494      -0.14500811       1.27391811
Cr      -0.04858000       4.97832000      11.07434000       2.11563002       0.99152044      -1.30494148
Cr       4.48903000       2.43647000      11.01475000      -0.84755031       0.81104979      -0.08670387
Cr       1.54127000       2.52358000      11.11977000       0.57306776       0.01101049      -1.78621973
O        1.34482000       1.02508000      19.52834000      -0.73258250      -1.94274900      -1.29456431
O        4.54343000       0.94340000      19.34525000       0.60014194      -0.18575541      -0.02788909
O        2.76836000       3.71868000      19.37520000       2.12378576       0.80328224      -0.73581308
O        4.22658000       2.14770000       0.38377000       0.56200510       2.79150206      -0.54933187
O        1.66962000       2.51130000       0.56712000      -1.54879087       0.07586866      -2.48723138
O        2.83895000       0.03301000       0.46885000      -0.09568702       0.04450911      -0.44957392
O        1.44801000       4.03279000       9.87575000       0.37352422       1.39595258       1.00284753
O       -1.22681000       4.10968000       9.87758000      -1.81455673       0.05207510       0.11375982
O        0.04888000       1.78414000       9.82456000       0.47085726      -0.10320338       1.84954852
O        1.71495000       0.85607000      12.20220000      -1.37037272       0.26255687      -0.18632869
O        4.30336000       0.76268000      12.03989000       0.79866077       1.05102145       1.15807092
O        2.98411000       3.24688000      12.18597000       0.60692005      -0.01732341      -0.25196651
O       -1.33761000       2.91113000      21.70556000      -0.54972188      -1.74881366       1.25967699
O        1.29799000       2.88284000      21.60520000       1.05198494      -1.30726724       2.19512198
O        2.95824000       0.08562000      21.76578000       0.05172004      -0.16904951       0.53869592
O        1.66449000       4.19578000       2.87015000      -2.37387543       0.77089491      -0.44300801
O       -1.57603000       4.23628000       2.69189000       0.88915819       1.42462867       1.62492015
O       -0.03573000       1.67685000       2.85955000      -0.42915414      -1.06349364      -0.63403076
O        1.39618000       0.59969000       5.13555000      -2.26510003      -0.12155217       1.56675612
O        4.45321000       0.73811000       5.08088000       0.92373200      -0.29281679       1.23799873
O        2.94867000       3.44948000       5.18122000       0.74327278       0.47783695      -0.26277952
O       -1.41760000       2.65903000      14.61707000      -2.38161071      -2.56869645       0.31146527
O        1.93875000       2.53137000      14.65923000      -3.25685608      -1.51152496      -1.25947561
O        3.14357000       0.10864000      14.63563000       0.50678517      -0.16803970      -0.71295461
O        1.24608000       4.23218000      24.42661000       1.70339056      -0.74416403      -0.90136289
O       -1.35305000       4.23416000      24.20900000      -0.36790081      -0.72615517       1.39875954
O       -0.01999000       1.82762000      24.23752000      -0.45678921      -0.35533240      -0.25611019
O       -0.02700000       0.17437000      21.57051000       0.25264292      -1.15653608       1.47840216
O        2.74925000       1.65037000       2.66364000       2.57889640       0.58031510       0.86190261
O        0.07026000       3.36390000      12.13797000      -0.33918278      -1.01565459      -0.14302064
O        2.87832000       4.98940000       7.30092000       0.06579679       0.64997936      -0.60312258
O        3.23877000       1.56451000      16.80880000      -0.10100086       0.93090423      -0.06702653
O       -0.05028000       3.22163000      26.38739000      -0.37393302       1.30993773       1.68229250
O        2.71496000       5.03400000       0.64105000       2.37425973       0.39771119      -1.58609784
O        3.04013000       1.74450000       9.87699000      -0.74813032      -1.03370176       1.26285259
O       -0.10342000       3.50757000      19.48248000       0.81924141       0.58016948       0.14398575
O        0.41267000       1.76148000      16.84634000      -1.89071512      -1.23667425      -0.23610739
O        1.68227000       4.30312000      16.71539000       0.44153553       1.10744332       0.79824681
O       -1.67324000       4.41694000      16.97183000       1.63343194      -1.06837950      -1.26899446
O        2.78996000       3.08542000      26.52153000       1.86054108      -0.12597190       0.24268430
O        1.42742000       0.73557000      26.58838000       0.46818131       0.73283013      -0.16639279
O        4.23423000       0.70908000      26.58831000       0.96860151       1.54280276       0.23521595
O        0.00988000       4.78812000       7.39243000       0.37915779       1.58031323       0.27035506
O       -1.33712000       2.54771000       7.40501000       0.15947714       0.15955587       0.56946795
O        1.30472000       2.63551000       7.36396000       0.86124346      -1.74212932       0.00024973
Zn       2.86607000       4.80199000      27.27414000      -0.28075188       1.17123649       0.95259889
Zn       2.94101000       1.66982000       7.92394000      -0.16709870      -0.68005287       0.41701732
Zn      -0.04614000       3.75757000      17.56722000       1.84134487      -1.62020206       0.32193113
Zn       2.89182000       4.99841000      23.56956000      -0.21276155       0.54408535      -0.21863628
Zn       2.77776000       1.63301000       4.67099000       1.56554699       0.84227171      -1.57662665
Zn       0.15437000       3.25920000      14.14330000       2.75292355       1.52765056      -0.89300709
Zn       0.06800000       0.34630000      13.05058000      -0.63602836      -1.59044891       1.01075254
Zn       2.81238000       1.94455000      22.87903000       0.37663480      -0.52954920      -0.91536646
Zn      -0.10277000       3.52925000       4.10482000      -0.09395139      -0.75912535      -1.98996942
Zn       0.05385000       0.05124000       9.18000000      -0.05192259      -1.69101891       0.84243714
Zn       2.89768000       1.89282000      19.03271000       1.05507079      -0.30817606      -1.14165653
Zn      -0.20820000       3.28312000      28.35772000       0.97141095       0.01602973       1.37522548
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.66714078 magmom=72.0026529 free_energy=-551.66732324 stress="-0.032730495445511876 -0.0009530785683525561 0.002849990956502666 -0.0009530785683525561 -0.03159117427061635 0.0010031183385995892 0.002849990956502666 0.0010031183385995892 -0.03390405281464959" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.66083000       0.74018000      15.82027000       1.83182125       2.74550939      -1.65163321
Cr       4.79815000       0.88268000      15.68173000      -2.08180370      -0.29175405      -0.28529525
Cr       3.07792000       3.47648000      15.78636000       0.20548435      -2.99242051      -0.95741356
Cr       4.37874000       2.37207000      25.43628000       1.43740363       1.45389642      -1.14587199
Cr       1.47234000       2.41775000      25.52993000      -0.38055446       2.53847486      -2.46021272
Cr       2.81846000       0.02705000      25.39055000       1.75737886      -1.93854609      -0.37860711
Cr       1.36580000       4.13982000       6.30184000       1.84148539       0.58559988      -0.70740775
Cr      -1.40812000       4.11398000       6.40986000      -3.66651483       1.60168785      -2.81785473
Cr      -0.13579000       1.65423000       6.27723000       1.13855364      -1.43803439      -0.25231565
Cr       0.07640000       0.15200000      18.13556000      -0.45854423       1.39494114      -2.11508999
Cr       2.83265000       1.54532000      27.82886000       0.67850028      -0.05708219       0.56066863
Cr      -0.02650000       3.44795000       8.70352000       0.09867360      -0.88104324       0.52089537
Cr       2.89651000       5.02344000       3.88177000      -1.08880547       0.03317601       0.16610871
Cr       3.04001000       1.67839000      13.41440000      -0.49798361       0.14279075       1.12433672
Cr       0.01157000       3.44135000      23.06109000       1.81406821       0.68459964      -0.68306859
Cr      -0.03653000       1.92231000      20.58349000       0.26741431      -1.71754682       0.55135839
Cr       1.47845000       4.39076000      20.38477000       2.51452352      -0.07602288       4.28909222
Cr      -1.40710000       4.48862000      20.69550000      -1.14666900      -0.04281833      -1.05219742
Cr       3.00470000       3.34538000       1.58384000      -0.10637771       0.55255737       0.55935780
Cr       1.48237000       0.91554000       1.54598000      -1.36670354      -0.95254080       1.62701333
Cr       4.33093000       0.71432000       1.60740000       1.85585902      -0.70231493      -0.37351727
Cr       0.01732000       5.01464000      11.13184000      -1.01508897       0.60567150      -0.56423265
Cr       4.43157000       2.43112000      11.02959000       0.58760131       2.34693263      -0.81407626
Cr       1.58206000       2.64806000      11.02942000      -0.47638351      -2.42400955       0.66829985
O        1.26968000       0.93967000      19.43697000       1.56903391       0.54232437       0.67755635
O        4.55011000       0.82240000      19.36401000       0.47807753       1.87860233      -0.37306916
O        3.01525000       3.73046000      19.15214000      -0.20920320      -0.94159898       3.01158152
O        4.27903000       2.35939000       0.43881000      -1.12730360      -0.81464078      -0.48425492
O        1.49373000       2.56678000       0.39870000       1.62409936      -1.31110117       0.02100645
O       -0.11594000       5.06933000       0.35838000       0.31405264       1.79519761       0.97136759
O        1.42739000       4.13200000       9.80289000      -1.44440611       1.02411942       0.86529135
O       -1.38842000       4.26430000       9.90789000       0.76358275      -1.13825941       0.29224233
O        0.22420000       1.90758000       9.88800000      -2.61766942      -1.02596891      -0.59514488
O        1.67887000       0.95564000      12.22625000      -0.06856245      -0.62231339      -0.77703237
O        4.26804000       0.98257000      12.20356000       1.57574047      -2.65656514      -0.88742937
O        2.95879000       3.25196000      12.16639000       1.26074421       0.81181435       0.61509440
O       -1.33149000       2.86547000      21.80298000      -0.80685886      -0.94310814      -0.37666767
O        1.38552000       2.84728000      21.71467000       0.16494627      -1.06010732       0.11764679
O        0.06867000       5.08130000      21.83091000      -0.32865657       0.69432415      -0.04809889
O        1.57831000       4.04909000       2.78170000      -0.33216930       1.43182114      -0.46513158
O       -1.54238000       4.29790000       2.84948000      -0.02607599       0.03543598      -1.30188857
O       -0.10922000       1.53131000       2.65657000       0.69904032      -0.47441529       0.66626727
O        1.21268000       0.47358000       5.17931000       1.35381793       2.82208037       0.57409844
O        4.44559000       0.70523000       5.14446000      -0.66553378       0.07713549       0.11343757
O        2.88560000       3.54957000       5.19202000       0.02906282      -2.21794547       0.43333606
O        4.31234000       2.42561000      14.65898000       2.16698198       1.46239623      -1.04361184
O        1.84521000       2.43343000      14.61990000      -1.41393914       0.04474120       1.26643048
O        0.21884000       5.00083000      14.75968000      -0.27545337       2.87378604      -0.44781685
O        1.43743000       4.18863000      24.45698000      -0.95074274      -0.42293122      -0.65704976
O       -1.33864000       4.03953000      24.28819000      -1.18143753       0.58594254       0.19321364
O        0.16151000       1.81664000      24.20162000      -1.26060862      -0.13936683       0.35802777
O       -0.06707000       0.15826000      21.56352000       0.69390031      -0.02594555       0.69152992
O        3.04954000       1.65871000       2.63399000      -1.75635378       0.05237939       0.16419317
O        0.02708000       3.11576000      12.11377000      -0.12558031       2.28090149      -0.04287754
O        2.89261000       5.06256000       7.26689000      -0.18895616      -0.40477674       0.50035393
O        3.31183000       1.50594000      16.71286000      -1.68658249       1.47017628       1.58319585
O        0.01161000       3.37024000      26.39241000      -0.98163116      -0.28425289      -0.00837068
O        0.07637000       0.00643000       0.53717000      -0.97315310      -0.76704913       0.45131950
O        2.90470000       1.64444000      10.00870000       1.40146303      -0.54318606      -0.71051894
O        0.12040000       3.55211000      19.54135000      -2.81934104      -0.29069679      -1.57916680
O        0.28346000       1.77385000      16.82439000      -0.54457024      -0.86723225       0.53493451
O        1.75588000       4.38934000      16.76866000       0.06100466       0.32697882       1.85637020
O       -1.56754000       4.38040000      16.93996000      -0.40766026      -0.10701569       0.70275324
O        2.97166000       3.01651000      26.64692000      -0.13513172       1.52045074      -0.68622427
O        1.39470000       0.80342000      26.44469000       0.70287298      -0.77166753       1.56990415
O        4.25895000       0.82592000      26.52798000      -0.67488982      -0.64411652       0.72441946
O       -0.01774000       4.97494000       7.33905000       0.13535754      -0.71283014       1.01306193
O       -1.38295000       2.56649000       7.44028000       0.26454364      -0.47056137       1.01975674
O        1.20747000       2.50575000       7.50718000       0.77285678       0.45366793      -1.48976120
Zn       2.83690000       4.90290000      27.27559000      -0.10738437       0.05371226      -0.47463820
Zn       2.95756000       1.62824000       7.98293000      -1.08593015       0.70669129       1.27627657
Zn       0.03358000       3.75454000      17.56195000       1.82395878      -1.43712159      -0.15189099
Zn       2.93817000       5.05401000      23.66322000       0.17260214       0.12146130      -0.96411338
Zn       2.63077000       1.63363000       4.62136000       1.23878591       0.46259555      -0.48898995
Zn       0.20909000       3.31773000      14.09634000      -0.71580931      -1.41930605      -0.65157023
Zn       0.03625000       0.30697000      12.99001000       0.26300124      -1.26402688       1.13222311
Zn       2.79862000       1.89529000      22.85629000       0.44849763      -0.46953591      -0.36296477
Zn      -0.11478000       3.50258000       4.05838000       0.21807670      -0.55389183      -1.45053656
Zn       5.81771000       0.01919000       9.21170000       1.44406181       1.01763012       0.30166331
Zn       3.01399000       1.86582000      19.12088000      -0.82620790      -0.44488078      -1.65158346
Zn      -0.16874000       3.31602000      28.28343000       0.35430084      -0.47165429       0.66351234
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.61494139 magmom=72.0012283 free_energy=-551.61499232 stress="-0.043509830685952794 0.0022826811179992475 0.002946668219164667 0.0022826811179992475 -0.04307322710497512 0.002289613081589163 0.002946668219164667 0.002289613081589163 -0.04308443734844442" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64874000       0.85315000      15.80760000      -0.54585220      -2.15600933       1.75860699
Cr       4.73398000       0.89567000      15.77786000      -2.88787931      -0.33977488      -1.56108089
Cr       3.09113000       3.42762000      15.85126000      -0.13267414      -0.51601785      -0.93934717
Cr       4.40588000       2.39492000      25.37147000       0.25490049       0.08628968       0.79949928
Cr       1.53201000       2.51927000      25.48403000      -0.11756131      -0.11279616       0.02783405
Cr      -0.13182000       5.06969000      25.29579000       1.20242547       0.53801681       1.32060397
Cr       1.35799000       4.20337000       6.40186000       1.11120144      -1.42813779      -1.55545935
Cr      -1.52511000       4.11949000       6.28255000      -0.54365313       0.42485751       0.53333690
Cr      -0.16666000       1.57993000       6.25433000      -0.11849409       1.99275092       1.83621150
Cr       0.06862000       0.24227000      18.13140000       3.42887784      -1.18885922       2.20593497
Cr       2.80533000       1.54275000      27.93728000       2.85871774       0.77462922      -6.70113787
Cr      -0.15750000       3.49457000       8.66444000       2.02238009      -1.66257620       2.58083321
Cr       2.85836000       4.96134000       3.87957000      -0.96765770      -0.10177809       1.15686834
Cr       3.08468000       1.68293000      13.51398000      -1.09564771       0.28641052      -2.71767290
Cr       0.07745000       3.42279000      23.02635000      -0.87068433      -0.38352096      -0.23403244
Cr      -0.04354000       1.95915000      20.56146000       1.11320741      -1.80997345       1.11925962
Cr       1.58689000       4.33253000      20.45581000      -0.48939657       0.44547202       2.26233910
Cr      -1.45883000       4.53678000      20.74287000       1.47903737      -2.08269308      -1.28269951
Cr       3.02384000       3.25513000       1.49571000      -1.19996921       3.10107856       1.69405363
Cr       1.48402000       0.84932000       1.52442000      -0.60453902      -0.76422966       2.11286412
Cr       4.37031000       0.63471000       1.52373000       1.65787125       1.35811842      -0.28299738
Cr       0.02082000       5.08522000      11.15368000      -1.68609198      -0.43182611       1.12821991
Cr       4.41177000       2.54420000      11.01539000       0.83107155      -0.73937534       1.35810200
Cr       1.58902000       2.63090000      10.96849000      -1.46639939      -0.97122279       1.44759591
O        1.43388000       0.90574000      19.44565000      -0.35047360       1.34381269       0.38261834
O        4.69229000       0.95410000      19.38167000      -0.23456702      -0.88642039       0.55552404
O        3.21098000       3.75742000      19.43656000      -1.95744368      -0.37163243      -0.21249746
O        4.20789000       2.42525000       0.36878000       1.79779045      -1.45157265      -0.18056382
O        1.54487000       2.42508000       0.26653000      -1.34213201       1.29988438       2.44911449
O        2.89962000       0.07704000       0.44896000      -0.12465323      -2.15698023      -0.18540276
O        1.17312000       4.34313000       9.93818000       2.44454948      -2.03511490      -2.02226456
O       -1.41059000       4.19865000      10.00104000      -0.79906708       0.63171027      -1.23959437
O       -0.02833000       1.89504000       9.92125000       0.85447824      -0.22423722      -1.14991255
O        1.65435000       0.97799000      12.12009000      -0.34894587       0.50025143       1.59822576
O        4.38356000       0.86273000      12.21007000      -1.05593987       0.75711658      -0.21109374
O        3.10392000       3.29561000      12.22108000      -1.46792596      -0.03605400       0.23588078
O       -1.36973000       2.67487000      21.83764000       0.09383674       0.83998751      -0.46241779
O        1.41707000       2.64713000      21.82245000      -0.57831182       1.08250828      -1.56168349
O        0.05385000       5.01503000      21.83400000       0.75092372       0.61039313       0.10911606
O        1.48429000       4.20922000       2.61378000       0.49565013      -1.63802826       1.18444589
O       -1.57495000       4.39628000       2.79275000       0.63763019      -1.82126158      -0.41290489
O       -0.06571000       1.23373000       2.58290000       0.00657156       2.96579595       1.49798273
O        1.15474000       0.71718000       5.29380000       0.89195638      -1.57985914      -2.08861472
O        4.38840000       0.64794000       5.24706000      -0.68187995       0.24556441      -1.48416186
O        2.84623000       3.37468000       5.27486000       0.14644252       1.21039963      -0.41198792
O        4.47685000       2.40443000      14.57701000      -0.11395962       1.50049911       1.12004283
O        1.55326000       2.26485000      14.70526000       2.22990927       2.99823803      -1.23017842
O        3.14762000       0.19617000      14.75393000       0.23713240      -2.04009663      -0.73278397
O        1.42926000       4.06118000      24.33087000      -0.29612366       1.49591873      -0.45646081
O       -1.44728000       3.98347000      24.36200000       0.39947281       1.51591204      -2.23233948
O        0.10048000       1.85283000      24.25155000      -0.28590757      -0.51202306       0.22534524
O        0.02201000       0.10727000      21.65281000      -1.22097714       0.89321684       0.49597026
O        3.06607000       1.65836000       2.56899000      -1.32068283      -0.39670384       0.85709293
O       -0.00197000       3.28352000      12.02432000       1.06470646       0.91503474       1.13297658
O        2.87313000       5.05276000       7.28343000       0.15972574      -0.66216963       1.06858701
O        3.10804000       1.72293000      16.80210000       0.27381861       0.11643030       1.11426488
O       -0.08622000       3.46250000      26.36090000       0.92066049      -1.32251045       0.38310803
O       -2.74563000       5.03229000       0.51423000      -2.27113919      -0.97189440      -0.46247649
O        2.98825000       1.52252000      10.08542000      -0.24213767       2.42246853      -2.02432171
O       -0.02712000       3.60181000      19.47445000       0.98516231       0.05198662       1.03733111
O        0.10630000       1.66051000      16.85679000       1.83321460       1.55632789       0.98576457
O        1.83217000       4.50417000      17.03756000      -1.33495621      -1.77827151      -1.79334866
O       -1.49816000       4.31824000      16.90464000       0.04798128       0.84403689       0.42290210
O        3.16407000       3.20610000      26.60816000      -2.47140713      -0.90437034      -0.03984694
O        1.51402000       0.80422000      26.50078000       0.09208708       0.74988280       0.32615023
O        4.17769000       0.87000000      26.56329000       0.24787676      -1.15135850      -0.00963409
O       -0.02712000       4.94707000       7.43418000      -1.43855595       0.13122363      -0.68587962
O       -1.34572000       2.56284000       7.55850000      -1.56576565      -0.10272947      -1.90332554
O        1.22853000       2.48604000       7.37628000       0.10111576       0.70792939       0.65519726
Zn       2.80358000       5.00798000      27.25468000       0.27449291       0.19898474      -1.05127496
Zn       2.91793000       1.62706000       8.09685000      -0.64322255       0.72056402       0.43262968
Zn       0.19786000       3.67384000      17.55492000      -0.62825083      -0.92510669      -0.11604392
Zn       0.03550000       0.00236000      23.70829000      -0.29606068      -0.20919433      -0.67947717
Zn       2.56641000       1.66495000       4.54106000       1.78021912      -0.42153413      -0.82094156
Zn       0.22479000       3.33576000      14.01533000      -1.18061412       1.37059799      -0.77836283
Zn       0.02538000       0.19804000      13.00011000       1.39893904      -1.19931992       0.88426640
Zn       2.81806000       1.81894000      22.83259000       1.25782303      -0.76580665       0.35879591
Zn      -0.11618000       3.44844000       3.94926000       0.03157954       0.04711675      -0.89173679
Zn       5.75675000       0.02541000       9.26002000       0.76406058       0.40722730       0.71023585
Zn       3.08381000       1.81386000      19.12185000      -1.02172508       0.93639069      -1.34843316
Zn      -0.11168000       3.32801000      28.25655000      -0.18017179       0.17800630       0.58866110
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.17027137 magmom=72.0000259 free_energy=-554.17027137 stress="-0.03633800887128761 -0.00672002912177309 -0.005373480637672279 -0.00672002912177309 -0.036796934385774804 -0.00014481684290471456 -0.005373480637672279 -0.00014481684290471456 -0.040299878591262994" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60830000       0.88404000      15.89580000       0.20422476       1.09468555      -1.65830345
Cr       4.55475000       0.88647000      15.85511000       0.80249096       0.94333333      -0.39765057
Cr       3.10804000       3.36753000      15.87834000      -0.02265956       2.36462291      -0.82618644
Cr       4.43089000       2.44789000      25.35774000      -1.48617796       0.26985799      -0.02106405
Cr       1.58039000       2.61461000      25.44645000      -2.20789704      -2.04366721      -2.14682708
Cr      -0.06517000       5.03017000      25.30478000      -0.39437246       0.92663772       0.11946338
Cr       1.39339000       4.20035000       6.40223000      -1.96957114       0.12224160      -1.17642207
Cr      -1.66163000       4.15140000       6.18523000       2.60202180       0.29651882       1.94857919
Cr      -0.18073000       1.60401000       6.31506000       0.03187916       0.34533510      -0.64467150
Cr       0.19912000       0.26600000      18.17792000       0.17570513      -2.13795369       2.28025529
Cr       2.87892000       1.60832000      27.83141000       0.35118096      -0.35498703      -0.02534464
Cr      -0.18187000       3.43339000       8.72543000       0.27930436      -0.29411216      -3.13042921
Cr       2.77192000       4.91033000       3.91718000       0.62487193       1.21362676      -0.41528692
Cr       3.06348000       1.71958000      13.46285000       0.49190356       0.97938679       0.18610939
Cr       0.09052000       3.38639000      22.96263000      -1.94695539      -0.12613876      -0.38222609
Cr       0.01054000       1.88794000      20.59691000       0.20797547      -0.20482421       0.41898876
Cr       1.66671000       4.32175000      20.66023000      -3.47519580       1.19198998       0.47490298
Cr      -1.43239000       4.48492000      20.72803000       1.34056812      -0.91741452       0.23707623
Cr       2.98090000       3.27862000       1.47825000      -0.28402121      -1.67247938       1.92872178
Cr       1.46894000       0.74976000       1.55131000      -1.04524432      -0.78319098       0.67826495
Cr       4.49362000       0.63898000       1.43448000      -1.59620609       0.98852440       2.59190307
Cr       2.89520000       0.04466000      11.17308000       0.42491945       0.73112028      -3.12537657
Cr      -1.46052000       2.62992000      11.07443000      -0.16882109      -0.93195565       0.76623514
Cr       1.51292000       2.55603000      10.99558000      -0.63708273       1.52114400       0.27706390
O        1.49281000       1.03393000      19.57683000      -1.07251320      -1.09419175      -0.77050936
O        4.77951000       0.91195000      19.45487000      -1.43342643      -0.84708574      -0.94029527
O        3.07873000       3.66474000      19.69778000       0.79762950      -0.02908291      -2.86043757
O        4.38464000       2.23377000       0.29852000      -0.85694348       0.67692654       0.32381360
O        1.49165000       2.43717000       0.48626000       0.90606117      -0.93255617      -1.33842398
O       -0.00541000       5.00017000       0.48498000      -0.39692618       2.35641823      -0.94286493
O        1.19465000       4.19769000       9.86574000       0.53157350       0.04822230       0.74804698
O       -1.47707000       4.19152000       9.93977000      -0.04523891       1.19237755       0.83173016
O       -0.16079000       1.88325000       9.81836000       1.56239885      -0.32859623       1.79745511
O        1.63120000       1.07355000      12.25863000      -0.61945326      -0.87389675       0.16960522
O        4.30613000       0.86987000      12.15476000       1.21014900       0.90291930       0.58693073
O        3.01793000       3.27914000      12.27560000      -0.39767071       0.53996579      -0.79380220
O       -1.33441000       2.67178000      21.74883000      -0.67108646       0.63009133       0.61494164
O        1.33371000       2.67709000      21.68938000       2.18824110       0.03532747       1.46256846
O        0.11634000       5.00672000      21.82330000      -0.03493255       0.80753570       0.44016912
O        1.54935000       4.18659000       2.63097000      -0.25165371      -0.80429386       0.16022724
O       -1.61063000       4.20164000       2.63618000      -0.10050397      -0.24727590       0.97694104
O       -0.00899000       1.36379000       2.75950000      -0.48123010       0.50944646      -0.83360227
O        1.14120000       0.71247000       5.13038000      -0.53261777      -0.61854562       0.46878860
O        4.28998000       0.62344000       5.14150000       0.90482645       0.41782956       0.25560187
O        2.81334000       3.41231000       5.28633000      -1.31623603      -0.40169589      -1.68895257
O       -1.37597000       2.59542000      14.71822000      -1.06552537      -1.23220201      -0.12766105
O        1.75265000       2.49918000      14.68451000      -0.15368317       0.15339193       0.39256104
O        3.12941000       0.21802000      14.65585000      -0.34179191      -0.92153706       1.02009448
O        1.32464000       4.15123000      24.18788000       1.36748094       0.69360585       1.13058464
O       -1.39162000       4.12271000      24.12700000       0.75442790      -0.75120657       1.17832023
O       -0.00044000       1.85450000      24.34413000       1.08533154      -0.43545164      -0.97914495
O       -0.00258000       0.17819000      21.73407000       0.75672301       0.09503181       0.14608332
O        2.83397000       1.60428000       2.55481000       1.57822328      -0.01999300      -0.47322470
O        0.11875000       3.57110000      12.08031000      -0.76797173      -2.58258664      -0.35202950
O        2.85227000       4.95234000       7.42550000       0.02301504       0.99532828      -0.93399604
O        2.91867000       1.92445000      17.03773000       0.96549031      -2.17518985      -0.29709101
O       -0.02773000       3.33660000      26.30291000       0.13014781       0.38217476       1.33981618
O        2.89600000       4.83648000       0.47224000       1.26607949       1.81564025      -1.29883462
O        3.03772000       1.76682000       9.99875000      -0.95797687      -0.38799187       2.05339244
O       -0.02902000       3.61662000      19.59572000       1.08136605      -0.09107387      -0.79270101
O        0.19318000       1.76894000      16.96887000      -0.79320182      -1.81181942      -0.91384921
O        1.81682000       4.38974000      16.99033000       1.03097091       1.50879985      -0.54945696
O       -1.48681000       4.39630000      16.90603000       0.60810599      -0.12796279       1.06516360
O        2.95094000       3.18842000      26.50292000       1.49842760       0.84350278       1.38836656
O        1.65472000       0.89319000      26.56590000      -2.07063329      -0.38906094      -0.92575946
O        4.11891000       0.75331000      26.54254000       1.22899922       1.00369003      -0.63265617
O       -0.24287000       4.82563000       7.39205000       0.93961686       1.76684958       0.21010882
O       -1.48405000       2.60000000       7.38391000      -0.15307785      -0.57420494       0.61064539
O        1.22727000       2.59309000       7.36514000      -0.43860735      -1.25428045       1.54684877
Zn       5.74097000       0.00368000      27.18615000       1.17166505      -0.28050114      -0.37014768
Zn       2.84107000       1.66923000       8.20421000      -0.41155476      -0.33751362      -2.95017833
Zn       0.31751000       3.54160000      17.55973000      -2.10123595       0.27534758       1.73752131
Zn       0.06114000       0.05451000      23.71010000      -0.89996029      -0.04265378      -0.79981606
Zn       2.60331000       1.68172000       4.42810000       1.09746233      -0.41376023       0.41791162
Zn       0.18686000       3.41683000      13.90839000       0.19723133       0.19693649       1.86047320
Zn       0.07371000       0.03556000      13.06229000      -0.31386962      -0.00584867       0.71394093
Zn       2.89616000       1.71032000      22.83045000       0.55034388       0.00417677      -0.40432598
Zn      -0.11382000       3.39211000       3.81052000      -0.01377906      -0.41850768      -0.56145078
Zn       5.74742000       0.05375000       9.32796000       0.19353108      -0.62745597       0.02936993
Zn       3.11043000       1.81456000      19.05274000       0.56263984       0.47097567      -0.25930550
Zn      -0.06279000       3.34250000      28.26890000       0.20230186      -0.78679052       0.15471942
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.05198193 magmom=72.0019363 free_energy=-554.05198193 stress="-0.03565497625441322 0.0025109785886097986 -0.002079798279877634 0.0025109785886097986 -0.036249701291359654 -0.006449712657047905 -0.002079798279877634 -0.006449712657047905 -0.041871755559947314" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55594000       0.91377000      15.95833000       1.54670010      -0.09548172      -3.10152778
Cr       4.44733000       0.91409000      15.92250000       1.08617845       0.45597864      -0.77366033
Cr       3.13462000       3.45917000      15.89294000       0.99870657       1.35229924       0.32269459
Cr       4.38397000       2.50870000      25.36196000       0.53638225       0.64275504      -0.78988297
Cr       1.53302000       2.58727000      25.34204000      -0.00347130      -0.38910405      -0.12039227
Cr      -0.02067000       5.05675000      25.34271000      -0.72720900       0.24145077      -0.18156404
Cr       1.31306000       4.18476000       6.34037000      -1.24333616       0.40140974      -0.43643200
Cr      -1.65859000       4.17861000       6.20096000      -0.04813262      -0.42739988       0.15559041
Cr      -0.19345000       1.65820000       6.34496000       0.10358793      -1.22614943      -1.98132037
Cr       0.33476000       0.18375000      18.29866000      -3.63080466      -2.41235608      -1.09874810
Cr       2.96021000       1.65244000      27.75933000      -1.48221544      -0.60267175      -0.05334356
Cr      -0.18232000       3.36080000       8.65984000      -0.95626704       1.36151608       0.91727770
Cr       2.71889000       4.94059000       3.91065000       1.09572516       1.09690736      -1.23350270
Cr       3.05839000       1.80722000      13.42450000      -0.22900590      -0.81066291       2.19422609
Cr       0.01821000       3.35615000      22.89812000       1.70273778       0.90995825       2.77351910
Cr       0.07234000       1.81052000      20.64183000      -0.65511917       0.90018648      -0.19460397
Cr       1.59102000       4.37674000      20.83986000       1.28095921       0.14936960      -3.34537601
Cr      -1.33909000       4.38367000      20.68897000      -1.28699151       0.84277879      -0.65013797
Cr       2.91525000       3.20914000       1.50573000      -0.05112781      -0.02098215      -0.44306414
Cr       1.42885000       0.62896000       1.58108000      -0.47653459       0.49846842      -0.91687508
Cr       4.51175000       0.70659000       1.46566000      -1.96984764      -0.67383639       1.48136629
Cr       2.85454000       0.13246000      11.06542000       1.43454826      -0.47704071       0.36577475
Cr      -1.45025000       2.65623000      11.17057000      -1.06931697       0.33237465      -1.25720218
Cr       1.40386000       2.56180000      11.06379000       1.20009596       0.60076793       1.20045226
O        1.38769000       0.95588000      19.59837000       2.64757485       0.14365705       0.19838723
O        4.65812000       0.72078000      19.42181000       0.47428428       1.39715915       0.94589641
O        3.01420000       3.66728000      19.53320000       1.07212739       0.76742385       0.49410869
O        4.43226000       2.19243000       0.30582000      -0.91207119       1.71083534      -0.12508542
O        1.52609000       2.33189000       0.50442000       0.08733575      -0.44011783      -1.66304729
O        2.90994000       0.08247000       0.34761000       0.20228755      -0.89325760      -0.20674685
O        1.29391000       4.02739000       9.83882000      -0.98468180       2.14073855      -0.40507531
O       -1.45916000       4.33208000       9.98857000       0.64059719      -0.60951741      -0.31872321
O       -0.01878000       1.89198000       9.99514000      -1.37779607      -0.66660651      -1.02189389
O        1.57241000       1.04225000      12.38441000       0.29168103      -0.77836046      -1.13986440
O        4.33565000       1.03236000      12.17056000       0.26377192      -1.38024156       0.28652920
O        2.86998000       3.30801000      12.18436000       0.83690695       0.84018784       0.45848009
O       -1.33178000       2.78338000      21.73204000      -0.60721775      -1.67231226       0.00803437
O        1.50539000       2.72411000      21.78536000      -0.23420751      -1.29196602       0.71334527
O        0.13650000       5.06318000      21.87754000      -0.85760515      -0.14771361      -0.11182856
O        1.61218000       4.03818000       2.68438000      -1.80026912       0.75291618      -0.96559930
O       -1.69732000       4.02679000       2.65176000       0.64526303       1.50893926       0.75066456
O       -0.04078000       1.51211000       2.77527000      -0.00998071      -1.61820319      -1.04064358
O        1.04471000       0.58403000       5.08677000       1.96753268       2.24372097       0.50153619
O        4.38018000       0.66480000       5.10017000      -0.93840727       0.58122175       0.68274491
O        2.64317000       3.46771000       5.10347000       0.76669624      -1.44512201       1.07596920
O        4.37025000       2.51187000      14.81885000       1.83753492       0.14177762      -1.91242898
O        1.91908000       2.76159000      14.65415000      -2.86713926      -1.39282837       0.00123027
O        3.06649000       0.14739000      14.76440000      -0.57503723       0.91165226      -0.30962617
O        1.38175000       4.30019000      24.24649000       0.19486321      -1.31968596      -0.19573358
O       -1.21537000       4.12775000      24.12755000      -2.25534338       0.31144844       0.96055994
O        0.03918000       1.86606000      24.28510000      -0.21792130       0.43622242      -0.66976393
O        0.07945000       0.23294000      21.74795000       0.58476458      -1.00489949       0.04207860
O        2.86765000       1.52271000       2.44438000       1.27538639      -0.48448051       1.23993680
O        0.07036000       3.48467000      12.01196000      -1.26722631       1.05976455       1.41462196
O        2.81068000       5.02447000       7.32828000      -0.32413440       0.23853612       0.48728510
O        2.93465000       1.77763000      17.06214000       0.76196845       0.10682276      -1.18867665
O        0.04729000       3.27452000      26.38632000      -0.68129193       1.05195390      -0.28606787
O        2.83164000       4.90374000       0.37318000       1.35795583      -0.12760157       1.13125955
O        2.93555000       1.92850000      10.17395000       0.55746010      -2.19089959      -2.42482075
O        0.16393000       3.58423000      19.66850000      -0.45156088      -0.58663498      -0.56052555
O        0.14092000       1.62985000      16.93729000      -0.80175258       0.89730075       1.13087646
O        1.90710000       4.47795000      16.85821000      -1.41804835      -1.00931495       2.81590211
O       -1.37010000       4.43296000      17.05435000       0.26485814      -0.48808313       0.11837498
O        2.93426000       3.25041000      26.55870000       0.51290111      -0.17196444      -0.60648427
O        1.52275000       0.93118000      26.45152000       0.94055061      -0.07365594      -0.09026095
O        4.21695000       0.85354000      26.38715000       0.02601729       1.00359615       0.94485838
O       -0.27903000       4.95965000       7.35946000       0.96164200      -0.48455594       0.56612632
O        4.29540000       2.56187000       7.27428000       0.35308955       0.00090867       1.74567834
O        1.10477000       2.55387000       7.54768000       0.65770569      -0.12110890      -1.38974712
Zn       5.78879000       0.08749000      27.09742000       0.84154788      -0.61522233       0.01354381
Zn       2.75310000       1.69397000       8.18881000       0.16446586      -0.23350550      -0.19954021
Zn       0.33183000       3.43463000      17.63481000      -0.05420104       0.99794128       0.23684130
Zn       0.04995000       0.09016000      23.67607000       0.43674834      -1.04906530      -0.04937986
Zn       2.69908000       1.67297000       4.33899000       0.05378420      -0.76160472       1.00823934
Zn       0.15932000       3.50536000      13.89956000       0.03502517      -0.40532307       1.76283300
Zn      -2.84116000       4.99628000      13.16480000      -0.38807166       0.93191411       0.88925456
Zn       2.99648000       1.61395000      22.82620000      -0.11907595       1.26796619       0.46486898
Zn      -0.11254000       3.32205000       3.66673000       0.13313231      -0.24126819       0.21751217
Zn       5.74684000       0.05327000       9.39302000       0.01994268      -0.34718886      -0.53080481
Zn       3.15581000       1.83846000      18.97513000      -0.28731620      -0.15503425       0.35411558
Zn      -0.00723000       3.32333000      28.29855000       0.40671206       0.11220337       0.91740707
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.99636219 magmom=72.0055153 free_energy=-553.99636219 stress="-0.027406823817011223 0.004565327189924753 0.006906239303676152 0.004565327189924753 -0.03378184915279473 0.003526518666324556 0.006906239303676152 0.003526518666324556 -0.03557714414877574" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54635000       0.92733000      15.92570000      -0.91425148       0.84317094      -0.24860080
Cr       4.44026000       0.94028000      15.94206000       2.40585552      -1.72073594      -1.58460866
Cr       3.19158000       3.63724000      15.92298000      -0.66824017      -2.04934795      -0.94205453
Cr       4.35034000       2.60446000      25.34574000       1.40642734       0.19174498      -1.09052552
Cr       1.47843000       2.51840000      25.25004000       1.12161246       1.64801262       0.92060163
Cr       2.94073000       0.00755000      25.38236000       0.95967498      -0.19534353      -1.09524671
Cr       1.16344000       4.19246000       6.24998000       1.89499894      -0.17328054      -0.41204804
Cr      -1.63772000       4.19069000       6.24856000      -1.29942056       0.22267549      -0.15672414
Cr      -0.20798000       1.65578000       6.26962000      -0.11267040       0.15079569      -0.44753868
Cr       0.30453000       0.01505000      18.35137000      -1.66988452       3.06029111      -1.73590724
Cr       2.97386000       1.68840000      27.69096000      -0.19223239      -0.15307353      -0.75576207
Cr      -0.22393000       3.37170000       8.63689000       0.44801613       0.25090710       1.69457976
Cr       2.73073000       5.02568000       3.85993000       0.49401155      -1.67073233       1.92945424
Cr       3.03254000       1.84217000      13.50400000      -1.02438971      -1.34742037      -1.00789986
Cr       0.01252000       3.39194000      22.98662000       0.64443480       1.70160369      -0.19782434
Cr       0.11172000       1.75921000      20.65050000       1.57225392       0.37656267       0.95057312
Cr       1.56968000       4.43085000      20.83335000       1.33439836      -2.28044968      -0.74905440
Cr      -1.32274000       4.31955000      20.59240000       0.89250896      -0.04180239       1.84407426
Cr       2.84704000       3.10884000       1.48530000       0.29193946       2.39740173       0.52442966
Cr       1.39158000       0.55021000       1.54405000       2.39636023       1.38575968      -0.70875778
Cr       4.40842000       0.73706000       1.53313000       0.79933716      -2.37058368      -3.78275975
Cr       2.90713000       0.17589000      10.98325000       1.02450327      -2.31253234       2.39140264
Cr      -1.51886000       2.67060000      11.18143000      -0.35508686      -0.62195655      -1.96085052
Cr       1.36032000       2.62290000      11.17758000       0.02612888      -0.34151498      -1.28175159
O        1.67379000       0.89477000      19.59382000      -1.63062094      -0.06585002      -0.60584329
O        4.65852000       0.76120000      19.56219000       0.88775767       1.04050653      -0.52537528
O        3.14151000       3.74452000      19.48315000      -0.67638423      -3.04048992       1.38684646
O        4.28935000       2.41691000       0.35095000       0.38350804      -0.48861427       0.32278840
O        1.57709000       2.15360000       0.25909000      -1.08841001       1.50213084       1.32382216
O        2.90580000       0.14744000       0.23885000       0.66599588      -2.08703516       0.61192820
O        1.17391000       4.17962000       9.81600000       0.65283053      -0.10145784       0.56702280
O       -1.33553000       4.32880000       9.98162000      -2.12920979      -0.64653868      -1.09458638
O       -0.08787000       1.86620000      10.05787000      -0.13615138       0.39190483      -0.70263641
O        1.62824000       0.90840000      12.28281000      -0.35837622       1.31818906       0.64406121
O        4.36003000       1.02459000      12.24319000      -0.63558606      -0.38146877       0.36131362
O        2.87513000       3.40146000      12.15735000      -0.11268724      -0.49251332       1.02397176
O       -1.32545000       2.66937000      21.73721000       0.31186981      -0.60499994      -0.03156209
O        1.57515000       2.63065000      21.97736000      -1.31312352       0.87364856      -1.22274183
O        0.03437000       4.99839000      21.86665000       0.63660339       0.29758759      -0.08470524
O        1.44875000       4.06321000       2.56274000       0.08569264       0.48119706       0.17385869
O       -1.75654000       4.15721000       2.77065000       0.10508798      -0.88885669      -0.50152169
O       -0.07246000       1.32377000       2.58699000       0.80604014       2.03941590       1.14911751
O        1.22356000       0.77426000       5.14828000      -0.90521561      -0.88229628      -0.55842374
O        4.38058000       0.75466000       5.16517000      -0.62970675      -0.53093212      -1.21067604
O        2.59272000       3.39082000       5.09239000       1.02574515       1.24746641       0.28984467
O        4.47697000       2.44697000      14.62641000      -0.19169979       1.33364995       1.40948144
O        1.68477000       2.73088000      14.71252000       0.93455723      -0.62079768       1.15532918
O        2.92677000       0.29249000      14.82795000       1.08944606      -0.89470231      -1.51078949
O        1.42703000       4.20600000      24.31924000      -0.38114787       0.69657535      -0.96672780
O       -1.35782000       4.16334000      24.30238000       0.04670840       1.16277868      -1.38218143
O        0.03240000       1.96377000      24.12736000      -0.93900200      -2.41345141       1.35928202
O        0.24569000       0.10007000      21.67631000      -1.07270317      -0.16487402       0.51205641
O        3.05431000       1.41551000       2.49148000      -3.03161029       1.30612408       0.76832957
O       -0.14110000       3.54511000      12.11064000       1.49474075       0.44955062       0.49926960
O        5.66278000       0.01145000       7.23403000       0.38741099      -1.33887674       1.11440679
O        3.07173000       1.68866000      16.82542000      -1.44142744       2.69676614       2.73455820
O        0.01068000       3.40956000      26.36235000       0.13177730      -0.38132323       0.35720167
O        2.99488000       4.97641000       0.50147000      -1.96009499      -1.27165547      -1.58655004
O        2.88059000       1.75415000      10.03078000      -0.10380513       2.05115586       0.16851049
O        0.26328000       3.44882000      19.68803000      -0.65447103       0.27647335      -0.25413282
O       -0.01955000       1.56822000      17.04386000       1.65539295       0.58679046       0.39489979
O        1.79968000       4.43066000      17.13531000       0.95293139      -0.09490083      -0.89652689
O       -1.25737000       4.39790000      17.16639000      -1.45872418       0.38621581      -1.36290975
O        3.04945000       3.31179000      26.52111000      -1.67032999      -0.09524542      -0.09070729
O        1.54727000       0.95441000      26.28405000       0.47670865      -0.34029112       1.63496407
O        4.31060000       1.07285000      26.39201000      -0.05338934      -2.10437186       0.92865863
O       -0.15275000       4.94554000       7.39489000      -1.35198425      -0.14053871       0.15149527
O        4.32984000       2.55464000       7.43640000      -0.10193378       0.52039560      -0.44545832
O        1.03544000       2.51860000       7.45154000       1.04855229       0.67386821      -0.49663186
Zn      -0.02107000       0.13189000      27.01637000       0.01278769      -0.91563378       0.97165742
Zn       2.67415000       1.70413000       8.14701000       0.20638432      -0.11444307      -0.85352450
Zn       0.33322000       3.38227000      17.73143000      -0.40056902      -0.20298436       0.05419922
Zn       0.05480000       0.07260000      23.63888000      -0.07429243      -0.36077394      -0.10884292
Zn       2.79768000       1.62316000       4.31422000      -0.13147403       0.06733470       1.78851230
Zn       0.12762000       3.57171000      13.99480000      -0.45210429       0.07157565       0.50124294
Zn      -2.82613000       4.90662000      13.31419000       0.00536393       1.89268062       0.11268931
Zn       3.09089000       1.58564000      22.85514000      -0.39074525       1.00848436       0.31005080
Zn      -0.10670000       3.23855000       3.54448000      -0.13757145       0.09352566       0.71364847
Zn       5.75200000       0.03063000       9.42806000       0.35714569      -0.19578216      -0.63142312
Zn       3.18589000       1.85489000      18.91471000       0.03719209      -0.02538688      -0.32875049
Zn       0.06604000       3.30330000      28.36543000      -0.25996540       0.47094225      -0.13899103
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.82511666 magmom=72.0913536 free_energy=-552.83049663 stress="-0.03370577406318374 0.006052216949188927 -0.0021659678932696106 0.006052216949188927 -0.04139691563273622 0.0002225403088343455 -0.0021659678932696106 0.0002225403088343455 -0.033539099754912614" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50121000       0.97531000      15.90803000       1.34385581       0.22716625       1.33764705
Cr       4.55381000       0.90674000      15.90132000      -1.14212205       1.24776167       0.44342379
Cr       3.20280000       3.71426000      15.93839000      -2.01234957      -4.25002904      -1.65642111
Cr      -1.52620000       2.70160000      25.31200000       0.52397737      -1.61533025       0.30161683
Cr       1.48989000       2.52684000      25.23987000      -0.52597356       0.59467075       0.31272863
Cr       3.00675000       0.08004000      25.39248000       0.94559120      -0.89023038      -1.65867971
Cr       1.11330000       4.19851000       6.13738000       1.71835847       0.00547340       0.62230364
Cr      -1.69408000       4.21689000       6.30193000      -0.77716306       0.06859640      -0.06369703
Cr      -0.22951000       1.64815000       6.16999000      -0.14525487       0.62816707       1.54716001
Cr      -2.74552000       5.07948000      18.35075000       0.71879380       1.59568845       1.71945107
Cr       2.97071000       1.73098000      27.58864000       0.31228759      -0.13962328       3.03220869
Cr      -0.23487000       3.40700000       8.71393000       1.61594858      -0.42255179      -1.92569657
Cr       2.78461000       5.03122000       3.89673000      -0.03078458      -0.15905698      -1.03655450
Cr       2.95333000       1.80429000      13.54390000      -0.01247779       1.13228035      -1.25000816
Cr       0.04340000       3.49789000      23.08010000      -1.91591766      -1.96802004      -2.16498243
Cr       0.24971000       1.71459000      20.69146000       0.74002600       0.02772808       1.71312996
Cr       1.63018000       4.35722000      20.74530000      -0.21985586      -1.55799197       0.04648856
Cr      -1.29671000       4.28093000      20.53715000       0.86585063      -1.63546269       2.89772840
Cr       2.78101000       3.13533000       1.45991000      -0.30353958       2.67844450       1.29834778
Cr       1.45926000       0.54106000       1.44761000      -1.57904526       0.05902737       0.14345387
Cr       4.32032000       0.66505000       1.41504000       1.61270661       1.29167648       0.13943781
Cr       2.99574000       0.11681000      11.04450000      -2.83075287       1.26500922       1.49771213
Cr       4.28096000       2.65084000      11.08747000       0.36616050       0.14832966       0.79939969
Cr       1.33845000       2.67338000      11.23281000      -0.23428246      -0.43296922      -1.73139460
O        1.71647000       0.81301000      19.52750000      -1.37078334      -0.18159163      -0.74539779
O        4.82384000       0.92574000      19.64407000      -0.98751175      -2.02534544      -2.13307301
O        3.13633000       3.45438000      19.63311000      -0.86122802       3.03217461      -0.55290500
O        4.22307000       2.51790000       0.41863000       0.76166709      -1.79103204      -1.43876438
O        1.50521000       2.16784000       0.21741000       1.14960302      -0.42343108       0.39611093
O        0.02363000       5.03830000       0.26162000      -0.92169591       2.63597152      -0.44332019
O        1.12915000       4.30588000       9.88324000       1.54418563      -1.66750838      -0.27005851
O       -1.51614000       4.20134000       9.84511000       0.48476065       0.59247895       1.72666752
O       -0.22424000       1.93289000       9.97252000       1.32886591      -0.78051395       0.70493828
O        1.67303000       1.03620000      12.23328000      -1.52742787      -0.27453251       1.18238380
O        4.22003000       0.98237000      12.33967000       1.07415494       0.29635006      -0.78449286
O        2.87772000       3.34738000      12.29266000      -0.27891993       0.81541686       0.32537365
O       -1.18944000       2.46768000      21.75901000      -0.84439126       1.26917697       0.83592405
O        1.36678000       2.70176000      21.95369000       2.10636037      -0.19416521      -0.16457205
O        0.06608000       4.90832000      21.80102000       0.53293352       2.11951290       0.34346105
O        1.33642000       4.21051000       2.46643000       0.67404572      -1.32747915       1.59547470
O       -1.82130000       4.19741000       2.76265000       0.93124021      -1.36785567      -0.91581293
O       -0.02124000       1.35308000       2.53495000      -0.60408781       0.65971352       0.22834805
O        1.20159000       0.79841000       5.14655000      -0.36536205      -0.87017774      -0.60335165
O        4.33503000       0.71339000       5.08185000       0.67356818      -0.17813786      -0.01295550
O        2.74517000       3.55772000       5.17476000      -0.26524713      -1.30065630      -0.96283729
O       -1.43909000       2.57345000      14.69023000      -0.86011232      -0.13064445       1.06764290
O        1.59965000       2.56293000      14.96623000       0.12436223       2.42336607      -1.92655248
O        2.95841000       0.35571000      14.70010000       0.65920284      -1.41694422       2.06897592
O        1.36189000       4.18574000      24.23852000       0.86237271       1.17926835       0.41007461
O       -1.42137000       4.33437000      24.30430000       1.81661927      -0.54777491      -0.11170830
O       -0.11189000       1.81882000      24.20689000       0.57991268       1.15689856       0.65065972
O       -2.72518000       5.03233000      21.63493000       0.04223582       0.98309186       0.90573186
O        2.81734000       1.49589000       2.49394000       0.37019342      -0.22714818      -0.38597301
O       -0.12125000       3.67244000      12.21319000       0.21342604      -1.58376908      -0.79194859
O        2.67840000       5.02683000       7.28173000       0.03999361       0.60186598       0.26989911
O        3.07851000       2.00186000      16.89471000       0.39865976      -1.64443087      -0.16628532
O       -0.01824000       3.49513000      26.30234000       0.39259487      -0.96532100       0.88673304
O        2.87326000       4.85198000       0.44883000      -0.00057123       0.56466484      -1.23742680
O        2.81460000       1.81544000       9.98476000      -0.20084634       0.25793068       0.91287293
O        0.22412000       3.36568000      19.71415000       0.19141983       1.01730120      -0.97760650
O        0.04361000       1.57030000      17.17856000       0.33666023      -0.63160742      -1.23845899
O        1.83555000       4.35822000      17.24254000      -1.04738904       0.58184065      -2.13017733
O       -1.38543000       4.42162000      17.00711000       1.22518516       0.49402178       0.99259498
O        2.89248000       3.31996000      26.39099000       0.02806257      -0.10058881       0.33773939
O        1.68352000       0.95642000      26.37453000      -0.94174563       0.26816526       0.46399984
O        4.38494000       0.98540000      26.50442000      -0.66734537       0.79295779      -1.16486087
O       -0.24216000       4.83320000       7.40568000       0.14307731       2.05827828       0.00228807
O       -1.50226000       2.65641000       7.48566000      -1.20880788      -1.39295584      -1.05370038
O        1.10922000       2.61526000       7.18971000      -0.11423655      -0.67662122       1.76246289
Zn       0.08098000       0.12357000      26.98607000      -0.07009871      -1.09185387       1.46504256
Zn       2.60604000       1.70868000       8.05631000       0.82230200      -0.06137199      -0.62931496
Zn       0.30942000       3.32828000      17.83403000      -0.49120859       0.64486380      -0.59217267
Zn       0.04774000       0.03120000      23.58542000      -1.11091297       0.13829653      -0.88749786
Zn       2.88590000       1.57886000       4.38910000      -1.68809797       1.35105626       0.37672063
Zn       0.08312000       3.63833000      14.13902000       0.47193095      -0.88782115      -0.14851613
Zn      -2.81284000       4.91348000      13.49447000      -0.12286418       1.26354417      -0.90903120
Zn       3.16792000       1.62049000      22.90881000      -0.32978044       0.52795106      -0.76751763
Zn      -0.10672000       3.15631000       3.45961000      -0.26221344       0.48573961       0.39512767
Zn       2.82106000       5.11021000       9.42521000      -0.66929841       0.79708043      -1.26926031
Zn       3.22006000       1.85595000      18.83093000       0.31382720      -2.21656578      -0.26765316
Zn       0.12604000       3.29762000      28.43184000      -1.51527701      -0.94988683      -0.98884832
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.13537038 magmom=71.999109 free_energy=-550.13537038 stress="-0.05465959534865284 0.0014084538437923511 -0.00228480949757721 0.0014084538437923511 -0.044750811526758735 -0.007022699585006952 -0.00228480949757721 -0.007022699585006952 -0.0538247240413109" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52406000       1.04328000      15.97717000       3.18079980      -0.64497582      -1.20794726
Cr       4.63403000       0.92986000      15.88607000      -1.31191763       1.16090651       0.35945952
Cr       3.10486000       3.59418000      15.92690000      -1.23177253       1.56529431       0.28356599
Cr      -1.48759000       2.70162000      25.34292000      -0.61318407       0.14982559       0.42744091
Cr       1.48532000       2.57509000      25.27766000      -1.52473890      -0.50044519      -0.53148100
Cr       3.12508000       0.14170000      25.36900000      -1.85219804      -1.14443294      -0.30335714
Cr       1.17160000       4.19204000       6.06237000       0.07781557      -0.20760179       1.38650924
Cr      -1.79822000       4.24785000       6.37177000       1.04732392      -0.42732656      -0.85420194
Cr      -0.25291000       1.68401000       6.15465000      -0.02311101      -0.15573014       0.48688391
Cr      -2.80672000       5.09353000      18.42691000       1.02283950      -1.52356749      -5.59421207
Cr       3.00481000       1.75884000      27.60585000      -0.54509395      -0.37540423       1.00768011
Cr      -0.16429000       3.42728000       8.70422000      -0.24912654       0.07278746      -0.65619076
Cr       2.85195000       5.00347000       3.85416000      -0.60954197      -0.57738317      -3.31956458
Cr       2.86932000       1.79843000      13.53049000       0.92274372       0.74808517       1.21561741
Cr       0.00222000       3.52548000      23.02908000       1.79233208      -0.21998458       0.06031671
Cr       0.41788000       1.65272000      20.79661000      -2.84090121       0.10357480      -1.18685201
Cr       1.69166000       4.20315000      20.63844000      -2.49418070       3.30519025       2.75059212
Cr      -1.25347000       4.18862000      20.59959000      -0.66628291       0.50691442       2.22691000
Cr       2.71080000       3.30391000       1.46948000       1.11036134      -2.38920267      -0.40104037
Cr       1.44655000       0.55066000       1.35352000      -2.46727081       0.60996929       1.14397920
Cr       4.32176000       0.64158000       1.26334000       0.58798453       1.93485365       2.98690747
Cr       2.94195000       0.10150000      11.21300000      -2.47512761       0.03446557      -1.56328026
Cr       4.20315000       2.63270000      11.04190000       1.66192862      -0.04867981       2.87504171
Cr       1.31228000       2.68846000      11.19676000       0.55008385      -1.07211042       0.14942594
O        1.51860000       0.69108000      19.42677000       2.31101945       1.00361953       1.67729135
O        4.84140000       0.81256000      19.44856000      -2.15923598       1.05033300       2.51329620
O        3.02011000       3.51679000      19.66081000       2.75958527      -1.72321141      -2.43712359
O        4.28783000       2.31926000       0.26595000       0.47289933       1.27336150       0.54053909
O        1.59929000       2.16392000       0.28888000      -1.12808968       1.37990386      -0.72703811
O        2.87725000       0.09125000       0.19725000       0.13219416      -1.71440519      -1.29220900
O        1.24381000       4.16283000       9.96998000      -0.98366847       1.49085243      -0.79971858
O       -1.55464000       4.12912000       9.95864000       1.21179799       2.03340012      -1.04167039
O       -0.14012000       1.94718000       9.98735000      -0.06519601      -0.94322711      -0.63346776
O        1.47163000       1.16478000      12.38499000      -0.19955770      -2.33192169       0.41628634
O        4.15463000       1.03747000      12.26343000       1.02701624       0.13675194       0.74464466
O        2.82320000       3.36043000      12.42889000       0.26454289       1.15669493      -0.66296955
O       -1.09984000       2.50458000      21.88554000      -1.03273298       0.28851467      -1.35904895
O        1.44886000       2.78820000      21.88503000       1.63667400      -1.37291855       1.04974993
O        0.20610000       5.08438000      21.77851000      -0.76296163      -0.46602557      -0.26222548
O        1.42130000       4.22748000       2.60057000      -0.27655099      -0.06061494      -0.29889885
O       -1.78643000       4.04428000       2.56159000       0.71666799       1.06827728       0.44388367
O       -0.06793000       1.43308000       2.52067000      -0.33225348      -1.82586200      -0.85889018
O        1.05746000       0.65173000       5.08776000       2.49271059       1.61226980       0.84060481
O        4.42546000       0.61927000       4.99146000      -0.82160502       1.40109835       0.06006370
O        2.83748000       3.53138000       5.10428000      -1.28693159      -1.77812794      -0.12862426
O        4.27463000       2.63646000      14.93871000       2.94194988      -0.94301048      -3.26879620
O        1.60497000       2.70608000      14.92227000       0.22991232      -0.67474887      -0.61000686
O        3.14367000       0.31388000      14.86624000      -1.35334555       0.62759794      -0.50473093
O        1.36515000       4.32135000      24.19975000       0.69184964      -0.96475224       0.15598820
O       -1.15892000       4.39392000      24.25911000      -2.59781165      -0.16400163      -0.25515188
O       -0.12360000       1.84039000      24.41179000       1.57709772      -0.32119960      -2.64600755
O       -2.75898000       5.02806000      21.67188000       1.03654026       0.24506807      -0.72961028
O        2.62919000       1.58851000       2.38405000       2.21532788      -0.59259335       1.96852743
O       -0.06704000       3.52562000      12.10330000      -1.82512297       0.40562927       2.43080983
O        2.66433000       5.02090000       7.33825000      -0.70652366       0.90192168      -0.22215645
O        3.11242000       2.06093000      16.96142000      -0.48266143      -2.62766548      -0.39359136
O        0.02626000       3.42876000      26.34566000       0.25873317       0.67838638       0.80161414
O        2.65520000       4.78346000       0.18525000       1.13273934       0.69691468       1.44706740
O        2.71239000       1.92174000      10.15221000       0.31532777      -2.14077972      -2.20415341
O        0.20014000       3.42310000      19.69458000       0.51610796      -1.25858829       0.13081286
O        0.16378000       1.48333000      17.10484000      -1.33503245       1.95429981       1.42001099
O        1.73970000       4.45410000      16.96706000      -0.67603331      -0.40594402       1.99143484
O       -1.37226000       4.49493000      16.94254000       0.05703841      -1.12946325       1.53500906
O        2.74816000       3.34283000      26.33710000       2.97842605       0.36859835       1.33900218
O        1.66831000       0.98000000      26.50625000       0.46001390       0.24394967      -1.99430112
O        4.38392000       1.00232000      26.41007000       0.66801407       1.19668910       0.83954197
O       -0.33519000       4.99145000       7.38279000       1.13597567      -0.79276258      -0.08235109
O        4.32157000       2.57730000       7.31819000       0.07493335      -0.15892317       0.98103569
O        1.10153000       2.65399000       7.18221000      -0.76590018      -0.31907098       1.20781160
Zn       0.17858000       0.05241000      27.02490000      -1.27715609      -0.29541802      -0.41432437
Zn       2.57704000       1.71149000       7.92212000       1.12238694       0.38083099       1.22703146
Zn       0.25154000       3.29847000      17.89081000      -0.19247748       0.93011156      -3.07457288
Zn       2.94497000       5.10510000      23.49680000       0.75704076       0.56331365       1.72198415
Zn       2.89580000       1.60066000       4.50607000      -1.50010312       0.45347432      -1.12293906
Zn       0.05123000       3.65811000      14.30243000      -0.68444254      -1.35153371      -1.13873132
Zn      -2.80394000       4.99815000      13.67049000      -0.08732675       0.70046210      -1.54434738
Zn       3.23245000       1.69131000      22.94320000      -0.42413972       0.08412101      -0.24477860
Zn      -0.12083000       3.09874000       3.40479000      -0.05524391       1.16065861       0.73208256
Zn       5.76335000       0.00740000       9.35494000      -0.08919114       0.61109530      -0.15295883
Zn       3.27525000       1.75961000      18.73328000      -0.24645579      -0.77907426       2.07496923
Zn       0.11269000       3.25643000      28.45418000      -0.89653680       0.13262194      -0.92790192
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.7472411 magmom=71.9967908 free_energy=-549.7472411 stress="-0.03188456935820992 0.0016150168005247677 0.0017070757521317093 0.0016150168005247677 -0.04771158679236671 0.0030809170636476187 0.0017070757521317093 0.0030809170636476187 -0.03205836835538975" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.68927000       1.04098000      16.03482000      -4.12643844      -2.52675700      -1.16906578
Cr       4.64814000       1.01730000      15.90431000      -0.34700981      -0.45310398      -0.60377293
Cr       2.95382000       3.51523000      15.94963000       2.32676320       1.27536096      -0.06764201
Cr      -1.47062000       2.68394000      25.43219000       2.73389584       1.64940240      -3.95806506
Cr       1.43926000       2.61297000      25.33587000       1.62712844       1.26224892      -0.76039393
Cr       3.14824000       0.17538000      25.36208000      -0.92305045      -1.19940995      -1.30455310
Cr       1.24160000       4.17299000       6.06872000      -1.43179008       0.60687110       0.75469725
Cr      -1.84586000       4.25403000       6.40376000       1.21352536      -0.34038995      -1.71705241
Cr      -0.27576000       1.72498000       6.17386000       0.49213920      -1.01183434      -1.25598920
Cr      -2.81833000       5.04661000      18.32080000       0.78989289       1.28763599       0.35574040
Cr       3.03670000       1.75561000      27.63976000      -1.34743733      -0.45674059      -0.62647077
Cr      -0.10345000       3.46026000       8.65925000      -1.88907271       0.42939324       2.62425143
Cr       2.90568000       4.94916000       3.65691000       0.10534939      -0.22217763       4.00188538
Cr       2.83934000       1.84782000      13.55499000       1.87292557       0.00093663      -1.44933294
Cr       0.05250000       3.53230000      22.96130000       2.55242777      -0.03122006       1.63127425
Cr       0.43833000       1.60162000      20.82847000      -1.03545574       2.51843433      -1.84034467
Cr       1.68663000       4.20438000      20.61614000       0.76060035       0.31762992       1.37378397
Cr      -1.25953000       4.12126000      20.73663000       0.76540994       1.93826094      -3.59041582
Cr       2.71107000       3.33920000       1.44877000       1.59901046      -3.31581192       0.04205562
Cr       1.31338000       0.61396000       1.31166000       2.46021043       0.95318785      -0.65717228
Cr       4.33331000       0.73880000       1.23680000      -3.53531438      -0.87739211       2.33490039
Cr       2.74446000       0.09458000      11.33248000       0.17640605      -0.87124540      -1.41182501
Cr       4.20621000       2.62507000      11.13770000       0.92669598       1.00659756      -0.46069663
Cr       1.29919000       2.64139000      11.16424000      -0.51526207      -0.11774253       1.00194044
O        1.62383000       0.73428000      19.56492000      -0.53448864      -0.60230523      -0.77826966
O        4.64910000       0.71512000      19.57030000       2.64717995      -0.63127388       0.05088660
O        3.24987000       3.41339000      19.38479000      -0.78314763       1.13759532       1.00308573
O        4.41562000       2.30459000       0.21579000      -1.88763264       0.79728261       0.87567650
O        1.57996000       2.31873000       0.27866000      -0.07215823      -0.48538687      -0.03961968
O        2.73212000       0.07351000      28.59731000       0.72880987      -0.28597097       1.60698718
O        1.15885000       4.20252000       9.96946000       0.65642165       0.52526120      -0.04687403
O       -1.32973000       4.29957000       9.98891000      -2.10327195      -0.53251448      -0.73597207
O       -0.05864000       1.86400000       9.94950000      -1.04420982       0.82319298      -0.09471933
O        1.30762000       0.95485000      12.58906000       1.88289127       0.87235819      -1.16673657
O        4.14942000       1.11215000      12.25382000      -0.74569738      -1.30593996       1.22430939
O        2.79654000       3.47797000      12.40155000      -0.24461339      -0.99765351      -0.63368698
O       -1.14602000       2.64077000      21.80842000       0.02082734      -2.31093402       0.97917384
O        1.79063000       2.66603000      21.91783000      -1.79648955       0.00806048      -0.27698231
O        3.18122000       0.00858000      21.74723000       0.10612237      -1.24289742       0.46381455
O        1.51948000       4.19530000       2.65770000      -1.90874360      -0.60420748      -1.48247505
O       -1.66603000       4.09765000       2.38923000       0.18493350       0.18607466       0.93651112
O       -0.16549000       1.19993000       2.36208000       1.11643269       2.97026565       1.28057125
O        1.22419000       0.69729000       5.13378000      -1.09438140      -0.34186957      -0.15959684
O        4.48186000       0.68752000       4.93697000      -0.10978419      -0.38581555      -0.25129512
O        2.67770000       3.35902000       5.04496000       0.86043947       2.98771220       0.78126991
O       -1.47909000       2.58186000      14.73186000      -1.87902526      -0.17066900       1.01092553
O        1.70605000       2.78041000      14.73081000      -1.41842431      -0.79726973       1.96774042
O        3.09143000       0.38719000      14.95881000      -0.21628530      -1.33710244      -2.39723711
O        1.43552000       4.28222000      24.26548000      -0.11962045      -0.19538389      -0.17519940
O       -1.22752000       4.35272000      24.18009000      -0.43838498      -0.12442336       0.63600183
O        0.09542000       1.93300000      24.18456000      -1.14907757      -0.30483849      -0.24546314
O       -2.63906000       5.06276000      21.59181000      -1.49772627      -1.34591835       1.88691379
O        2.81116000       1.56525000       2.50549000      -0.21054492      -0.14879802      -1.41323748
O       -0.25122000       3.41539000      12.29656000       0.94985611       0.85429172      -0.42436811
O        5.52633000       0.05896000       7.28568000       0.33591952      -0.69770366      -0.18432052
O        3.08909000       1.71232000      16.85184000       2.12053549       2.96399626       2.41126645
O        0.10860000       3.45817000      26.44507000      -0.51195683       0.60979967      -0.60913246
O        2.63443000       4.88082000       0.25870000       1.89669271       0.04399183      -0.22015456
O        2.69174000       1.71292000      10.05550000       0.47829464       0.65909839       0.27495334
O        0.25217000       3.29620000      19.75430000      -0.12088261      -0.32673527      -0.71366098
O        0.12815000       1.62836000      17.15102000       0.36297008      -1.45247817      -0.59953721
O        1.54093000       4.49587000      16.95429000       1.87299648      -0.88542321       1.05090141
O       -1.35986000       4.43134000      17.12046000      -1.23379613      -0.03178930      -0.99155800
O        3.04212000       3.35689000      26.46207000      -1.41804197      -1.00000039       0.20931901
O        1.69494000       1.04328000      26.27846000      -0.28029062      -1.02328985       1.95676759
O        4.48509000       1.16031000      26.41117000      -0.23137785      -2.52137247       1.48260276
O       -0.23567000       4.95858000       7.30170000      -0.19079195      -0.44346939      -0.17185930
O        4.26485000       2.49854000       7.27097000      -0.06871006       1.41102102       0.88359836
O        0.93676000       2.64077000       7.36751000       2.35006813      -0.48553712      -1.55196903
Zn      -2.72149000       5.07901000      27.05253000      -0.15123711       1.90887585      -0.45313660
Zn       2.60401000       1.73347000       7.83748000       0.06905794      -0.49514991       1.63134848
Zn       0.17458000       3.32722000      17.80954000      -0.34818179       1.91567541       0.50425577
Zn       2.92635000       5.09583000      23.47428000       1.09259058       0.65235754       0.75331981
Zn       2.82029000       1.63036000       4.56844000       0.18800095      -1.90397312      -1.45161671
Zn      -0.01565000       3.61277000      14.42096000       0.86080736       0.79631282      -1.73919352
Zn       0.14881000       0.02030000      13.79914000      -0.49287101      -0.22371942      -1.27932793
Zn       3.27712000       1.77448000      22.97095000      -0.53223999      -0.22451052      -0.32263963
Zn      -0.13935000       3.09143000       3.39061000       0.08360635       0.43023607       0.62140389
Zn       5.74414000       0.05148000       9.26200000       0.23957815      -0.32648794       1.09519080
Zn       3.30961000       1.60603000      18.73092000      -1.62577871       0.13471412       0.99740177
Zn       0.04214000       3.22142000      28.42066000       0.10328168       1.68250361      -1.21409435
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.5075989 magmom=72.1425831 free_energy=-549.51552401 stress="-0.039092029965289585 0.005406143515984577 0.007760599111595775 0.005406143515984577 -0.052933511036787693 0.008552068630959267 0.007760599111595775 0.008552068630959267 -0.044131970515644166" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.67590000       0.89773000      16.05683000      -0.14872977       1.16324958      -1.43656462
Cr       4.65211000       1.06606000      15.90310000      -1.36631304      -2.29179387      -1.13830131
Cr       2.92038000       3.54610000      16.01602000       1.61837126      -1.68929043      -2.05041876
Cr      -1.34403000       2.70306000      25.38097000       0.25875096      -1.84680024      -1.11958643
Cr       1.49034000       2.68204000      25.38658000       1.71773330      -1.61551770      -0.60452075
Cr       3.10388000       0.17265000      25.33124000       0.14246545      -0.41794250      -1.06031138
Cr       1.22096000       4.18831000       6.12537000      -0.48950518       0.44002825      -0.72449127
Cr      -1.80480000       4.24034000       6.33201000       0.68505028       0.18710032      -0.92999987
Cr      -0.27686000       1.72451000       6.13021000       0.29289795       0.27869010      -0.09687467
Cr      -2.79857000       5.02773000      18.21528000       0.36986654       1.97212930       5.10541816
Cr       3.02367000       1.67653000      27.62550000      -0.64285485      -0.60551339       0.91485434
Cr      -0.12944000       3.51195000       8.73708000      -0.77228974      -0.65621809      -0.89612585
Cr       2.92833000       4.88942000       3.64138000      -1.36198706       1.84214881       0.92810758
Cr       2.90124000       1.90749000      13.51230000      -1.94791856      -0.58710031       0.40721409
Cr       0.24461000       3.52984000      22.97874000      -1.25665452      -2.12105381      -0.33057334
Cr       0.38076000       1.64338000      20.75654000      -0.83659680      -1.80285199       0.77584412
Cr       1.72801000       4.22476000      20.66241000       0.43686730      -2.76404159       0.53057399
Cr      -1.24516000       4.14503000      20.68955000       0.74381225      -0.72688013      -0.97355138
Cr       2.81272000       3.18424000       1.40905000       0.42112308       3.58754006       1.02917357
Cr       1.31375000       0.73888000       1.25507000       1.38298074      -0.22103437       2.14519406
Cr       4.17386000       0.79837000       1.30955000       4.34144223      -4.13447602       0.71674677
Cr       2.55897000       0.03866000      11.35419000       3.87871380      -0.00703370      -3.09488415
Cr       4.26468000       2.64555000      11.23954000      -1.22247087      -1.39258400      -2.42803752
Cr       1.26406000       2.58713000      11.17416000       0.38881647       0.76511948      -0.62139099
O        1.66510000       0.69442000      19.61378000      -0.12891387      -0.24083391      -1.41641022
O        4.86845000       0.65655000      19.68141000      -0.31735820       1.55058772      -2.34354336
O        3.41079000       3.46574000      19.27928000      -1.31698447      -0.58239501       1.27198526
O        4.22030000       2.45956000       0.36574000       0.72445993      -0.52007750      -1.65926924
O        1.53732000       2.38411000       0.24021000      -0.00041235      -0.44270507      -1.36457875
O        2.72351000       0.04099000       0.06379000       0.89080949       0.58375674       0.48013438
O        1.11724000       4.30086000       9.97549000       0.65637610      -0.70260507       0.69201426
O       -1.45053000       4.38089000       9.89653000      -1.41287602      -1.16021529       0.52331288
O       -0.17480000       1.97703000       9.93890000      -0.16111778      -0.59843751       0.82878511
O        1.50292000       0.90368000      12.56319000      -3.07863054       1.75871326       0.65251922
O        3.99150000       1.02373000      12.37048000       2.22100403      -0.71974164      -1.14928782
O        2.73824000       3.34768000      12.22407000       0.09034819       0.83221024       0.93080994
O       -1.12807000       2.50958000      21.80798000       0.52239934       0.50931523       0.18641136
O        1.73972000       2.53408000      21.87599000      -0.61935295       0.99556644       0.13941597
O        0.26717000       4.87141000      21.76077000      -0.04924352       2.41791231      -0.75645303
O        1.43507000       4.09435000       2.44590000       0.24198589       0.58649160       0.66987308
O       -1.57252000       4.24995000       2.40814000      -0.73588440      -1.13088531       0.88681390
O       -0.11951000       1.36599000       2.41317000      -0.33961568       0.44885665       0.71815601
O        1.19088000       0.69533000       5.18571000      -0.26595168       0.58944269      -1.33851226
O        4.51140000       0.69888000       4.87692000      -1.53977135       0.23040561       0.05129735
O        2.70205000       3.63342000       5.10129000       1.09528645      -3.12240124      -1.09374127
O        4.29842000       2.47373000      14.66236000       1.09157419       1.98463964       1.83329954
O        1.64620000       2.62714000      14.91009000      -1.11558111      -0.07647306       0.66321700
O        2.94400000       0.31121000      14.67823000       0.91733448       0.21586695       2.30165226
O        1.44880000       4.21963000      24.31024000       0.96499767       1.79223780      -0.48412796
O       -1.33401000       4.23750000      24.22081000       1.27808775       0.69856988      -0.13496458
O        0.18068000       1.98061000      23.97215000      -0.38450497      -1.70890891       3.61626150
O       -2.71174000       4.93342000      21.68714000       0.44593132       0.77214269      -0.43678531
O        2.94497000       1.52799000       2.39125000      -2.82791361       0.86372809       2.06830915
O       -0.30784000       3.48585000      12.36239000       1.17061483      -0.56045719      -0.11566025
O        5.51941000       0.08192000       7.17665000       0.55771095      -0.61873784       1.54365123
O        3.26828000       1.77204000      16.95656000      -1.70224606       0.37552331      -0.20275758
O        0.10463000       3.59049000      26.34469000      -0.31693468      -0.46718692       0.71267195
O        2.88160000       4.99251000       0.41454000      -1.85808292      -0.86841460      -2.16884464
O        2.76309000       1.61249000      10.05531000      -0.59726771       1.46410660       0.72480092
O        0.30909000       3.17452000      19.71234000      -0.24070212       2.35390104      -1.66827432
O        0.12613000       1.58173000      17.09826000       0.63504658       0.48464939       0.15435831
O        1.66841000       4.39691000      17.14051000      -0.85779805       0.71686447      -0.81555608
O       -1.50861000       4.35412000      17.07329000       1.64855983      -0.37013144      -1.80364927
O        3.14881000       3.22887000      26.56486000      -1.07938640       0.89858161      -1.29204804
O        1.67205000       0.98181000      26.28844000       0.22873966       0.56927036       0.71619100
O        4.57213000       0.98027000      26.56849000      -1.42794288       0.62878473      -1.46509858
O       -0.19093000       4.77931000       7.21720000      -0.72129390       2.64727553       1.50098156
O        4.27934000       2.66355000       7.36039000       0.31843532      -1.02530412       0.36550561
O        1.05321000       2.60353000       7.32755000      -0.10668306       0.18800100      -0.05667421
Zn      -2.68650000       5.07818000      27.05799000      -0.69122994       0.03177272       1.02957396
Zn       2.64638000       1.73387000       7.83774000       0.72460927      -1.08407466       1.47377121
Zn       0.07568000       3.44346000      17.73143000       0.04492983      -0.49986972       1.14679809
Zn       0.01208000       0.01512000      23.50696000       0.52823431       0.76808001       1.17843721
Zn       2.74691000       1.58858000       4.55387000       0.79102844       0.34234240      -0.75048391
Zn      -0.05576000       3.59074000      14.45304000       0.56986061      -0.92845241      -1.79627169
Zn       0.12827000       0.15373000      13.87089000       0.00734565      -0.10891231      -2.08187043
Zn       3.29399000       1.84811000      22.99278000      -0.39626976      -0.23512365      -0.45650393
Zn      -0.15345000       3.11133000       3.41658000       0.22206692       0.68027303       0.22319711
Zn       5.73550000       0.08454000       9.21110000      -0.54018087       0.08753494       0.53529543
Zn       3.27406000       1.45206000      18.81272000       0.00683531       0.84969444       1.94434331
Zn      -0.03236000       3.26549000      28.32616000      -0.39805269       0.49937149       0.04002722
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.01764895 magmom=72.0078999 free_energy=-551.01764898 stress="-0.04522884097123882 -0.004921564300484393 -0.005196306213632649 -0.004921564300484393 -0.034198114495417806 -0.007500841077058863 -0.005196306213632649 -0.007500841077058863 -0.04068108132014505" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57721000       0.79965000      16.01723000       1.62630173       2.98180580      -1.42861596
Cr       4.59722000       0.98184000      15.88162000      -1.79040266      -0.20789627       1.13802877
Cr       2.96657000       3.54419000      16.03857000      -1.91196079      -2.68624773      -1.87633900
Cr      -1.22357000       2.61446000      25.28324000      -3.01179485      -0.66721053       1.72774133
Cr       1.64842000       2.67502000      25.41797000      -1.03369854       0.04491929      -1.18095869
Cr       3.06389000       0.18217000      25.29870000       0.21304604      -0.97394863      -1.32878033
Cr       1.16092000       4.23634000       6.15527000       1.38901665       0.17675227      -0.37066756
Cr      -1.70218000       4.23122000       6.21253000      -0.06510406       0.20583570       0.85530851
Cr      -0.26306000       1.73047000       6.08341000      -0.31284305      -0.00655275       1.52888135
Cr      -2.73864000       5.05823000      18.26538000       0.70921699      -0.11905976      -0.85004681
Cr       2.99913000       1.54542000      27.64760000       0.58314434       2.30198445      -0.36755363
Cr      -0.21404000       3.53893000       8.79363000      -0.42052207      -0.71738516      -0.84635287
Cr       2.86122000       4.93470000       3.70622000      -1.67391045       1.32258098       0.21280439
Cr       2.90035000       1.90884000      13.48475000      -1.18168595      -1.54586400       1.26193610
Cr       0.36697000       3.41901000      22.99296000      -3.14701830       0.80444320       1.26742578
Cr       0.28522000       1.62364000      20.68101000       0.83359921      -0.26015149      -0.11362345
Cr       1.79909000       4.11769000      20.70295000      -0.25587826       0.77806478      -2.34857993
Cr      -1.18432000       4.15180000      20.55983000       0.68692950      -0.65667468       2.11975668
Cr       2.90431000       3.21613000       1.41398000      -0.66240575       2.49980009      -0.81902055
Cr       1.37366000       0.83767000       1.29129000      -2.38333707      -1.13425853       1.91749842
Cr       4.18721000       0.67518000       1.40552000       3.62998862       1.19336354       1.13591079
Cr       2.57392000       0.00481000      11.23405000       1.79211490       1.41580632      -0.14833319
Cr       4.24998000       2.59394000      11.23692000      -1.76997788      -0.42776012      -0.70463517
Cr       1.25419000       2.58909000      11.15808000      -0.33551396       1.04448445       0.45678314
O        1.61179000       0.60085000      19.45669000       0.14677014       0.95910251       0.35101566
O        5.02553000       0.82857000      19.44928000      -2.72225104      -0.77453510       1.19189039
O        3.31961000       3.48916000      19.44365000      -1.15973563      -1.18152861       0.26114415
O        4.20180000       2.44196000       0.22230000       1.04713195      -0.96761573       0.88731435
O        1.53828000       2.35570000       0.05744000      -0.04536157       0.44798088       1.07718647
O        2.84746000       0.07435000       0.27312000      -0.70614746      -1.12004388      -0.97994518
O        1.13108000       4.22223000      10.07602000      -0.61352361       0.93467124      -1.17701338
O       -1.73011000       4.20374000       9.93072000       1.72830637       0.34078488       0.49991388
O       -0.31034000       2.04138000      10.05107000       1.52763101      -1.98706107      -1.83717952
O        1.37109000       1.12687000      12.46207000      -0.34585289      -1.60717457       0.68606305
O        4.06835000       0.89492000      12.28887000       0.27888149       0.77310318       0.65666930
O        2.71530000       3.26505000      12.18064000       0.73311738       1.86395630       1.91361006
O       -0.97737000       2.46071000      21.87409000      -1.18009803       0.78962884      -0.26689869
O        1.52525000       2.58193000      21.83879000       2.99413388      -1.29410614      -0.22654985
O        0.30872000       4.88239000      21.68596000      -0.18154752       0.69717233       0.68874468
O        1.44593000       4.13240000       2.33263000      -0.05443180      -0.03615755       1.86943655
O       -1.68301000       4.25132000       2.57338000       0.41648795      -0.43897538      -0.84651949
O       -0.09967000       1.53432000       2.56974000      -0.48519142      -1.96068968      -1.25216204
O        1.03137000       0.73767000       5.03684000       1.06013441      -0.20135939      -0.28100043
O        4.33800000       0.70138000       4.89061000       0.56245363      -0.52334641       0.75423288
O        2.89594000       3.44871000       5.00292000      -1.35527980      -0.00379222       0.25325131
O        4.20115000       2.60722000      14.87109000       0.83060485       0.02909852      -1.54850893
O        1.43304000       2.49324000      15.19322000       0.96845307       1.84955869      -2.17750161
O        2.97791000       0.31879000      14.72940000       0.78112131      -0.25354282       0.92804754
O        1.52359000       4.36741000      24.28350000      -0.19895721      -1.11357536       0.00540390
O       -1.16161000       4.21877000      24.23899000      -0.29041541       0.61643616      -1.50332224
O        0.21117000       1.85898000      24.36071000       0.99641632       0.11146809      -1.61243180
O       -2.71387000       4.92513000      21.68714000       1.22030414       1.04022702       0.12722988
O        2.70388000       1.59995000       2.45771000       1.29676345      -0.28339257       0.02360554
O       -0.17917000       3.48251000      12.25550000      -0.63379632      -0.41711323       1.00382096
O        2.67357000       5.09300000       7.24094000      -0.13221979       0.30693992      -0.84806480
O        3.26964000       1.92902000      17.06523000      -0.98587101      -1.95742463      -0.07590392
O        0.07540000       3.61103000      26.27926000       0.77343679      -0.78552680       1.27352270
O        2.91497000       4.99206000       0.30914000      -0.85421895      -0.03766714       1.46505769
O        2.71787000       1.76717000      10.21949000      -0.00925856      -1.17341724      -2.15029232
O        0.33392000       3.38717000      19.53135000      -0.04867591      -0.77479675       1.40538729
O        0.17912000       1.55332000      17.02867000      -0.92586955      -0.19323653       1.50338550
O        1.68697000       4.43073000      17.17848000      -0.17474873       0.83885056      -0.75723502
O       -1.39006000       4.23108000      16.78442000      -0.45732703       0.78256912       1.93884336
O        3.06245000       3.22255000      26.43309000       1.97459949       0.45727001       0.69665263
O        1.68843000       0.98149000      26.41042000      -0.30456444      -0.23635197      -0.99677568
O        4.41574000       0.86947000      26.46625000       0.80813474       1.04186945      -0.22132770
O       -0.25454000       4.99769000       7.36495000       0.39352854      -0.74092608      -0.59466154
O       -1.50265000       2.71503000       7.45725000      -0.32806363      -0.78275052      -0.95192455
O        1.14329000       2.61994000       7.20148000      -0.59165572      -0.01241560       0.79523140
Zn      -2.69615000       5.08894000      27.09954000      -1.28437941      -0.41384252      -0.81883086
Zn       2.72199000       1.68285000       7.91718000       0.37521720       1.27086039       1.36910567
Zn      -0.01384000       3.54389000      17.70386000       1.87478251      -1.79120822      -0.01250402
Zn       0.08733000       0.08421000      23.59414000       1.50462537       0.01930274      -0.08629089
Zn       2.71068000       1.56133000       4.49392000      -0.42145844       0.41592266      -0.63578713
Zn      -0.05247000       3.53683000      14.40268000       0.51174855      -0.20590463      -1.37893579
Zn       0.10069000       0.27571000      13.86628000      -0.00355794      -0.13583493      -2.42789056
Zn       3.29086000       1.90483000      23.00037000      -0.20409780      -0.51022297      -0.59557373
Zn      -0.15686000       3.17941000       3.47580000       0.08633374       1.24249750       0.60802109
Zn       5.69359000       0.12316000       9.18806000      -0.93848036       0.23147238       1.04448921
Zn       3.23611000       1.34553000      18.97238000       0.74853487       1.83648676      -0.52579442
Zn      -0.11668000       3.34666000      28.22412000       0.49007952      -0.34852509       0.26998087
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.62805555 magmom=72.0035597 free_energy=-551.62805555 stress="-0.041602127733407004 -0.007513520752780167 -0.007194301059170717 -0.007513520752780167 -0.033023621555269674 -0.00496576493921587 -0.007194301059170717 -0.00496576493921587 -0.033179094114765405" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52496000       0.86247000      15.95957000       0.47841172       1.97089203      -0.31442167
Cr       4.47981000       0.89372000      15.94690000       1.41325917       3.42377937      -0.00671364
Cr       2.93908000       3.44976000      16.03433000      -0.67000550      -0.19667870      -1.35201245
Cr      -1.27046000       2.50115000      25.29055000       0.90198077       2.29726136      -0.61189099
Cr       1.76405000       2.65361000      25.41414000      -1.13730215       1.22356983      -0.61267393
Cr       3.04498000       0.15725000      25.25789000       0.94281446      -2.13069384      -1.20521435
Cr       1.18009000       4.27245000       6.16684000       1.30773175      -1.85805176       0.99469312
Cr      -1.61864000       4.22538000       6.14462000      -1.37437749      -0.02666310       0.19771668
Cr      -0.25141000       1.73409000       6.11984000       0.55235181      -0.73404839       0.61130596
Cr      -2.66076000       5.06717000      18.23584000      -2.40675505      -0.87077000      -0.10971113
Cr       3.00489000       1.52254000      27.65848000       0.44154665       1.26450225       0.65032752
Cr      -0.31614000       3.51254000       8.77180000       1.05012428      -1.58119219      -1.26772687
Cr       2.71902000       5.03608000       3.77224000       0.55874457      -2.22950669       1.15027728
Cr       2.83425000       1.82667000      13.53554000      -0.03902450       0.21977508       0.66042077
Cr       0.32719000       3.34314000      23.03537000       0.62916286       1.20847618      -1.74643463
Cr       0.23637000       1.58174000      20.61283000       1.49020091       1.37697960       0.83111563
Cr       1.84740000       4.07581000      20.63553000      -1.48577359       2.64207292       1.99596476
Cr      -1.11511000       4.13797000      20.54648000      -1.45385443       1.02125965       2.75460407
Cr       2.91506000       3.37722000       1.39612000      -0.66585142      -3.73876103       0.01041930
Cr       1.33134000       0.86278000       1.40885000       0.63644095      -1.34602854      -0.45040927
Cr       4.37399000       0.62051000       1.48360000      -3.55457506       2.47618021      -1.45866031
Cr       2.70721000       0.04326000      11.11929000      -1.13915280      -0.05120876       2.15805853
Cr       4.15311000       2.51189000      11.19148000       1.21378267       1.58426210      -0.03878998
Cr       1.24527000       2.65059000      11.17092000      -0.04229207       0.01337900       0.74199691
O        1.56231000       0.64991000      19.41647000       0.04398918      -0.25330072       0.61581554
O        4.87305000       0.78681000      19.41687000       1.59477038      -1.76798128       0.97452681
O        3.13047000       3.31376000      19.61217000       2.74634238       0.06610773      -2.42490625
O        4.40618000       2.20474000       0.16427000      -1.20958486       0.64574025       1.72248090
O        1.56060000       2.39042000       0.09957000       0.40554337      -0.06867500       0.96126469
O       -0.07770000       5.09017000       0.34831000      -0.56947819       1.29307634      -0.29397073
O        1.01690000       4.24771000      10.00592000       1.18294536       0.37868608      -1.12736907
O       -1.64014000       4.09486000      10.06379000      -0.40248893       1.78346666      -1.14434464
O       -0.22350000       1.85565000       9.94468000      -0.10293589       1.34875509       0.27239560
O        1.22847000       1.13518000      12.42591000       1.91307031      -0.78713096      -0.14592948
O        4.11825000       0.95859000      12.26061000      -0.86922750      -0.64353891       0.97747212
O        2.79505000       3.38564000      12.39925000      -0.54575608      -0.54851373      -0.76441234
O       -0.96965000       2.57615000      21.83119000      -0.90568293      -0.62403723      -0.25779796
O        1.71618000       2.51961000      21.79589000      -0.35661892      -0.28057657       0.60890697
O        0.32181000       4.96604000      21.70083000       0.33375252      -0.77201711       0.45367656
O        1.49736000       4.18123000       2.56778000      -1.14957112      -1.24540631       0.06712153
O       -1.79470000       4.20645000       2.61237000       1.46778987       0.72536628       0.08581628
O       -0.15712000       1.34810000       2.52188000       0.25608865       2.80518392       1.04126602
O        1.01629000       0.74840000       4.91151000       0.91192288       0.04438345       1.67644399
O        4.28913000       0.64063000       5.05334000       0.09589560       1.74908334      -1.12902687
O        2.86060000       3.35935000       5.01359000      -0.67962000       1.78429609       0.68492508
O        4.21282000       2.69163000      14.79371000      -0.14267830      -1.47970353      -0.45741707
O        1.47703000       2.61800000      15.05981000       0.78330776      -0.59817907      -1.04204802
O        3.08723000       0.33684000      14.90244000      -1.90969106      -1.70935466      -2.31473713
O        1.53723000       4.30474000      24.26273000       1.04312967      -0.15393677      -0.02705409
O       -1.02155000       4.26616000      24.04717000      -1.73776291      -0.69218858       0.93286934
O        0.34502000       1.80968000      24.48805000      -0.81774657       0.70958753      -2.42443031
O       -2.54654000       5.07880000      21.60927000      -0.93655078      -0.83830515       0.92629675
O        2.67131000       1.65557000       2.47740000       1.85427433       0.04281872      -0.58524312
O       -0.18646000       3.42653000      12.22168000      -0.63072206       0.68353072       0.20245861
O        2.75399000       5.05055000       7.17540000      -0.20905727       0.46609791       0.28548335
O        3.06568000       1.77639000      17.03187000      -0.50419260      -0.53521048       0.24960591
O        0.16823000       3.49535000      26.31312000       0.02065356       0.34525500      -0.76745024
O        2.79425000       4.98480000       0.42955000       1.43494625       0.42353018      -1.83533320
O        2.65192000       1.75583000      10.09367000       0.37619575      -0.32002959      -0.79865504
O        0.33981000       3.45380000      19.59152000       0.16313169      -1.86136840      -1.11850104
O        0.10486000       1.53008000      17.14065000       0.22038564       0.58537970      -0.51328326
O        1.62364000       4.56441000      17.04971000       0.67608923      -2.68359291       1.62957030
O       -1.40292000       4.25552000      16.75918000      -0.85021742       0.69964641       2.00675136
O        3.28440000       3.29714000      26.38020000      -0.73905734      -0.13932538       1.20518954
O        1.66910000       0.96812000      26.34828000       0.27946473      -0.52817745       0.86119763
O        4.40109000       0.97016000      26.32625000       0.72794303      -1.25842519       1.74352871
O       -0.25205000       5.00457000       7.40359000       0.15174355      -0.24226305      -0.61366999
O       -1.43628000       2.64282000       7.38211000      -1.51090657       0.00997953      -0.23424021
O        1.06934000       2.66993000       7.21889000       0.58401301      -0.54404976       1.20044784
Zn      -2.76922000       5.08077000      27.11052000      -0.83796655       0.43664768      -0.20475845
Zn       2.80982000       1.70019000       8.05063000      -0.62642208       1.03664669       0.25151092
Zn       0.00365000       3.54240000      17.69629000       1.66527059      -1.36684444       0.17079672
Zn       0.22173000       0.14447000      23.67161000       0.21354556      -1.44655687      -1.37823840
Zn       2.66804000       1.54931000       4.40725000       0.40055235       0.37330221      -0.16312102
Zn      -0.02479000       3.47748000      14.29467000      -0.15841407       0.89163875      -1.17038714
Zn       0.07123000       0.37312000      13.77167000      -0.65992411      -0.88234563      -1.18198642
Zn       3.27504000       1.92743000      22.98445000      -0.17421442      -0.71371292      -1.09709486
Zn      -0.15529000       3.29447000       3.56052000      -0.24064357       0.08762056      -0.00517044
Zn       5.61387000       0.15983000       9.20194000       0.24474240      -1.58499112       0.11265796
Zn       3.21961000       1.34756000      19.09843000      -0.73956322       2.18321514      -1.06263252
Zn      -0.16517000       3.40339000      28.15066000       0.77760721      -0.98808974       0.78049098
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.82257992 magmom=72.0010818 free_energy=-552.82278013 stress="-0.030124537109960055 0.0020131673113476505 0.005856335305476453 0.0020131673113476505 -0.04096603853651739 0.006089714431813535 0.005856335305476453 0.006089714431813535 -0.038299234986565095" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46154000       0.98845000      15.93980000      -1.37607869      -2.07631749      -2.18164367
Cr       4.42362000       0.94353000      16.02125000      -0.12857837      -0.77884218      -2.05132152
Cr       2.89465000       3.38657000      16.01774000       1.98736929       0.23731059      -1.83473277
Cr      -1.29675000       2.50478000      25.29457000       1.95877416       0.49345250      -0.99853986
Cr       1.80929000       2.65947000      25.40955000      -0.42360319      -0.94243609      -0.96618150
Cr       3.08595000       0.03945000      25.20935000       1.22791119      -0.01219978       0.37750982
Cr       1.26510000       4.21737000       6.23339000      -0.67183756       0.19605149       0.64643774
Cr      -1.61833000       4.21578000       6.10811000      -0.39058932      -0.08791177       0.76636088
Cr      -0.20529000       1.71034000       6.20482000       0.23142248      -0.02857971      -0.17139078
Cr      -2.71145000       5.01748000      18.17722000      -1.71750841       0.31886740       4.00797004
Cr       3.02590000       1.58187000      27.68418000      -0.12841007       0.31817121       1.07040379
Cr      -0.35471000       3.40634000       8.66680000       1.30961868       0.76532680      -0.81770435
Cr       2.62919000       5.03756000       3.88609000       2.27584799       0.69030446      -0.95226516
Cr       2.77854000       1.75308000      13.59459000       1.49456154      -0.49567205      -2.64669741
Cr       0.30041000       3.35721000      22.97307000       1.31642463       0.50989736      -1.81854221
Cr       0.27429000       1.59707000      20.59649000       0.49523825       0.12265146       1.54474290
Cr       1.84185000       4.14725000      20.63837000       0.30232138      -2.83397556       1.87029849
Cr      -1.12699000       4.17664000      20.66031000      -0.40867317       0.02194043      -0.73558054
Cr       2.90065000       3.33329000       1.37544000       0.72299495       0.08950633       2.08276608
Cr       1.33334000       0.82403000       1.49600000       0.72188986      -0.02386859       0.20680383
Cr       4.37652000       0.70977000       1.47145000      -0.84104124      -1.72916995       1.42502444
Cr       2.78211000       0.07585000      11.11840000      -1.92222686      -0.80101258      -0.13593369
Cr       4.11750000       2.53505000      11.15269000       1.28260455       1.94118539      -0.20632784
Cr       1.23101000       2.70859000      11.22377000       0.69242221      -0.92414719      -1.30007063
O        1.52152000       0.65187000      19.48258000       0.98442607      -0.59989861      -0.72852063
O        4.91277000       0.48885000      19.56552000      -1.59070904       3.04050916      -1.73633016
O        3.33199000       3.28052000      19.45850000       0.06091546       2.30856586       0.00792139
O        4.35003000       2.17202000       0.39059000       0.09385603       3.50506463      -2.40046452
O        1.62514000       2.41089000       0.31549000      -1.20490787       0.04226231      -2.07099233
O        2.78876000       0.08927000       0.31687000       0.44502295      -0.91459046      -0.74820166
O        1.02683000       4.32004000       9.80368000       0.41316605      -0.85827340       1.21835820
O       -1.55302000       4.25388000      10.01040000      -1.27953350      -0.38278725      -0.51655074
O       -0.13909000       1.94127000       9.90865000      -1.04346080      -0.51806852       1.19650362
O        1.45801000       1.02661000      12.34677000      -1.38929648       0.16942820       0.03578985
O        3.97849000       0.99414000      12.35554000       2.28997022      -0.78095905      -0.63894474
O        2.78012000       3.33493000      12.44898000      -0.65977484       0.29929977      -1.28471327
O       -1.04912000       2.60338000      21.73429000      -0.04381142      -1.21640416       1.05876736
O        1.80912000       2.47076000      21.78485000      -1.47754655       0.53597837      -0.05550370
O        0.37539000       4.84389000      21.78590000      -0.03590416       1.19752181      -0.60699075
O        1.43257000       4.06620000       2.76550000       0.29264856       0.80863778      -2.22793217
O       -1.73521000       4.30029000       2.60459000      -0.20557239      -0.07380683       0.33958520
O       -0.16836000       1.50068000       2.62197000       0.25949986      -0.03289459       0.12605072
O        1.11008000       0.72787000       5.08581000       0.25698948       0.84385321      -0.81190204
O        4.32292000       0.79540000       5.08222000      -0.72150146      -0.04375681      -0.07639854
O        2.70228000       3.62168000       5.15006000       0.39719359      -2.70790864      -1.25859391
O        4.18877000       2.48503000      14.66852000       1.36129141       0.53146453       2.38689862
O        1.67431000       2.64983000      14.75235000      -3.04859184       0.25501541       2.34068674
O        2.94415000       0.15101000      14.77493000      -0.15050384       0.65958389       1.28608698
O        1.65720000       4.17848000      24.23535000       0.27405071       1.29048319      -0.30666606
O       -1.11272000       4.15934000      24.05190000       0.18848857      -0.53006455       1.20205709
O        0.36035000       1.95032000      24.18036000      -0.55958776      -1.56193945       1.61246590
O       -2.56656000       5.08911000      21.64807000      -0.63101062      -0.83731398       0.84074523
O        2.95343000       1.67477000       2.35142000      -1.16010379      -0.69480261       2.00381712
O       -0.29314000       3.47297000      12.16949000       0.57835046      -0.21413650       0.37725069
O        2.78165000       5.09799000       7.14729000      -0.15766746       0.01115910       1.78998336
O        2.83093000       1.57044000      16.97075000       2.13742291       1.98028577       1.73913990
O        0.25318000       3.43778000      26.19311000      -0.90781495       0.27424248       1.57415270
O        2.88429000       5.03099000       0.38316000       0.03314444      -0.11090810       0.28546053
O        2.67827000       1.67301000       9.97556000       0.18628349       1.13015563       2.51739566
O        0.35500000       3.23384000      19.59958000      -0.27071128       1.30460333      -0.12882304
O        0.02896000       1.59820000      17.14778000      -0.30654808      -0.07879534      -0.59804266
O        1.66969000       4.36710000      17.08251000      -0.21186257       0.61421293       0.00059570
O       -1.54564000       4.38857000      16.95495000       1.81496896      -1.40410263      -1.58585336
O        3.42683000       3.31042000      26.54430000      -1.87395807      -1.13222448      -0.13172251
O        1.68677000       0.88200000      26.34370000       0.93742487       0.59039365      -0.11189674
O        4.51492000       0.93070000      26.43976000      -1.84215406       0.06978122      -0.83898308
O       -0.21786000       4.84319000       7.29303000      -0.27232131       1.58480237       0.75445642
O        4.31076000       2.60145000       7.24507000       0.06821261       0.04426916       0.83031610
O        1.06412000       2.63239000       7.41605000       0.65920071      -0.36953307      -0.06302090
Zn      -2.87801000       5.09484000      27.10388000       0.82358860       0.20846410       0.25217915
Zn       2.85876000       1.77958000       8.16887000      -1.22023426      -0.58330473      -2.03225752
Zn       0.10477000       3.46659000      17.70436000      -0.63363624      -0.04207358       0.13064842
Zn       0.35795000       0.13145000      23.67546000      -1.13743864      -0.34631273      -1.11396346
Zn       2.64573000       1.56016000       4.31553000       0.64880100       0.92776484       0.27481990
Zn      -0.00754000       3.46068000      14.13661000      -0.71753893      -0.09518454      -0.60260548
Zn       0.01186000       0.42090000      13.62795000      -0.54049929      -1.00163685      -1.06083220
Zn       3.25615000       1.90849000      22.93278000       0.26582138      -0.67338632      -0.43988568
Zn      -0.16891000       3.40465000       3.65323000      -0.66831504      -0.48911905       0.33139522
Zn       5.55394000       0.12036000       9.21828000       1.29835003      -0.28082500      -0.20375701
Zn       3.18917000       1.44792000      19.16366000       0.63014666      -0.02251432      -0.56903415
Zn      -0.16482000       3.40786000      28.12444000       0.55242718      -0.60080905       1.25446918
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.43964844 magmom=72.0000314 free_energy=-552.43964844 stress="-0.02860036133664197 0.001236264594231183 0.00589877864107203 0.001236264594231183 -0.035391295656085016 0.008734352878656112 0.00589877864107203 0.008734352878656112 -0.04216792609685295" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32747000       0.97967000      15.88797000       1.41561535      -1.81650431       0.06998567
Cr       4.38748000       0.94687000      16.01036000      -1.38259561      -3.62216198      -0.20213332
Cr       2.96235000       3.39125000      15.95873000       0.91252929      -0.12065426      -0.81183651
Cr      -1.23249000       2.52640000      25.27102000      -0.56826651      -2.37131948       1.88555167
Cr       1.83529000       2.60118000      25.39696000      -1.46457890      -0.43159542      -1.82374078
Cr       0.24623000       5.04972000      25.21257000      -0.32300228       0.91988950       0.28585198
Cr       1.30834000       4.16042000       6.35613000      -0.56430939       1.40165713      -0.92357357
Cr      -1.64582000       4.20396000       6.12422000      -0.16411327       0.43754285       0.44465573
Cr      -0.15234000       1.68382000       6.28839000      -0.89278112       0.08704262      -0.80371907
Cr      -2.83434000       4.96638000      18.23627000       1.37417987       2.79315725      -0.87591802
Cr       3.01949000       1.67794000      27.73151000      -0.79466386      -1.16035119       0.17785415
Cr      -0.31045000       3.34588000       8.54927000      -0.06113919       1.91761682       3.22541719
Cr       2.66724000       5.06334000       3.93451000       0.80758656       1.09967590      -1.58108710
Cr       2.80939000       1.68109000      13.53080000       0.59990013       0.80017879       0.27420492
Cr       0.34123000       3.38802000      22.83934000      -0.96512773      -0.52205113       4.04480485
Cr       0.33758000       1.60793000      20.64894000      -1.84764152      -1.87124517      -0.73844039
Cr       1.84764000       4.11441000      20.70601000      -0.46057893       0.73631904      -2.74126657
Cr      -1.17295000       4.21462000      20.73654000       0.84560252      -0.91472393      -1.93269400
Cr       2.90861000       3.25679000       1.43998000      -1.05367632       3.23096278       1.39059694
Cr       1.38832000       0.78985000       1.55927000      -0.44929888       1.24869420      -1.04475361
Cr       4.31170000       0.75494000       1.46691000       2.43731868      -0.75855774      -0.19637426
Cr       2.74320000       0.06024000      11.12157000       0.15792133      -0.04767454      -1.18241386
Cr       4.16286000       2.68163000      11.12165000       0.24268058      -0.01163066       0.48426647
Cr       1.24644000       2.69993000      11.21067000      -0.35283478      -1.35446680      -2.18434203
O        1.58419000       0.57338000      19.47012000       0.07212409       1.69564175       0.65484307
O        4.73925000       0.63145000      19.53060000       1.77289297      -0.39301579       0.94442575
O        3.54192000       3.59872000      19.33427000      -2.09904978      -3.83206906       2.41520504
O        4.28762000       2.59682000       0.34798000      -0.04543493      -2.52515364       0.12555892
O        1.52190000       2.42211000       0.25346000       0.58942912      -0.16266173       0.22245447
O        2.78848000       0.11216000       0.22274000       0.96896588      -0.09866094       1.27838777
O        1.05306000       4.21109000       9.82933000      -0.25015189       0.15252292       0.41484852
O       -1.63530000       4.33163000       9.84960000       0.56059038      -0.74219524       0.36270938
O       -0.25993000       2.03969000      10.05972000      -0.02309707      -1.82037856      -1.74294903
O        1.50331000       1.00088000      12.25060000      -1.82534998      -0.14433576       1.21962872
O        4.15021000       0.93067000      12.31832000       0.36680848       0.22301644      -0.17401696
O        2.67481000       3.24371000      12.24980000       1.33459032       1.57062244       2.03023703
O       -1.07404000       2.48653000      21.77611000      -0.11301172       0.53567553       0.13988878
O        1.60556000       2.52948000      21.76418000       2.25002249      -1.20972163       0.36606370
O        0.40515000       4.87913000      21.71504000      -0.80379871       1.57648120       0.39130450
O        1.46834000       4.15641000       2.58202000      -0.21569945       0.89117712       0.16612485
O       -1.73664000       4.39119000       2.68636000      -0.06165196      -1.53157551       0.86467839
O       -0.11790000       1.60717000       2.75206000      -0.16067021      -0.97158353      -0.77433470
O        1.18607000       0.80118000       5.18293000      -0.56853511      -0.41225379      -0.79808298
O        4.33039000       0.91956000       5.09295000       0.42730831      -1.53179051       0.53729506
O        2.63185000       3.49210000       5.09055000       0.80242471      -0.23648700       0.12574306
O        4.28271000       2.35436000      14.88256000      -0.44554761       2.42271962      -2.46870829
O        1.50012000       2.60571000      14.80372000       0.43783814      -0.12521928      -0.08642532
O        2.74667000       0.13832000      14.80214000       0.97143005       0.42107253      -0.29374187
O        1.76451000       4.21537000      24.18776000      -0.97440218      -0.38215250       0.10778610
O       -1.12307000       4.00648000      24.25187000       0.45043601       2.70264587      -2.61093568
O        0.26546000       1.93007000      24.13817000       0.80385560      -0.73826801       0.67947416
O       -2.69010000       4.93152000      21.74996000       1.00118648       0.98245187      -0.46798329
O        2.99251000       1.59932000       2.49761000      -1.17526678       0.33467127      -1.58677390
O       -0.27783000       3.49345000      12.10505000       0.20692776       0.30143414       0.90257611
O        5.71118000       0.03307000       7.33497000      -0.00521106      -0.71102815      -1.18518564
O        2.89885000       1.69006000      17.05387000      -0.19236169       0.49428456      -0.18419455
O        0.22209000       3.41458000      26.27777000       0.51672577      -0.45153710       0.22729741
O       -2.90946000       5.06200000       0.44645000      -1.49991257      -0.15353228      -0.04336060
O        2.75421000       1.78669000      10.24126000      -0.63872214      -0.15393515      -3.03106730
O        0.33754000       3.21981000      19.64036000       0.17960780       1.11332178       0.28387565
O       -0.09742000       1.63686000      16.99303000       0.74502810      -0.83137698       1.53558621
O        1.71073000       4.23954000      17.11055000      -0.15586111       1.41657233      -0.52102072
O       -1.42714000       4.32119000      16.93608000      -1.64840348       0.47843832       0.04357280
O        3.23811000       3.15853000      26.61286000       0.12354582       2.19228774      -1.88577233
O        1.84882000       0.88232000      26.32365000      -1.39445859      -0.27139557       0.19882038
O        4.32342000       0.87893000      26.43322000       1.87552584       0.39052944       0.13427242
O       -0.22709000       4.90842000       7.27849000       0.10911133       0.23788243       0.71607004
O        4.25093000       2.61598000       7.21922000       0.99539933      -0.35035721       0.87224307
O        1.13758000       2.55924000       7.53103000       0.17035202       0.06625134      -0.93637458
Zn       0.00700000       0.00815000      27.09897000       1.06806380      -0.16924750       0.18829773
Zn       2.83892000       1.82313000       8.20827000      -0.80197275      -1.13112792       0.45863122
Zn       0.16958000       3.38753000      17.71944000      -1.29846138       0.15913112      -0.06345931
Zn       0.43780000       0.08919000      23.62523000      -0.53984686      -0.00820551       0.45665539
Zn       2.65768000       1.62054000       4.24832000       0.12149285       0.44696743       2.93859337
Zn      -0.03075000       3.44910000      13.96374000      -0.57579531       0.44737021       1.48097044
Zn      -0.07727000       0.41201000      13.45360000      -0.33051209      -0.94078838      -0.29421810
Zn       3.25002000       1.85215000      22.87354000       0.17750925      -0.60409445       0.11684322
Zn      -0.21184000       3.48873000       3.75957000       0.20894960      -0.58658423      -0.40644134
Zn       5.56118000       0.05737000       9.23009000       0.45235659       0.66650071       1.36148921
Zn       3.18968000       1.56889000      19.18676000      -0.55294085       1.28129789      -1.50610336
Zn      -0.12824000       3.37937000      28.15711000       1.18690234       0.34996462       0.85780141
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.86483167 magmom=71.9973105 free_energy=-552.86483167 stress="-0.043260873233433715 -0.0016039184610725785 -0.003875994599708492 -0.0016039184610725785 -0.03516585468702403 -0.0073085414916073165 -0.003875994599708492 -0.0073085414916073165 -0.04449396203547449" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.23643000       0.83441000      15.86050000       1.74618530       1.58902212      -0.80066030
Cr       4.29696000       0.78373000      15.98147000      -0.53751480       2.04607610      -1.36896831
Cr       3.08771000       3.43154000      15.89953000      -3.08557542      -0.61485848      -1.19567540
Cr      -1.19546000       2.45742000      25.33530000      -1.23079184       1.81234780      -0.76819394
Cr       1.78696000       2.48259000      25.31200000      -0.69376716       0.00859695      -1.12599721
Cr       0.33844000       5.01482000      25.25415000      -1.71376935       1.34248563       0.81505554
Cr       1.30068000       4.18206000       6.43107000      -0.19084685       0.98559073      -3.20017621
Cr      -1.66953000       4.20746000       6.17926000       0.43515942      -0.01814016       0.51755115
Cr      -0.15299000       1.66027000       6.32287000      -0.46309555      -0.02605145      -0.94042782
Cr      -2.88999000       5.02835000      18.26156000       2.28273278       0.65923351       0.46365133
Cr       2.95829000       1.75366000      27.80535000       0.24843705      -1.37833458      -3.70778000
Cr      -0.24936000       3.39831000       8.61234000       0.10118982      -0.17974333       1.33463189
Cr       5.70853000       0.03821000       3.87964000      -0.83659042      -1.53028165       0.88507564
Cr       2.88694000       1.65376000      13.45518000      -0.89412140       2.13990212       1.25614852
Cr       0.34648000       3.39079000      22.91221000      -0.11552002      -0.29440011       0.49772537
Cr       0.30245000       1.52764000      20.66851000      -0.00121009       2.30053684       1.53527119
Cr       1.83128000       4.11527000      20.64002000      -0.85027835       1.19487487       1.23454051
Cr      -1.16909000       4.20360000      20.70206000       1.17862551      -0.21669484      -0.08602515
Cr       2.87081000       3.34069000       1.54500000      -0.40750534       1.30234329      -0.56517504
Cr       1.40705000       0.80003000       1.55210000      -1.98146171      -1.30441852      -1.50309206
Cr       4.36507000       0.78710000       1.41968000       0.30113781       2.83708496       0.47079820
Cr       2.69370000       0.05419000      11.05776000       1.00954932       1.99937284      -0.11049334
Cr       4.21633000       2.82553000      11.11135000      -1.32719208      -3.46331943       0.09835621
Cr       1.25979000       2.60604000      11.09245000      -0.41964603      -0.50200229       1.17517874
O        1.62664000       0.71153000      19.56223000      -0.41849065      -0.76252623      -1.40665245
O        4.85794000       0.79515000      19.59112000      -1.24217979      -1.44922262      -0.93355307
O        3.35741000       3.46827000      19.54619000      -0.86841898       2.26691997      -0.35523687
O        4.21682000       2.64265000       0.31961000       0.64775247      -1.04685679       0.75044571
O        1.51561000       2.38060000       0.22831000       0.04724668       0.25276265       1.76036875
O        2.94899000       0.10641000       0.36079000      -1.07200831      -0.00386526      -0.92188214
O        0.99978000       4.11151000       9.96947000       1.26379531       1.67877359      -1.40498604
O       -1.58368000       4.23588000       9.79301000      -0.17132004       1.08792635       0.61215326
O       -0.39817000       1.84284000       9.93820000       1.33838943       0.92033172      -0.32948429
O        1.31998000       0.99623000      12.29987000       2.00362601       0.11504132      -0.92619691
O        4.30259000       0.95990000      12.17938000      -2.60304867       0.77448783      -0.45979081
O        2.74620000       3.34331000      12.29903000      -0.19377515      -0.09104451      -0.12919922
O       -1.03837000       2.49973000      21.84223000      -0.07248447       0.48834562      -0.33325943
O        1.66360000       2.46273000      21.78357000       0.45687498       0.53821453       0.02166356
O        0.30309000       5.09555000      21.66711000       0.51363129      -1.58580587       1.14424082
O        1.53843000       4.43009000       2.45701000      -1.43440664      -2.86544207       3.22420239
O       -1.78922000       4.26767000       2.85082000       1.19995660      -0.09419946      -1.43418839
O       -0.08347000       1.48380000       2.71166000       0.11413128       2.13077350      -0.70207035
O        1.11763000       0.77852000       5.15001000       1.03516210      -0.22829741      -0.21331531
O        4.44261000       0.73413000       5.21731000      -1.63318423       0.09773229      -0.49347830
O        2.74501000       3.38749000       5.08779000      -0.15833351       2.00973967       1.11311638
O        4.28322000       2.51068000      14.77037000       0.11578150      -1.22688693      -1.39667497
O        1.37714000       2.52383000      14.92239000       0.92442219       0.67519992      -1.62291545
O        2.74656000       0.27400000      14.79047000       1.10648194      -1.76415632      -0.81053978
O        1.65629000       4.17338000      24.16668000       1.21192150      -0.28391444      -0.26168575
O       -0.96887000       4.15295000      24.11921000      -0.34260696      -0.88991496       0.51060580
O        0.27742000       1.78417000      24.29275000      -0.00441625       0.30512639      -1.22450686
O       -2.65233000       4.92899000      21.67862000      -0.09244862       0.74339380       0.50219175
O        2.79981000       1.59405000       2.39003000       2.00257126       1.03134265       2.44683765
O       -0.19322000       3.55516000      12.06480000       0.04005595      -0.26910216      -0.21610126
O        2.73121000       5.06534000       7.31447000       0.91008833      -0.14280654       0.80005248
O        3.00924000       1.91643000      17.03465000      -0.43015371      -1.85751069       0.23336618
O        0.26988000       3.32176000      26.33757000       0.01363613       0.25821273      -0.00047436
O        2.86696000       5.06706000       0.57591000       1.25201023      -0.32327015      -2.54163986
O        2.75528000       1.88485000      10.09593000      -0.06010328      -0.97647459       0.57730944
O        0.33221000       3.39279000      19.73468000      -0.52570731      -1.32274653      -2.09617414
O       -0.12993000       1.48737000      17.03283000       0.22745586       0.37467535       1.02710982
O        1.69540000       4.36451000      17.01919000      -0.84585063      -1.36960697       0.85569438
O       -1.52547000       4.32617000      16.87579000       0.95833832       0.13618236       2.06163832
O        3.08993000       3.30820000      26.36710000       1.51412425      -0.34731781       1.32946594
O        1.81767000       0.83742000      26.33569000      -0.34911063      -0.27868210       1.09036261
O        4.36680000       0.95542000      26.43758000       0.86538025      -0.11966914       1.60316246
O       -0.22491000       4.98178000       7.39481000       0.20419468      -0.02206409       0.18293382
O       -1.46866000       2.62598000       7.35113000      -1.49348982      -0.28724493       0.20175365
O        1.16417000       2.56311000       7.45047000       0.06003873       0.06185568       0.73257134
Zn       0.00769000       0.02231000      27.09957000       1.18747373      -0.17643213       0.22000453
Zn       2.77522000       1.80549000       8.25271000       0.43708602      -0.66128087      -1.79316263
Zn       0.16619000       3.31627000      17.73825000      -0.52347040       0.17227479      -0.19806053
Zn       0.48011000       0.04214000      23.58854000      -1.14122161      -0.48896296       0.04747297
Zn       2.68765000       1.69879000       4.31560000       0.53282306      -1.11369156       0.62081700
Zn      -0.08390000       3.45244000      13.87594000       0.40174485       0.03208213       3.17196096
Zn      -0.18640000       0.34001000      13.27257000       0.16553184      -1.56413211       1.46981944
Zn       3.25444000       1.75410000      22.82790000       0.21967756      -0.51844278       0.09464974
Zn      -0.25266000       3.54182000       3.86216000       0.48725482      -0.70142789      -0.34524619
Zn       5.59856000       0.02745000       9.30261000      -0.32879381      -0.07367247       0.24634415
Zn       3.16976000       1.75268000      19.13611000       0.04482638      -2.47096419      -1.27482051
Zn      -0.03264000       3.36606000      28.24277000      -0.05259264       0.53701772       0.26166107
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.24264036 magmom=72.0049985 free_energy=-552.24264036 stress="-0.03524289207378753 0.0006534256688112571 -0.0028719834319529724 0.0006534256688112571 -0.04127253322232475 0.0023447745093947135 -0.0028719834319529724 0.0023447745093947135 -0.044958256439938185" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.24206000       0.74827000      15.82052000       1.79532109       2.26439523      -0.43312576
Cr       4.18355000       0.69100000      15.90518000       2.49547863       1.70240585       0.66144417
Cr       3.07474000       3.44735000      15.82595000      -2.09817593      -0.86586076       0.28007500
Cr      -1.23127000       2.46250000      25.39474000       0.29198346       1.75476051      -1.44745092
Cr       1.72811000       2.35263000      25.21624000       1.57705079       1.48037427       1.32448138
Cr       0.34223000       5.05774000      25.35309000       0.07364295       0.11048071       0.57198437
Cr       1.27341000       4.24960000       6.34608000       0.11663864      -1.32120405       0.56475268
Cr      -1.64432000       4.21051000       6.28636000       1.66364910       0.11919183       1.31590158
Cr      -0.19119000       1.63979000       6.30888000       0.11056657       0.10076021       0.39942051
Cr       0.12084000       0.01279000      18.30525000       0.55772913      -2.24549849       0.69825586
Cr       2.90535000       1.76533000      27.75105000       1.23532820      -0.53993373      -0.10619404
Cr      -0.18396000       3.45522000       8.75638000       0.02027878      -0.28896828      -2.78390869
Cr       5.76261000       0.06084000       3.84952000      -0.65068486      -0.85184039       0.81479153
Cr       2.90348000       1.75321000      13.43812000      -3.64211450       0.29314644      -0.63023667
Cr       0.34981000       3.36150000      23.02135000       1.00019651      -0.67072918      -2.15638754
Cr       0.26045000       1.56382000      20.73433000       1.25202328       2.57510993      -0.90952508
Cr       1.73590000       4.21239000      20.59974000      -2.10014291       0.31330756       3.86798397
Cr      -1.10657000       4.18690000      20.64160000      -1.71688540       1.13412012       0.32373605
Cr       2.79758000       3.48444000       1.60336000      -0.18318336      -2.51693996      -0.46109564
Cr       1.35808000       0.76868000       1.46715000       2.09898896      -0.28599617       1.23563075
Cr       4.42857000       0.93654000       1.39000000      -1.26207962      -1.69096933       2.68364640
Cr       2.71320000       0.15146000      10.97600000       1.07629224      -1.50712157       0.95028195
Cr       4.19602000       2.78439000      11.10575000       0.16403076      -0.91569615      -1.01491616
Cr       1.24488000       2.49799000      11.00946000      -0.97872919       2.71912506       1.05927528
O        1.56263000       0.74113000      19.47103000       0.37154438      -0.28299792      -0.16023608
O        4.81941000       0.71693000      19.55497000      -1.88283767       1.50931926       0.23032501
O        3.10965000       3.56463000      19.70361000       3.35207341      -0.93013950      -3.29206733
O        4.24342000       2.48238000       0.40458000       0.00046486       2.21826713      -1.32989009
O        1.55797000       2.37408000       0.46699000      -0.25592335       1.12311204      -1.66828473
O        2.95190000       0.11278000       0.38273000      -0.57304549       0.39396718      -1.01014297
O        1.13836000       4.25108000       9.93241000      -0.26983848      -0.66856978       0.35027476
O       -1.50692000       4.27674000       9.90576000      -1.25621230       0.66826600      -0.26241084
O       -0.27205000       1.85719000       9.76807000       0.48603148       0.17947293       2.39408197
O        1.46764000       1.01941000      12.22291000      -1.42203679      -0.62043132       0.53436403
O        3.98747000       1.13246000      12.00730000       2.90875588      -1.61345726       1.85677355
O        2.82354000       3.41145000      12.34718000      -0.96562061       0.25866303      -0.83437551
O       -0.97179000       2.63827000      21.82890000      -1.27193670      -1.19082077       0.01384605
O        1.77510000       2.52184000      21.78820000      -1.15001625       0.18954628      -0.11201330
O        0.26229000       4.95296000      21.82098000       0.85912036      -0.04152520      -0.37179335
O        1.42291000       4.37448000       2.78255000       0.01416373      -0.13488970      -1.09233760
O       -1.73094000       4.17825000       2.74206000       0.31236039       1.65887078      -0.03424248
O       -0.02642000       1.57023000       2.54523000      -0.33482556       0.01203964       0.92790983
O        1.17251000       0.69839000       5.11116000       0.82865524       1.28697237       0.63134601
O        4.34977000       0.59936000       5.22924000      -0.24296342       3.12607861      -1.54237127
O        2.82236000       3.63306000       5.26411000      -1.19303129      -2.10835780      -2.07643309
O        4.20127000       2.53678000      14.44302000       1.50924860       0.18981446       2.98150653
O        1.47786000       2.47616000      14.77974000       0.27916126       0.12726368      -0.20113802
O        2.92122000       0.16296000      14.63489000      -1.44901485      -0.45784214       0.05724703
O        1.67918000       4.07318000      24.17391000       1.05681244       0.88703359       0.77948908
O       -0.87819000       4.22507000      24.10432000      -1.67971986      -0.42600407       1.91258619
O        0.24117000       1.73763000      24.24339000      -0.81162118      -0.29808527      -0.61486892
O       -2.59848000       5.05554000      21.62756000      -0.55871740      -1.04515071       1.22175054
O        2.87486000       1.73093000       2.49155000      -0.10376212      -0.56027909       0.75277059
O       -0.12116000       3.56256000      11.96039000      -0.46027770      -0.71071950       1.36438214
O        2.82735000       4.97153000       7.32878000      -0.52772695       1.26793335       0.95267157
O        3.05413000       1.85723000      16.94193000      -0.76151264      -0.82034879       0.01045321
O        0.32791000       3.27606000      26.30117000      -0.29545975       0.52869867       0.98893568
O        2.86807000       5.03831000       0.35612000       0.05856798       0.24790437       1.66137440
O        2.71241000       1.81252000      10.06936000       0.69562506       0.85733638      -0.97351861
O        0.26844000       3.35656000      19.57104000       0.32151406      -0.59645031       1.27184255
O       -0.08627000       1.43164000      17.17144000      -0.22342222       1.08569770      -2.85000661
O        1.56262000       4.31760000      17.03650000       1.26814186      -0.29465897      -0.20873935
O       -1.53301000       4.34020000      17.05916000       0.11697304      -0.66632785      -1.09574184
O        3.18569000       3.37208000      26.24830000      -0.70628597      -1.65821430       1.12378060
O        1.74664000       0.77058000      26.47747000       1.25179753       0.73205997      -0.89192161
O        4.52750000       1.07795000      26.65413000      -2.12692351      -0.73062895      -0.66746910
O       -0.16694000       4.97487000       7.52148000      -0.17537795       0.34284604      -0.74896836
O       -1.46158000       2.60732000       7.50848000      -0.82251167      -0.08435980      -0.81613146
O        1.12896000       2.62845000       7.42819000       0.17796892      -0.43228899       0.31580624
Zn       0.08060000       0.02032000      27.11759000       0.90509907      -0.90122694      -0.68442578
Zn       2.72611000       1.74707000       8.19850000       0.31348163      -0.08476598      -1.69687013
Zn       0.12677000       3.25053000      17.74155000      -0.57213313       0.35862834      -1.21716789
Zn      -2.48349000       5.07384000      23.55736000      -1.06927514      -0.61829323      -0.00264240
Zn       2.74781000       1.74063000       4.45878000       0.35957549       0.06848063       0.19670460
Zn      -0.11728000       3.46313000      13.93472000       1.05062976      -0.39243114      -0.08118017
Zn       5.60623000       0.18668000      13.13917000       0.53787016      -0.35397854      -0.13105568
Zn       3.27180000       1.62187000      22.79547000       0.08241621       0.24032420       0.00558107
Zn      -0.26669000       3.56047000       3.96358000       0.73527845      -0.39178019      -0.73790093
Zn       2.67457000       5.09853000       9.39544000       1.04251881       0.26395262      -1.18181942
Zn       3.14168000       1.84822000      19.00278000       0.07049095      -1.63993541      -0.59927030
Zn       0.07448000       3.37902000      28.35600000      -0.70151437       0.06599050      -0.15718897
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.56933855 magmom=72.000875 free_energy=-552.56933976 stress="-0.034923345094164046 0.0054636417648068585 -0.002116203186329755 0.0054636417648068585 -0.04097190647259756 0.0023305537738626827 -0.002116203186329755 0.0023305537738626827 -0.03838213032299417" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34388000       0.78472000      15.78329000       1.25762674      -0.28099744      -0.57783660
Cr       4.21705000       0.68660000      15.85389000       2.98762570       0.63401457      -0.92954343
Cr       2.93005000       3.41334000      15.79290000       0.76391084      -0.29427166       0.52756655
Cr      -1.25612000       2.55645000      25.39434000       1.08408474      -1.03645711      -0.15712923
Cr       1.76677000       2.31617000      25.23909000      -0.98967783       1.94269356      -0.52815915
Cr       0.33552000       5.10922000      25.49829000       0.75153469      -2.28263808      -1.85361788
Cr       1.25095000       4.26914000       6.26018000       1.04965638       0.09522823       0.24753265
Cr      -1.55801000       4.21953000       6.44464000      -2.26896162       0.93898263      -2.34570311
Cr      -0.22233000       1.64050000       6.31826000       0.69036013       0.63858974       0.24670414
Cr       0.19144000       0.01019000      18.35327000      -2.27893181       0.61709425      -3.63231437
Cr       2.93364000       1.73775000      27.68686000       0.80623855       1.48029422       2.90088044
Cr      -0.13105000       3.48542000       8.75357000      -1.35069047      -0.79417638      -0.70637779
Cr       5.77248000       0.03409000       3.86873000       0.41571662       0.85741509       0.36046589
Cr       2.76078000       1.87525000      13.39707000       2.18758037      -2.64110755      -1.24918616
Cr       0.39156000       3.29467000      23.03146000      -1.61762081       0.41860651       1.94119715
Cr       0.29101000       1.71923000      20.75013000      -0.65833241      -2.55130059      -1.31138173
Cr       1.60561000       4.32412000      20.69641000       3.69484329      -0.97322024      -1.96439975
Cr      -1.14829000       4.22654000      20.59631000      -1.38938629       0.14804426       1.07033753
Cr       2.73013000       3.48107000       1.62347000       1.55786880      -1.20024706       0.34797502
Cr       1.41212000       0.74919000       1.42487000       0.83258184       2.16319409       1.31045267
Cr       4.39962000       1.04106000       1.47801000      -0.95034481      -1.00157545       0.29554175
Cr       2.79975000       0.17322000      10.96816000      -0.45223320      -1.18706267       2.33636562
Cr       4.17922000       2.67757000      11.06179000       1.55232244       1.03826011       0.18959870
Cr       1.20306000       2.54133000      11.02506000       3.09169883       2.22578124       2.65135735
O        1.58152000       0.71826000      19.38289000       0.41865147       1.14139249       1.67798433
O        4.47364000       0.79802000      19.54241000       2.99552362      -0.75400890       0.64812498
O        3.31773000       3.64975000      19.45064000      -1.38604697      -1.45261948       1.21430920
O        4.27858000       2.62879000       0.34477000      -0.83988045      -0.35713839       0.16728491
O        1.58163000       2.49276000       0.46912000       0.44468757      -1.09245564      -1.16546458
O        2.83931000       0.19919000       0.21884000       0.98644787      -0.46083960       1.05077188
O        1.14848000       4.27029000       9.92951000       0.22427250      -0.06114379      -0.17538770
O       -1.54712000       4.38569000       9.98699000       1.12506504      -1.45278391      -0.81425889
O       -0.10707000       1.98301000       9.96827000      -3.20886216      -2.17284925      -2.14799752
O        1.45443000       0.99269000      12.16001000      -0.81447283      -0.13988710       0.45738148
O        4.08141000       1.06649000      12.15097000       0.75107016      -0.34571962      -0.09854671
O        2.75421000       3.41111000      12.18696000      -0.52467543      -0.38244144      -0.35723348
O       -1.05948000       2.62033000      21.80268000      -0.62285805      -0.18284911       0.58676969
O        1.64187000       2.64675000      21.75231000       1.45891398      -1.13359991       0.28545985
O        0.32393000       4.78115000      21.91003000      -1.66024835       3.05813125      -0.03475668
O        1.38445000       4.26991000       2.93926000       0.27850427       0.54418391      -1.66412977
O       -1.69213000       4.39243000       2.59766000      -0.07480187      -1.16852145       2.04370179
O       -0.02713000       1.59832000       2.52042000      -0.02579386      -0.19277407       1.58318272
O        1.28825000       0.77923000       5.22258000      -1.19333680      -0.30338717       0.33685575
O        4.31209000       0.86944000       5.08294000       2.46091869      -1.77485472       1.52577901
O        2.75405000       3.62492000       5.18553000       0.65772247       0.23799748       0.58834530
O        4.22798000       2.51036000      14.59867000      -0.35744652      -0.75044010       0.58129733
O        1.60450000       2.44800000      14.64153000      -2.91551413       1.41166655       1.98150462
O        2.88052000       0.10155000      14.57808000      -0.68181402       1.30039348       0.54627561
O        1.79720000       4.07367000      24.30634000      -1.29031249      -0.01369587      -0.32382055
O       -0.99693000       4.16250000      24.41789000       0.11946009       0.38761573      -2.05048997
O        0.10160000       1.72769000      24.11988000       1.06698232      -0.29829655       1.28040797
O       -2.65628000       5.07246000      21.66663000      -0.11596512       0.07660992      -0.79915860
O        2.98660000       1.81091000       2.66656000      -0.62958530      -0.51471160      -1.48030146
O       -0.16148000       3.44255000      12.03435000      -0.52071205       0.81778970       0.43427582
O        2.85636000       5.09300000       7.42787000      -0.83839846       0.04817056      -0.74626702
O        2.94411000       1.65431000      16.81072000      -1.34736018       0.65703393       0.85797415
O        0.31601000       3.32246000      26.36934000       0.02379303      -0.39631678       0.65110723
O        2.90132000       5.06091000       0.44418000      -1.00655489       0.60443093      -0.48917734
O        2.75928000       1.87333000      10.00146000      -0.12176974      -0.41959898      -1.06353647
O        0.25969000       3.23430000      19.65490000       0.16450580       1.75307030      -1.15490453
O       -0.05831000       1.48152000      16.86469000      -0.60887003      -0.46162958       0.88674335
O        1.65674000       4.22601000      17.00314000      -0.44385082       0.45129503       0.57201240
O       -1.51071000       4.26488000      17.03818000      -0.82287357       0.44500953      -0.86964310
O        3.14247000       3.14430000      26.35772000      -0.88719675       1.83437920       0.83142796
O        1.84064000       0.80273000      26.42771000      -1.70408752      -0.29878311       0.07936326
O        4.37554000       1.06099000      26.67893000       2.41324826      -1.40350250      -0.99190529
O       -0.12603000       4.95079000       7.47658000       0.09108411       0.62325089      -0.07834246
O        4.34646000       2.60851000       7.48782000       0.57029594      -0.27554073       0.13947272
O        1.08154000       2.65253000       7.44182000       0.58224020      -0.07622144      -0.38239441
Zn      -2.75289000       5.08762000      27.10602000      -0.67347326      -0.43707411       0.06351032
Zn       2.69436000       1.68488000       8.04678000       0.04117924       0.56335645       0.14884556
Zn       0.05998000       3.21239000      17.68647000       0.08588446       0.76829917      -0.41718396
Zn      -2.54933000       4.96678000      23.53550000      -0.05378642      -0.06978200       0.84675238
Zn       2.81604000       1.78888000       4.60615000      -1.29941338       0.68684152      -1.05194315
Zn      -0.09901000       3.44194000      14.00321000       0.20488518      -1.02275369      -0.35963521
Zn       5.52624000       0.01918000      13.02888000       0.87084336       0.73550210       0.85169983
Zn       3.29428000       1.50628000      22.77636000       0.06205841       0.78159208       0.34576674
Zn      -0.24320000       3.55655000       4.03416000       0.35879657      -0.08678880      -1.43081342
Zn       2.75077000       5.07573000       9.42606000      -0.25980285       1.35294215      -0.69178317
Zn       3.11497000       1.83972000      18.82441000      -0.68436815      -0.01792424      -0.81885079
Zn       0.13684000       3.40232000      28.45536000      -1.61037289       0.73483498      -0.77678812
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.05040956 magmom=72.0011677 free_energy=-552.05041073 stress="-0.0426923443532999 0.0037198276910470323 -0.0033139490185225906 0.0037198276910470323 -0.046599712060908884 -0.005306679706607288 -0.0033139490185225906 -0.005306679706607288 -0.036499927087189715" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46699000       0.80662000      15.75289000      -4.09819620      -0.90649089      -0.53888867
Cr       4.39658000       0.71608000      15.77661000      -1.96663944      -0.42331954      -1.06085710
Cr       2.82700000       3.36344000      15.80840000       1.14876540       0.32219503       0.24332004
Cr      -1.23411000       2.57512000      25.41087000      -0.45630379      -1.78092418       0.85321766
Cr       1.77860000       2.39215000      25.29875000      -1.19284715       0.20488724       0.06994007
Cr       0.34056000       5.04531000      25.56459000      -0.77407039      -0.94759475      -2.29104138
Cr       1.28258000       4.27983000       6.20326000       0.41599905       0.31251666       0.78350719
Cr      -1.59611000       4.27841000       6.46680000      -1.97938186       0.50059665      -2.33473212
Cr      -0.19964000       1.70169000       6.35640000       1.31345710       1.49854902       0.28586636
Cr       0.14977000       0.02347000      18.25711000      -0.56551362       0.08784999      -0.78209297
Cr       3.02652000       1.74221000      27.74302000       0.71307678      -0.54160985      -1.30392285
Cr      -0.14794000       3.46182000       8.68704000      -0.16236168      -1.34995481       0.22084146
Cr       5.79859000       0.04729000       3.90441000       0.50722131       0.12474638       0.25326408
Cr       2.69161000       1.84875000      13.33345000       1.46201983      -1.47604522       2.62969794
Cr       0.34545000       3.26966000      23.10269000      -1.86921339       1.41849339      -1.60520487
Cr       0.27907000       1.73663000      20.66683000      -1.08409501       0.48295225       0.35988792
Cr       1.67444000       4.37329000      20.69269000      -0.95532323      -2.39252691      -0.17280884
Cr      -1.28323000       4.27323000      20.60346000       1.68495150      -1.08226495       1.25116204
Cr       2.75142000       3.41516000       1.63808000       1.67120295       2.52056251      -1.47190370
Cr       1.49871000       0.83366000       1.45811000      -2.42845113      -0.00208237       1.63668633
Cr       4.33366000       1.07855000       1.56673000       2.41548465      -2.42732970      -0.87537314
Cr       2.84807000       0.10831000      11.08985000      -1.47867417       0.27532204      -0.36947324
Cr       4.23908000       2.63081000      11.01782000      -0.51646775      -0.31918083       0.05792564
Cr       1.25096000       2.67639000      11.13486000      -2.71640446      -2.86153530      -3.74106204
O        1.62074000       0.84031000      19.55071000      -0.81158946      -0.48891683      -1.45020076
O        4.65989000       0.81210000      19.60593000       0.93514808       0.87713451      -1.92934028
O        3.31894000       3.55091000      19.35087000      -1.06067069       0.77758947       0.51277519
O        4.17664000       2.72361000       0.33435000       1.17022709      -0.68959469       1.14804243
O        1.69467000       2.44561000       0.28234000      -1.65505474       0.22774129       1.15671503
O        2.88955000       0.21294000       0.27811000       0.78249961      -0.49398371       1.10809418
O        1.10372000       4.22145000       9.93793000       1.49971347       0.62743537      -0.05792898
O       -1.39251000       4.23713000       9.93619000      -1.40851400       0.97677719      -0.20331331
O       -0.32216000       1.84211000       9.96237000       1.87634613       0.70900318      -0.65933379
O        1.34482000       0.99133000      12.16470000       0.67488405      -0.08051178       0.16864179
O        4.21985000       1.00382000      12.25122000      -2.19810422       0.98731229      -0.96284733
O        2.66098000       3.30498000      12.00568000       2.53108413       1.67377939       2.46238159
O       -1.16652000       2.58728000      21.84796000       0.80000653       0.42895973      -0.15550659
O        1.62841000       2.60824000      21.77890000       0.41492809       0.21361402       0.36276976
O        0.18728000       4.96456000      21.89387000       0.21570491      -1.73648754      -0.85651860
O        1.48650000       4.29649000       2.76683000      -1.20946949       0.79618440       0.43020644
O       -1.69814000       4.46794000       2.77341000       1.10909459      -1.64834077      -0.26135571
O       -0.08384000       1.53140000       2.73906000       0.43546845       2.04224193      -0.29996644
O        1.20312000       0.81205000       5.38572000       1.59790903       0.23943854      -1.48359506
O        4.59360000       0.85106000       5.17057000      -3.88764885      -0.27181645      -0.78272441
O        2.78519000       3.65735000       5.20161000       0.94385699      -0.69404553       0.39144727
O        4.19949000       2.38243000      14.86569000       0.23246938       1.15201837      -2.93567872
O        1.39834000       2.56909000      14.75132000       1.32246027      -1.06749869      -0.76418227
O        2.76691000       0.29057000      14.60205000       1.88936144      -2.00686867      -1.91447441
O        1.64240000       4.06713000      24.36845000       0.53462526       0.82481066      -0.93235488
O       -1.04101000       4.14858000      24.37146000       0.32687077       0.27316021      -0.93433507
O        0.17395000       1.73964000      24.24943000       0.45261206      -0.66981750       0.10387886
O       -2.73582000       5.10050000      21.57151000       0.57976115       0.36535421       2.01336953
O        2.94405000       1.77864000       2.55871000      -1.67586612      -0.45656428       2.22223540
O       -0.26501000       3.45721000      12.13463000       0.65234424       0.77589274       0.02363856
O        5.69665000       0.09761000       7.38022000       0.14790818      -1.48713353       0.91240554
O        2.71829000       1.58215000      16.78417000       2.54320627       1.21930284       1.45509546
O        0.27666000       3.31608000      26.48169000      -0.27739355      -0.20091217       0.14072543
O        5.75283000       0.07812000       0.59708000       0.76324319      -0.28952783      -1.13832599
O        2.80126000       1.88668000       9.83561000      -0.64482287      -0.92220756       1.88448085
O        0.26776000       3.42611000      19.65681000      -0.54126287       0.01118276      -1.39082247
O       -0.09935000       1.44603000      16.69986000       1.30201729       1.11986560       3.11335093
O        1.68842000       4.27591000      17.01742000      -1.46927319       0.25242527       0.71002558
O       -1.64347000       4.27378000      16.82823000       0.92066542      -0.15928880       0.78113458
O        2.99299000       3.21819000      26.53693000       1.76622468      -0.15723813      -0.86678371
O        1.72917000       0.79886000      26.34634000       1.60905380       0.34901544       1.40854446
O        4.57446000       0.88041000      26.54531000      -0.57871877       1.49873152       0.78927264
O       -0.08992000       4.95887000       7.38840000      -0.11455905       0.19101767       0.72327871
O        4.38540000       2.61958000       7.43778000      -0.56091746       0.19328376       0.52256666
O        1.10239000       2.69825000       7.38911000       0.92668731       0.00426068       0.23216656
Zn      -2.67774000       5.02323000      27.09048000      -1.05142205       0.19103366       1.33070306
Zn       2.66991000       1.65779000       7.90296000       0.46033418       0.99844965       0.68145519
Zn      -0.00550000       3.21756000      17.60525000       0.08388177       0.86217634       0.25812924
Zn      -2.62258000       4.86387000      23.55171000      -0.35642800       0.69978746       0.13297685
Zn       2.83536000       1.84768000       4.69982000      -0.05874357      -1.32311393      -1.03434036
Zn      -0.08013000       3.37823000      14.05560000      -2.07653356       0.87269691       0.26261089
Zn       2.56471000       4.99580000      12.98823000       1.61138811       0.45409885       1.75084098
Zn       3.31508000       1.45057000      22.78899000      -0.17621966       2.14354109       0.93113581
Zn      -0.20033000       3.54634000       4.03987000       0.16336151      -0.09861553      -1.55442585
Zn       5.77954000       0.01148000       9.40719000      -0.30295375      -0.14569300      -0.37585326
Zn       3.06955000       1.81054000      18.63081000       0.40939737      -0.83297294       1.44766464
Zn       0.11733000       3.45422000      28.50920000      -0.65681414      -0.34597902      -0.72650762
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.81344835 magmom=71.9956148 free_energy=-552.81344835 stress="-0.03251094996255234 -0.0008797475332627198 -0.005019478130934414 -0.0008797475332627198 -0.044954535526823734 -0.002086849687227692 -0.005019478130934414 -0.002086849687227692 -0.03280592470120757" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40956000       0.77333000      15.72628000      -0.02463390       0.30205148      -0.31162129
Cr       4.50700000       0.75053000      15.66108000      -1.98506568       0.45385899       0.71742652
Cr       2.80231000       3.34372000      15.85227000       0.27029023       0.86072589      -0.57893203
Cr      -1.23671000       2.46830000      25.49788000       0.79356482       1.01345537      -3.12897003
Cr       1.74374000       2.48253000      25.40391000      -0.39546811      -0.34387501      -0.62675510
Cr       0.29844000       4.95823000      25.53506000      -0.40601789       1.63568058      -1.64900583
Cr       1.32570000       4.29594000       6.20122000      -1.02492127       0.00323718       0.96354448
Cr      -1.72166000       4.36589000       6.36487000       3.25575278      -0.15882124       1.80652399
Cr      -0.11751000       1.82699000       6.39207000      -1.20839692      -1.70851297      -2.13645753
Cr       0.08057000       0.03461000      18.13698000       1.48994931      -1.73678575       1.67112547
Cr       3.16328000       1.69775000      27.74489000      -0.74200369      -0.18927571       1.58963795
Cr      -0.16926000       3.37738000       8.64309000       1.22018621       2.20734305       0.83426045
Cr       5.84571000       0.08424000       3.94329000      -0.54592648       0.28614168       0.07462579
Cr       2.72099000       1.73404000      13.40083000       0.11697682       1.80264136       0.08908834
Cr       0.20126000       3.31308000      23.07379000       1.88672737      -0.52956709      -1.78151624
Cr       0.21798000       1.75475000      20.59252000       1.22608598       1.72174025       1.52177349
Cr       1.72830000       4.30361000      20.63239000      -1.65742958      -0.48773207      -0.08673056
Cr      -1.34582000       4.27293000      20.65294000       1.05236688      -0.08451834      -1.03016532
Cr       2.86131000       3.47652000       1.59079000      -0.27610740       0.23001486       0.57472533
Cr       1.45045000       0.92103000       1.57420000      -1.22174720      -0.96637659       0.60019417
Cr       4.37601000       0.99627000       1.60577000       0.77105603       0.51918119       1.93513801
Cr       2.79363000       0.05740000      11.17865000      -1.32372224       0.73257713      -3.35694104
Cr       4.27206000       2.58457000      10.98063000      -1.58916451       0.83724420       0.56478160
Cr       1.22553000       2.67593000      11.07898000       1.59971731      -1.51495719      -0.17708911
O        1.52194000       0.85412000      19.50534000       0.65410957      -0.70873046      -1.28907817
O        4.97676000       0.89777000      19.39467000      -4.06755667       0.02326941       0.61035169
O        3.11093000       3.57904000      19.39623000       0.30676477      -0.20747696      -0.03639356
O        4.25151000       2.65322000       0.50947000       0.68215564      -0.28248536      -0.82316061
O        1.63648000       2.40110000       0.28994000       0.48764044       0.69629031       0.44039768
O        3.03890000       0.17779000       0.56747000      -1.34445855       0.34724437      -1.86143321
O        1.25477000       4.24237000       9.95077000      -0.95957158       0.00225779      -0.14462764
O       -1.41388000       4.19119000       9.86380000      -0.58960265       0.50216795       0.29313207
O       -0.26013000       1.87508000       9.83132000       1.25722096       0.08174847       0.83854897
O        1.38592000       1.01618000      12.19874000      -1.30094164      -0.39902167       0.27170043
O        3.96327000       1.11866000      12.16010000       3.27404758      -1.76233171       1.03085328
O        2.84810000       3.32991000      12.15751000      -1.20069112      -0.73155025      -0.38829056
O       -1.09688000       2.64208000      21.85722000      -1.32133111      -0.96735820      -0.85705982
O        1.62292000       2.61883000      21.86744000      -0.00034969       0.25849834      -0.79343061
O        0.11296000       4.87037000      21.73855000       1.53494661       1.09608850       1.29481753
O        1.52030000       4.48706000       2.62340000       0.23976127      -1.03088630       1.67439213
O       -1.61719000       4.27719000       2.91245000      -0.90696235       1.01343637      -1.38784451
O       -0.09528000       1.71481000       2.89481000       0.49512286      -0.29728052      -1.10024013
O        1.28650000       0.87547000       5.30812000      -1.08512969       0.15560646      -0.21136734
O        4.36232000       0.77344000       5.18825000       1.27856951       1.21064852      -0.29410157
O        2.92599000       3.64119000       5.28156000      -1.90853845      -0.53568310      -2.07185485
O        4.15867000       2.40840000      14.65072000      -0.02266424       0.40063040       0.03477421
O        1.43625000       2.48802000      14.78127000      -0.41426900      -0.06063952      -0.76005433
O        2.89017000       0.17416000      14.44097000       0.01315435      -1.04886295       2.16627179
O        1.51797000       4.14380000      24.28678000       1.22341933      -0.41950448       0.41537620
O       -1.00355000       4.18189000      24.17633000      -1.58124235       0.01499723       2.72933818
O        0.31857000       1.73148000      24.41295000      -1.25507850      -0.24546764      -1.12433017
O        0.20222000       0.06949000      21.71702000      -0.39655378      -0.18143573      -0.74994708
O        2.70538000       1.71275000       2.68939000       2.09472344       1.42299547       0.28196551
O       -0.23496000       3.57338000      12.15750000       0.47481491      -2.04746702       0.11251948
O        5.63268000       0.00887000       7.38453000       0.79500664       0.96167156      -0.10457996
O        2.83205000       1.66588000      16.75796000       0.61196486      -0.97840596      -1.29886763
O        0.18396000       3.29292000      26.53182000       0.57532599       0.33627177       0.38534709
O        5.81211000       0.15295000       0.55048000       0.91877476      -0.94197287      -0.58227106
O        2.72394000       1.71762000      10.04816000      -0.18381156       0.50362900      -1.10344660
O        0.17195000       3.66401000      19.45131000      -0.03769969      -1.52297380       1.13398055
O       -0.02547000       1.51529000      16.98705000       0.01724380      -0.40130451      -2.62804089
O        1.50063000       4.39879000      17.09318000       1.02783288      -0.21057956      -2.00455056
O       -1.65898000       4.26949000      16.73235000       0.58782862      -0.51160392       1.01528944
O        3.14596000       3.24521000      26.48881000       0.68261661      -0.76818449       0.43874170
O        1.87968000       0.85753000      26.49257000       0.22168326      -0.34698060       0.77662926
O        4.67544000       0.92830000      26.50429000      -1.72723925      -1.41924953       1.66221146
O       -0.10316000       4.92858000       7.39596000      -0.60750034       0.46696572      -0.03489770
O       -1.51214000       2.68837000       7.43142000      -0.74742486      -0.25354594      -0.27616806
O        1.23105000       2.76128000       7.35734000      -0.35213833      -0.60517495       0.62800897
Zn      -2.65315000       4.98077000      27.15192000      -0.12035690       1.39300275       0.99857904
Zn       2.67495000       1.67992000       7.80635000       1.40963927      -0.24038706       1.85379847
Zn      -0.06580000       3.27681000      17.54002000      -0.01251360       1.59394131       0.94030923
Zn      -2.71296000       4.79890000      23.58099000       0.04234036       1.07938334       0.48235996
Zn       2.84451000       1.84037000       4.73300000      -0.05744891      -0.55297512      -1.55672294
Zn      -0.15892000       3.35311000      14.11639000      -0.18696120       0.20876840      -0.55314246
Zn       2.63898000       4.90193000      13.04694000       0.40501543       2.48072947       1.08286514
Zn       3.32249000       1.49633000      22.84415000      -0.63770043       0.55377731      -0.39386661
Zn      -0.14466000       3.52774000       3.97968000       0.38141334      -0.43931254      -0.61640298
Zn       5.83772000       0.05177000       9.36477000      -0.31847254      -0.82528374      -0.08299867
Zn       3.04561000       1.74693000      18.53745000       0.36791948      -0.15239722       3.53501977
Zn       0.05297000       3.49119000      28.52633000       0.00108355      -0.59297782      -0.07707045
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.98782662 magmom=72.0027196 free_energy=-552.98782662 stress="-0.04415686648496625 0.001995410929416553 -0.0008464839471461098 0.001995410929416553 -0.03521616424650303 -0.001737275225380695 -0.0008464839471461098 -0.001737275225380695 -0.03322020096849487" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31721000       0.73467000      15.72320000       3.38732392      -0.08038645      -1.37165898
Cr       4.50348000       0.80059000      15.58795000      -0.25775938       0.93717694      -0.38942085
Cr       2.80312000       3.39329000      15.88666000       0.14438641      -1.60348521      -3.27551804
Cr      -1.20593000       2.36547000      25.47038000       0.66892829       0.39571097      -1.39685240
Cr       1.70255000       2.52684000      25.52203000       0.46300194      -1.03356178      -0.52940266
Cr       0.22642000       4.99179000      25.44830000       0.01041678       0.99363018       0.41126694
Cr       1.30424000       4.32141000       6.25791000       0.02331058       0.23199066      -0.25825414
Cr      -1.69173000       4.42466000       6.32493000       0.43833778      -1.83298433      -0.72710318
Cr      -0.10003000       1.87746000       6.31079000      -2.10427894      -0.93998325      -0.60099992
Cr      -2.88808000       5.06766000      18.07642000      -0.81879144       1.32100478       1.68192953
Cr       3.28946000       1.64186000      27.81782000      -1.98787953       1.05085639       3.11081594
Cr      -0.13115000       3.42037000       8.65101000       0.03690139       1.61962080       1.00780002
Cr      -0.04279000       0.13842000       3.97273000      -0.98889071      -0.41140687      -0.32691858
Cr       2.77298000       1.67052000      13.46566000      -0.41437518      -1.35891375      -2.89442470
Cr       0.13173000       3.34642000      22.94813000       1.02027753      -0.23334769       2.57217337
Cr       0.20197000       1.84232000      20.57209000      -0.45400987      -2.49156172      -1.53849163
Cr       1.67049000       4.20565000      20.55979000      -1.01324263       2.90812211       0.89788552
Cr      -1.33176000       4.27798000      20.63856000      -0.76700428       1.12807852      -0.85959319
Cr       2.96940000       3.55180000       1.55774000      -1.21460223      -2.72919338       0.90842799
Cr       1.35402000       0.97744000       1.73112000       3.51406789       0.44149623      -1.43649485
Cr       4.45670000       0.92688000       1.69161000      -1.57756873       1.28075932       0.07197442
Cr       2.66671000       0.03740000      11.10866000       1.60728855      -1.06328874       0.74563084
Cr       4.21034000       2.56447000      10.99236000       1.09942465      -0.83589062       1.40821226
Cr       1.27991000       2.57651000      11.00512000       1.31356389       1.25761399       3.29218962
O        1.45290000       0.72419000      19.25891000       0.06495808       0.46180695       1.11438842
O        4.70834000       1.00069000      19.26054000       0.93123313      -1.30200180       1.15331692
O        2.99498000       3.58772000      19.43213000       1.60936178      -0.97903790      -1.26776292
O        4.42452000       2.53410000       0.58494000      -0.92559094       0.14691099      -0.59390243
O        1.65921000       2.47762000       0.44982000       0.24538420       0.74619047      -0.55093919
O        2.96827000       0.25032000       0.59808000       0.24282162      -0.61343688      -0.40053202
O        1.21228000       4.24809000       9.94682000      -0.19968525       0.39381022      -0.92895145
O       -1.50281000       4.19529000       9.86369000       0.29923804      -0.65364436       0.10375311
O        0.00774000       1.96678000       9.84650000      -2.89472322      -2.03284244      -0.97254505
O        1.31269000       0.97917000      12.26321000       0.17878485      -0.87742690      -0.08960602
O        4.13031000       0.93896000      12.18634000      -0.04051148      -0.39283819      -0.14735673
O        2.86583000       3.20767000      12.25681000      -1.03095783       0.64783878      -0.63311566
O       -1.16921000       2.59349000      21.70966000      -0.84579809       0.35586628       0.57713850
O        1.54662000       2.70952000      21.79000000       0.48692957      -1.24214404      -0.41364433
O        0.25781000       4.86700000      21.76407000      -1.21679854       1.48716215       0.33687677
O        1.63361000       4.51657000       2.79103000      -1.17128452      -1.55379119      -0.40274533
O       -1.71178000       4.30317000       2.78995000       1.55192674       1.65556065       0.92886340
O       -0.01379000       1.78126000       2.82202000      -0.54672487      -0.52016902       0.23875925
O        1.17170000       0.93471000       5.20889000       1.26718266       0.22066175       0.74589249
O        4.36274000       0.82825000       5.21435000       1.18174956       0.64198905       0.01731084
O        2.80485000       3.65864000       5.11530000      -0.01308309       0.45251650       1.10572099
O        4.07655000       2.49884000      14.45254000       0.85234500       0.03918122       2.73342394
O        1.50128000       2.35460000      14.70516000      -1.60438405       1.47472578       0.48952694
O        0.10434000       5.10514000      14.62320000      -1.30808182       0.94547587      -0.29609625
O        1.51519000       4.10045000      24.29057000      -0.43452156      -0.73023081       0.05150427
O       -1.12689000       4.11214000      24.40253000      -0.59020135      -0.64006362      -1.32586994
O        0.27142000       1.75368000      24.38169000       0.20061277      -0.56504843      -0.92659984
O        0.14924000       0.11312000      21.67789000       0.24328402      -0.65861805      -0.54344735
O        2.78588000       1.86227000       2.77056000       1.08255251      -0.39072032      -1.39954916
O       -0.11371000       3.39713000      12.07792000      -1.32001030       0.29549528       0.18386357
O        5.71495000       0.06634000       7.32114000      -0.24594234       0.85269909       0.34106311
O        3.06652000       1.59385000      16.51541000      -1.75456459       0.38525238       3.30384291
O        0.17785000       3.33438000      26.52979000       0.50887510      -0.19841288       0.16086221
O        0.12171000       0.06163000       0.49511000      -1.17661183       0.52833902       1.26257467
O        2.64428000       1.64763000      10.09557000       1.71024956       0.66851912      -2.64120742
O        0.06850000       3.58415000      19.51064000       1.00677981      -1.28698995      -0.28516946
O        0.06741000       1.52780000      16.87052000      -0.87331315       0.38976669       0.03573569
O        1.49595000       4.48141000      16.81871000       0.66347581      -1.69954533       1.67122223
O       -1.58073000       4.18183000      16.79273000      -1.86930179       1.10356472       0.15557189
O        3.35886000       3.15059000      26.49516000      -1.97124676       1.03005782       1.17040969
O        2.02838000       0.85566000      26.67819000      -2.48170767      -0.16643203      -1.41899798
O        4.49483000       0.77785000      26.65121000       1.82058362      -0.58759033      -1.01662041
O       -0.20663000       4.93780000       7.38715000       0.74294880       1.08874665       0.17876452
O       -1.55633000       2.74921000       7.37567000       0.37889574      -0.41194393       0.01685065
O        1.22678000       2.74922000       7.39618000      -0.00492770      -0.33198811      -0.08394114
Zn      -2.63496000       5.00419000      27.26879000       0.24488010       0.18586566      -1.06106518
Zn       2.75453000       1.69757000       7.80760000       0.65656599       0.07347442       1.67514670
Zn      -0.11795000       3.41174000      17.51766000       1.95315869      -0.75258122       0.88211142
Zn       3.10142000       4.79625000      23.63174000       1.08589868       1.52408293      -0.40320770
Zn       2.84335000       1.80086000       4.68266000      -0.18565571       0.09628792      -0.76841797
Zn      -0.25799000       3.34024000      14.14456000       1.93244163      -0.12741486      -1.68662815
Zn       2.74204000       4.93110000      13.17778000       0.09444493       1.04495413      -0.25614294
Zn       3.29717000       1.58404000      22.89643000      -0.32927165      -0.13108457      -0.23058578
Zn      -0.06870000       3.49241000       3.88706000      -0.05793563       0.33691356      -0.46204200
Zn       5.86837000       0.05692000       9.31103000      -1.53843969       0.25802418       0.14969389
Zn       3.04726000       1.66924000      18.61098000      -0.13998602       0.11307888      -0.18542090
Zn      -0.00980000       3.49721000      28.54008000       1.40487179       0.24912093       0.10474838
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.11329359 magmom=71.9949146 free_energy=-552.11329359 stress="-0.03562248282059066 -0.0045665580966639955 -0.0015622653879134674 -0.0045665580966639955 -0.03452131161568377 9.076716518768466e-05 -0.0015622653879134674 9.076716518768466e-05 -0.03354328438094758" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38116000       0.70074000      15.70558000       1.14234796       1.74255260       0.05324038
Cr       4.47214000       0.88283000      15.55508000      -0.25746374      -1.23157889       2.69348157
Cr       2.82050000       3.38484000      15.79732000      -1.04767313      -2.14731313      -1.20573304
Cr      -1.16780000       2.29276000      25.39811000      -1.30783032       0.42549852       1.81452783
Cr       1.69838000       2.49924000      25.62668000       0.57450251      -0.30878614      -1.46306069
Cr       0.14556000       5.08781000      25.39251000       0.13578780      -1.86550913       0.66595986
Cr       1.27328000       4.36416000       6.30844000       0.96357111       0.49083971      -0.23369051
Cr      -1.60926000       4.38634000       6.26970000      -1.21418597       0.21188986      -0.54247832
Cr      -0.18235000       1.89468000       6.20593000       1.94200558       1.40543159       2.16229130
Cr       2.95961000       5.01958000      18.05656000      -1.63025221       1.77187092       1.59096238
Cr       3.31333000       1.63938000      28.02054000      -3.12552455       0.06555456      -4.43053029
Cr      -0.09447000       3.55119000       8.70192000      -1.85319996      -2.85950108      -1.87217395
Cr      -0.08263000       0.16682000       3.97544000       0.42447849      -1.03161575       0.42599786
Cr       2.80331000       1.56555000      13.39473000      -0.35532488      -0.15133086       0.62865304
Cr       0.14189000       3.36236000      22.93583000      -0.48791835      -0.89822680       0.24499830
Cr       0.14964000       1.76737000      20.49440000      -1.19069583      -2.80843636       0.64827108
Cr       1.56909000       4.26654000      20.51854000       1.16140785       0.59879228       0.33155297
Cr      -1.35117000       4.33474000      20.55334000      -0.13180335      -1.31575277      -0.32201944
Cr       3.02775000       3.49300000       1.58240000       0.67920549       2.10805558       2.02820125
Cr       1.46319000       1.06639000       1.78590000       1.33822115      -0.09830167      -2.79520432
Cr       4.44327000       0.92966000       1.75050000       0.54778935      -2.28018144      -0.87369932
Cr      -0.32082000       5.08505000      11.04541000       2.72350862      -0.78089217       0.00880377
Cr       4.19878000       2.49324000      11.07882000       1.77740188      -1.81151314      -1.64899315
Cr       1.38043000       2.51317000      11.06468000      -3.07663703       0.02798301      -2.19949263
O        1.37670000       0.66658000      19.20058000       0.66333914       0.97033759       0.77839217
O        4.62205000       0.82223000      19.39977000       0.62287168      -0.86988452      -0.54268554
O        3.11970000       3.48172000      19.30319000      -0.78157991       0.84534120       0.43135032
O        4.45990000       2.47235000       0.58381000       0.54156130       0.98479244       0.35627012
O        1.74140000       2.64148000       0.54057000      -0.84982796      -0.96880491      -1.48334434
O        2.88195000       0.22175000       0.54348000       0.74452870      -0.56912728       1.43588550
O        1.10370000       4.27418000       9.85653000       2.08943449       0.18601514       1.69088880
O       -1.51778000       4.07643000       9.92550000      -1.36919177       1.02764209      -0.26441530
O       -0.12060000       1.84504000       9.83730000      -0.06012057       1.31078650       0.64010604
O        1.35121000       0.81953000      12.25537000       0.57807080       0.21361006      -0.37318419
O        4.27162000       0.69309000      12.17660000      -1.79724165       1.26397610       0.18141336
O        2.72135000       3.08719000      12.20742000       1.41247071       1.40799794       1.08002801
O       -1.31788000       2.63116000      21.61476000       0.89778720       0.44375389       1.29789185
O        1.47036000       2.65387000      21.61106000       0.34612992      -0.13802544       1.35049961
O        0.20482000       5.04414000      21.86489000      -0.70479436      -0.69563601      -0.69805649
O        1.60635000       4.30397000       2.88849000      -0.57634974       0.76281892      -1.66888792
O       -1.63740000       4.61899000       2.79141000       1.10171363      -2.30180711       1.24006001
O       -0.03579000       1.68827000       2.77689000      -0.20738935       1.58459376       0.83970891
O        1.21545000       0.97454000       5.23764000       1.06909916      -0.23584322      -0.86198573
O        4.55204000       0.93154000       5.22617000      -3.89195827      -0.62497957      -1.89758485
O        2.66464000       3.76058000       5.14340000       1.79407402      -1.84187787       0.49390483
O        4.03344000       2.50929000      14.67732000       1.22115124      -0.25410785      -2.23212477
O        1.38697000       2.40510000      14.65516000       1.26649132      -0.32640027      -0.45423248
O        2.95757000       0.02681000      14.75849000      -0.97042017      -0.24820234      -1.97890739
O        1.41960000       3.92992000      24.32354000       1.04037415       1.79210661      -0.69291959
O       -1.30198000       3.95353000      24.46125000       0.83694493       1.10433065      -1.78171251
O        0.22636000       1.71771000      24.18822000       0.27862544      -0.57759895       0.18337559
O        0.12362000       0.02625000      21.45268000      -0.19107830      -0.06715315       2.01215872
O        3.09480000       1.91711000       2.60039000      -1.31173287      -1.17869748       2.57847145
O       -0.20039000       3.24217000      11.99780000       0.20597545       1.42093275       1.72779770
O       -0.11444000       0.24258000       7.26871000      -0.39280094      -1.36664470       0.70641526
O        3.02307000       1.57218000      16.77804000      -1.02536330       0.52877927      -1.01369254
O        0.24620000       3.34114000      26.48514000      -1.38484535      -0.25682007       0.83497200
O        0.12682000       0.06191000       0.70071000      -0.90903100       1.29607113      -1.09152345
O        2.81618000       1.70765000       9.80185000      -0.64670668      -0.34694611       2.74539413
O        0.12004000       3.33996000      19.55606000      -0.28971206       2.53289837      -2.43098122
O        0.00086000       1.61181000      16.65253000      -0.47963737      -0.26561895       1.67409549
O        1.57411000       4.35609000      16.73679000      -1.12568869       0.69872669       1.70656858
O       -1.73883000       4.23585000      16.85283000       1.52708729      -0.19858400      -0.52110352
O        3.25939000       3.17646000      26.67712000       0.32805168      -1.28378086      -0.28980078
O        1.81316000       0.83717000      26.59690000       1.09671454       0.60176747       0.46186699
O        4.50816000       0.52033000      26.67851000      -0.37588110       2.47866729      -0.47208356
O       -0.19134000       5.05829000       7.38089000       0.22801589      -0.53686611       0.22906223
O       -1.49605000       2.77221000       7.30427000      -0.41825852       0.06913782       0.72262815
O        1.13391000       2.72929000       7.39298000       1.07845658       0.55870438      -0.01240610
Zn      -2.60993000       5.04141000      27.34921000      -0.59516542      -0.51438782       0.22078295
Zn       2.87536000       1.72570000       7.89841000      -0.50363448       1.50626456       0.14799581
Zn      -0.08409000       3.52587000      17.53886000       0.78945221      -0.90910395       0.17316999
Zn       3.05992000       4.87154000      23.67085000      -0.06557327       0.55457674      -0.66579694
Zn       2.83282000       1.77114000       4.57987000       0.50201545       0.77471211       0.02161071
Zn      -0.26211000       3.32185000      14.09216000       1.15680381       0.17476288      -1.08037665
Zn       2.85050000       5.02877000      13.32565000      -0.47926503      -0.04841769      -0.42806516
Zn       3.25300000       1.67017000      22.94418000      -0.14102698      -0.07016010      -0.66540904
Zn       0.00917000       3.47303000       3.78126000      -0.48365547       0.56497742       0.30451761
Zn       5.82532000       0.06445000       9.25522000      -0.55881781      -0.59800460      -0.12187795
Zn       3.02763000       1.60234000      18.69188000      -0.10101638       0.41876324       0.50579593
Zn      -0.00371000       3.51247000      28.55405000       1.53880558      -0.04389335      -0.75978673
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.84830136 magmom=72.0031898 free_energy=-551.8483024 stress="-0.035696640306386876 -0.0020595838730640905 0.008446670244908869 -0.0020595838730640905 -0.02965304118985182 0.005190318896207427 0.008446670244908869 0.005190318896207427 -0.03998036833043769" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47222000       0.76436000      15.73628000      -2.77584872       0.79329077       0.19383423
Cr       4.43997000       0.88726000      15.68567000      -1.96507310      -1.62872954      -0.09811509
Cr       2.78867000       3.29234000      15.69105000       0.44545726       1.52666004       0.71432380
Cr      -1.21431000       2.26789000      25.43427000      -0.69476052       1.39315856      -0.58954928
Cr       1.72183000       2.47149000      25.64438000      -1.34197823       1.64877275      -3.22575793
Cr       0.08341000       5.08109000      25.39425000       0.73325310      -2.22047951      -0.66950614
Cr       1.30437000       4.42344000       6.33273000       0.97308121       0.02566009      -1.29276689
Cr      -1.58365000       4.35387000       6.19889000       0.50226799       1.42589466       1.20740086
Cr      -0.18805000       1.95662000       6.20662000       1.62346116      -1.50532544      -0.35916150
Cr       2.84809000       5.04766000      18.07863000       2.91308642       0.27344860      -1.54334180
Cr       3.18089000       1.64817000      28.06456000      -0.17062275      -0.30361100      -3.02613508
Cr      -0.14482000       3.53813000       8.68768000      -0.57446315      -0.84300741       0.28474846
Cr       5.79875000       0.13069000       3.99201000       0.93049222      -0.25931969       0.22018254
Cr       2.80625000       1.47198000      13.32994000      -0.13671070       2.94554868       0.31313627
Cr       0.14128000       3.32840000      22.94546000      -0.33328125       0.29312543      -0.89412625
Cr       0.04537000       1.58151000      20.45105000       0.96190894       3.85979882       2.39461297
Cr       1.53065000       4.31759000      20.52086000      -0.57842871      -4.20247586       2.12412461
Cr      -1.39296000       4.31507000      20.45699000       0.88517756      -1.58184289       1.31514232
Cr       3.09746000       3.50185000       1.68738000       0.69824725       1.77677290       0.49322682
Cr       1.64587000       1.11980000       1.68925000      -4.24670476      -1.76110894       2.20627577
Cr       4.42954000       0.85455000       1.69748000       1.66699822       1.01573645       1.38910774
Cr      -0.20071000       4.97323000      10.99860000      -0.10086131       0.59502152       0.75183602
Cr       4.28161000       2.34774000      11.09799000      -1.39495875       2.45435947       0.89385598
Cr       1.33119000       2.47982000      11.05619000       0.16537357       0.51980162       0.38125389
O        1.36417000       0.76545000      19.31004000      -0.16163713      -0.31409320      -0.61513468
O        4.69731000       0.62066000      19.39650000      -2.85116397       3.05120586      -1.21341123
O        3.12806000       3.54265000      19.25980000      -0.81904283      -0.73458273       0.71711700
O       -1.39542000       2.56007000       0.62626000      -1.28341896      -0.40765123      -0.41771280
O        1.75887000       2.64530000       0.43111000       0.82397637      -0.41450329       0.43471653
O        2.93039000       0.12940000       0.69834000       0.47476716       0.45006620      -1.35082395
O        1.23252000       4.22321000       9.96446000      -0.07123810      -1.17392133      -0.91966998
O       -1.65196000       4.09969000       9.95130000       1.05545446       0.14462539      -0.77896756
O       -0.27547000       1.93578000       9.88351000       2.36566738      -1.16494148      -1.32693953
O        1.51887000       0.73611000      12.14607000      -2.64303802       0.74493755       0.24330223
O        4.06380000       0.71787000      12.17519000       2.25781789      -0.42383641      -0.09336807
O        2.78204000       3.12193000      12.25067000       0.00307786       0.14819139      -0.28952642
O       -1.25139000       2.76245000      21.71730000      -0.59345318      -1.77280456      -0.38610867
O        1.37039000       2.58815000      21.63298000       0.80205859       0.12398870       0.01208440
O        0.02004000       5.02921000      21.79847000       0.93225171      -0.07013925      -0.39516799
O        1.56426000       4.27294000       2.66452000       0.90723463       0.32520282       0.96473116
O       -1.41165000       4.64702000       2.97947000      -1.53918637      -0.74566191      -1.43507371
O       -0.09343000       1.73185000       2.85437000       1.13194092      -0.60972876      -0.73002573
O        1.34047000       0.92519000       5.19303000      -2.31617765       0.11588530       0.06381590
O        4.31288000       0.93777000       5.04561000       2.94844174      -1.47885786       1.82370353
O        2.82100000       3.62643000       5.28492000      -0.65921200       0.34576730      -1.65502471
O        4.14351000       2.41968000      14.58853000      -0.29971342      -0.30037297      -0.19489138
O        1.51620000       2.38799000      14.56200000      -0.95483011       0.03464607       0.19179016
O        2.72571000       0.03890000      14.53152000       1.76265075      -1.09631383       1.50075623
O        1.45147000       4.03751000      24.27696000       0.18003569       0.16386185       0.99898834
O       -1.26700000       3.92935000      24.23393000       0.13878244       0.73374787       1.20240254
O        0.20318000       1.67918000      24.09346000       0.07533862       0.94097708       1.99357323
O       -2.86569000       5.02591000      21.52462000      -0.21001629       0.68475983       0.87672460
O        3.13027000       1.81403000       2.71738000      -0.86053513       1.04646005      -2.33945065
O       -0.26627000       3.33484000      12.12540000       1.26459822      -0.67463735      -1.38113537
O        5.78194000       0.20628000       7.26546000      -0.18667413      -0.02795522      -0.29853292
O        2.75201000       1.68382000      16.82804000       1.48283362      -0.30497554      -0.34399379
O        0.12585000       3.27314000      26.49238000       0.18419354       0.39464275       0.47271532
O        0.02270000       0.22950000       0.76975000       2.10535400      -1.58649311      -2.02463085
O        2.88255000       1.68369000       9.98603000      -1.66188801      -0.94809565      -0.76341049
O        0.14962000       3.42507000      19.35051000      -0.66190266      -0.30198626       2.86215904
O       -0.15509000       1.63824000      16.73995000       1.46566608      -0.42207081       1.37742100
O        1.51950000       4.33756000      16.90316000       0.95845453       0.60285402      -1.82942078
O       -1.71686000       4.28564000      16.78471000      -0.07290719      -0.40238693       0.29077805
O        3.18418000       3.00435000      26.76636000       0.91365116       2.14771006      -0.88447603
O        1.78688000       0.87420000      26.57838000       0.02391602      -1.21543288       1.80944822
O        4.45048000       0.71059000      26.58489000       0.39275209      -0.15486969       1.04906998
O       -0.13492000       5.04956000       7.40156000      -0.49177322       0.99413891       0.32763605
O       -1.45026000       2.82061000       7.33051000      -0.54956230      -0.43133500       0.66025959
O        1.17782000       2.82356000       7.36484000       0.51174902      -0.88096444       0.62169874
Zn      -2.61902000       5.05315000      27.42453000      -1.23369811      -0.49810995      -0.32202661
Zn       2.96603000       1.81957000       8.00541000      -1.14125784      -0.01595636       0.49066949
Zn      -0.01287000       3.58073000      17.56323000      -1.76692769      -1.27003561      -1.58531280
Zn       3.02419000       4.97175000      23.67144000       0.54824933      -0.72819034      -1.20275676
Zn       2.83925000       1.79088000       4.47920000      -1.57831036       1.43900163       1.89247237
Zn      -0.19305000       3.31219000      13.98536000       0.99633038      -0.18404237       0.52034428
Zn       5.88080000       0.01237000      13.45010000      -0.37738052      -0.67511404      -1.33471991
Zn       3.20107000       1.74611000      22.96403000      -0.39803858      -0.24629559      -1.31572951
Zn       0.05556000       3.48374000       3.70679000      -0.53590407       0.33248025       1.05666267
Zn       5.75008000       0.05083000       9.20140000       0.03880393       0.07074577       0.72005671
Zn       2.99218000       1.56985000      18.79027000       0.52330515       1.13956318      -0.00002675
Zn       0.08310000       3.52400000      28.52650000       0.46442160      -0.74025395      -0.93223005
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.91625418 magmom=72.0010696 free_energy=-551.91704712 stress="-0.04619950723849684 0.0010964870521720698 0.003069090583499295 0.0010964870521720698 -0.043945669170258814 0.0006021754202843502 0.003069090583499295 0.0006021754202843502 -0.048969682868561806" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37091000       0.85531000      15.80301000      -0.60633575      -1.19103521      -2.19116825
Cr       4.34134000       0.80967000      15.85396000      -0.94719087       2.14108022      -3.83413696
Cr       2.78274000       3.30985000      15.64626000       2.17590581       1.33842247      -1.28799149
Cr      -1.31242000       2.33693000      25.46131000      -0.63281189       1.72373105      -0.35465587
Cr       1.68963000       2.51786000      25.51342000      -0.55886837      -0.50775381       0.23486101
Cr       0.07055000       4.95821000      25.39388000       0.28704191       1.45746167       2.03022637
Cr       1.37584000       4.45765000       6.30170000      -1.15464769      -2.88013863       1.00674712
Cr      -1.53877000       4.39515000       6.20741000       0.17432303       0.11851880       1.63724154
Cr      -0.09400000       1.94549000       6.21716000      -0.41030018      -0.58648121       1.01580969
Cr       2.87672000       5.10411000      18.05921000       0.99908209      -0.84043338       1.50688877
Cr       3.04136000       1.64369000      28.01114000       2.70147625       0.55113988      -2.65527220
Cr      -0.22258000       3.46230000       8.66314000       2.65585508       0.78845115       0.73301308
Cr       5.83589000       0.07349000       3.99157000      -0.09291058      -0.24226082      -1.15445456
Cr       2.79704000       1.52522000      13.27934000       0.03819920      -0.37912788       0.51101322
Cr       0.11672000       3.30594000      22.91981000      -0.16237286       0.97604057       1.15738290
Cr      -0.01191000       1.58905000      20.53176000      -0.30617228       1.15334937       0.27349504
Cr       1.48443000       4.15170000      20.62813000       1.45287620       1.52171491      -1.51494957
Cr      -1.40578000       4.20244000      20.45007000      -1.96450869       0.98370343       1.94555979
Cr       3.21054000       3.59914000       1.77763000      -0.58671539      -1.26754157      -3.21590494
Cr       1.61589000       1.06003000       1.63362000      -2.53807558      -1.23968996       1.10250877
Cr       4.50977000       0.85417000       1.60493000       1.26875818       2.16666841       1.04502929
Cr      -0.08276000       4.90121000      11.00154000      -1.76864013       2.27466983       0.38056305
Cr       4.30009000       2.32658000      11.12097000      -0.71763619       2.29347145      -1.44470906
Cr       1.28194000       2.46322000      11.05532000       2.40822633      -1.32266582       0.44196489
O        1.29039000       0.79177000      19.35186000      -0.06319977      -0.96251462      -0.27173662
O        4.45396000       0.86106000      19.19478000       4.50813883      -2.72491108       2.32380420
O        2.96544000       3.55275000      19.34179000      -0.29848076      -0.17289134       0.10099254
O        4.38965000       2.59586000       0.59986000       1.29474294      -0.52832719      -1.02559372
O        1.84749000       2.61046000       0.43310000      -1.53203949       0.78837672       0.87099684
O        3.03845000       0.08904000       0.68320000      -0.33259367       0.51522426      -1.38730383
O        1.31150000       3.99281000       9.95427000      -0.43160374       1.97939825      -1.64157906
O       -1.55084000       4.14155000       9.86869000      -0.23282654      -0.56857442       0.24874563
O       -0.09966000       1.89233000       9.80129000      -1.22583982      -1.35168775      -0.09518020
O        1.34126000       0.81196000      12.09823000       0.08745368      -0.84500027       1.32530749
O        4.14926000       0.74230000      12.15534000       1.08413538      -0.90376808       0.56903973
O        2.87453000       3.13626000      12.24457000      -0.40248441       0.30808662      -0.38080337
O       -1.23308000       2.60855000      21.72979000      -1.27653520      -0.67903381       0.02599418
O        1.36400000       2.56473000      21.66740000       1.15181930      -1.28086238       0.50356550
O        0.01616000       4.88596000      21.61077000       0.15278098       0.72776001       1.72961022
O        1.72743000       4.37358000       2.64428000      -1.74235135      -0.45146396       1.41224407
O       -1.50267000       4.51493000       2.92532000       1.10748622       0.32104810      -0.26578438
O        0.06471000       1.62275000       2.82007000      -0.17478645       1.10986615      -0.80150415
O        1.07771000       0.89031000       5.18015000       3.71911640       1.32657572      -0.18874132
O        4.47602000       0.76004000       5.14921000      -1.61241732       3.22684437      -1.30019689
O        2.91818000       3.58944000       5.18295000      -0.63521434       0.50491687       0.08650784
O        4.20142000       2.22835000      14.44425000       0.35516672       1.18379702       1.68837791
O        1.54096000       2.36018000      14.51468000      -1.39254774       0.52628504       0.81889670
O       -0.15285000       5.10368000      14.55233000       0.19821888       0.42214638       1.57530611
O        1.47591000       4.16920000      24.38187000       0.45255851      -1.01856753      -0.99551408
O       -1.15215000       4.05518000      24.20067000      -1.56058926       0.22253069       0.33065222
O        0.18394000       1.84440000      24.35039000       0.73343952      -1.36439981      -1.00572063
O        2.95135000       5.04585000      21.65859000       0.20772621      -0.00758042      -0.68331451
O        2.97727000       1.88779000       2.54789000       1.86055924      -0.81189883       2.39253393
O       -0.10491000       3.32133000      11.98760000      -1.11555403      -1.03478660       1.62460439
O        5.75350000       0.14409000       7.21609000       1.06191317       0.61568636       1.02187879
O        2.76400000       1.74022000      16.69498000       1.21386296      -0.70920945       2.10440776
O        0.03604000       3.26139000      26.50969000       1.33772514       0.49268849      -0.19996300
O        0.20593000       0.15754000       0.61590000      -0.71569988      -0.12488664       1.95517029
O        2.70928000       1.52595000      10.16472000       1.78534265       0.73828938      -2.76886635
O        0.04738000       3.47414000      19.56019000       0.37821501      -1.84414642      -2.26448290
O       -0.09824000       1.56792000      16.98487000       0.25946394       0.84293275      -1.11792753
O        1.59370000       4.37185000      16.78468000      -0.65304621      -2.28186664       1.69588090
O       -1.66157000       4.26084000      16.71324000      -0.46551981      -0.02150071       1.38327580
O        3.21547000       3.12762000      26.64350000      -1.15438714       0.60357147      -0.12485874
O        1.84642000       0.76795000      26.77121000      -0.81374725       0.67001730      -1.83758333
O        4.39740000       0.89068000      26.63314000       0.35475201      -2.08991842       0.52379674
O        2.81492000       0.00541000       7.44533000       0.27508559       0.16591976      -0.53622730
O       -1.43451000       2.82195000       7.40530000      -0.61486452      -0.55439395      -1.67753049
O        1.26388000       2.82102000       7.41644000      -0.18813200      -0.50790518      -0.43639529
Zn      -2.69283000       5.03238000      27.46887000      -0.75836080      -0.59553306      -2.97470659
Zn       2.98690000       1.91607000       8.12696000      -1.75821426      -0.83859569       0.84966743
Zn      -0.01475000       3.56723000      17.53386000      -0.48006839      -0.93480411       0.19848004
Zn      -2.88203000       5.04733000      23.62193000       0.88963143       0.30519653      -0.00927847
Zn       2.79785000       1.86564000       4.46205000       0.05172402      -1.31952223       0.74565455
Zn      -0.07579000       3.28936000      13.90280000      -0.50348853      -0.05911216       0.32500295
Zn       0.03570000       0.07325000      13.51899000      -0.40395458      -0.52936063      -1.51221710
Zn       3.13047000       1.80776000      22.93681000      -0.20951494      -0.44165912      -0.63978678
Zn       0.07121000       3.51051000       3.68760000      -0.05604533      -0.19063849       0.46413488
Zn       5.67733000       0.03331000       9.17495000       0.64796371      -0.40478089       0.92489588
Zn       2.95832000       1.60830000      18.90017000      -3.40263290       2.48121100      -1.28228393
Zn       0.19636000       3.49291000      28.45127000      -0.67683960      -0.95556230       0.23659341
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.17142191 magmom=72.0027295 free_energy=-552.17168222 stress="-0.033678684671517085 -0.0019388006725806295 0.00292811140113723 -0.0019388006725806295 -0.0305345591271781 -0.006022981258571614 0.00292811140113723 -0.006022981258571614 -0.0427550121320557" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.21029000       0.85189000      15.80835000       3.83081214      -0.45456352      -0.94538711
Cr       4.23374000       0.79148000      15.88491000       2.37748920      -0.46853391      -0.26763143
Cr       2.90176000       3.41370000      15.57727000       0.05581732      -1.54404135       1.17433003
Cr       4.45990000       2.49450000      25.47933000       1.59641422      -0.78818500      -0.79187209
Cr       1.64785000       2.53816000      25.40346000       0.54267784      -1.46061350       0.89537606
Cr       0.09170000       4.92077000      25.49851000       0.70547074       2.99216502      -0.21418267
Cr       1.39538000       4.37172000       6.30170000       0.18412671       1.26083974      -0.90409965
Cr      -1.47860000       4.45598000       6.30696000      -0.59661309      -0.07692188      -1.47479137
Cr      -0.01035000       1.88720000       6.27018000      -1.19422988      -0.67667508      -1.44160102
Cr       0.02262000       0.02235000      18.07853000      -1.89947157      -1.86089976       1.57158796
Cr       3.02397000       1.64811000      27.89576000       0.69508247       1.55343339      -0.56842738
Cr      -0.16483000       3.40666000       8.64376000       0.95139305      -0.30425521      -1.85606497
Cr      -0.00784000       0.05001000       3.94258000       0.54432856       3.02338368       1.08391761
Cr       2.80022000       1.58570000      13.28839000       1.06505512      -1.63805252       2.67844721
Cr       0.07188000       3.33101000      22.96453000      -0.03309918      -0.50374206       1.39071099
Cr      -0.06150000       1.64818000      20.62502000       1.49567620      -2.13174361      -1.13540860
Cr       1.50230000       4.04766000      20.66093000      -1.10009787       2.39710455      -0.92107090
Cr      -1.50313000       4.13233000      20.55216000      -0.08759775       0.45123701       0.47982259
Cr       3.26077000       3.57620000       1.67694000      -2.74466756      -3.62094743       0.19745948
Cr       1.52940000       0.95958000       1.59808000       4.68591396       1.35293416       1.37502383
Cr       4.61806000       0.99242000       1.52614000      -1.62129294      -1.35617352       2.05524842
Cr      -0.05979000       4.94844000      11.03359000      -0.23444977      -0.43686522      -0.23650290
Cr       4.27207000       2.43326000      11.07737000       1.44034641      -1.12057051      -2.28477336
Cr       1.37030000       2.37550000      11.05015000      -0.84807090       0.30783332      -2.12897743
O        1.24095000       0.63133000      19.37448000       2.10497473       0.68959439       0.79202011
O        4.71460000       0.74014000      19.38106000      -3.20055429      -0.05398102       0.10654464
O        2.78559000       3.52540000      19.44202000       2.42812200      -0.14031526      -1.17271927
O       -1.45129000       2.56775000       0.41491000       0.30598459       0.39822555      -0.58234190
O        1.75393000       2.67484000       0.58019000       1.13710446      -1.21808956      -0.90910794
O        3.10156000       0.15930000       0.44975000      -0.26025221       0.16757351       0.59901783
O        1.23768000       4.01507000       9.77101000       0.35032716       0.30824567       2.08861872
O       -1.42686000       4.07565000       9.87520000      -1.63989749       0.26045397       0.98757962
O       -0.05211000       1.72625000       9.74491000      -0.63974518       1.69069275       1.40075157
O        1.24705000       0.82395000      12.22810000       2.58344135      -0.35414494      -0.47200030
O        4.36676000       0.68091000      12.16373000      -1.95681385       0.73820884       0.26576063
O        2.86854000       3.10144000      12.13755000      -0.82990680       0.53094843       0.63754913
O        4.50787000       2.39029000      21.72653000       0.11930796       2.10022446       0.94155471
O        1.48162000       2.42014000      21.75122000      -0.92711474       0.45917062       0.60849142
O        0.04330000       4.78427000      21.68287000      -0.89246559       0.38996009       0.70252563
O        1.66208000       4.42105000       2.83350000      -0.16545510      -0.34228616      -2.09034594
O       -1.46447000       4.48351000       2.82906000       0.90674550      -0.04403183       0.28567564
O        0.17486000       1.62831000       2.68353000      -1.37708671       1.25503140       0.90004401
O        1.32778000       1.02047000       5.14927000      -1.30545497      -1.77800140       0.85300574
O        4.49380000       0.98403000       5.15090000       0.24560713      -0.77684120      -0.11713420
O        2.89131000       3.71759000       5.13450000       0.30658314      -0.64678112       1.24879733
O        4.22305000       2.22787000      14.57249000       0.11975860       1.71455627      -0.65590572
O        1.43390000       2.37628000      14.61923000       1.55728543       0.04277354      -0.24758077
O        2.89748000       0.05439000      14.84234000      -1.96546231      -0.99160305      -2.43858219
O        1.48801000       4.11183000      24.33978000      -0.36273341       0.63837655      -1.62016059
O       -1.24128000       4.20388000      24.25950000       0.02990309      -1.16231360      -0.23470397
O        0.19251000       1.82556000      24.43930000      -1.61472893      -0.81005571      -1.94900346
O        2.89700000       5.07044000      21.60533000       0.79603652      -1.00151993       0.94855671
O        3.12385000       1.83727000       2.58881000       0.10012013      -0.34540538      -0.22723023
O       -0.12363000       3.18383000      11.97384000       0.24337685       1.35811807       0.83821934
O       -0.03813000       0.15662000       7.27687000      -0.18778948      -0.27048649       0.12687231
O        2.97181000       1.70857000      16.83515000      -2.12176476       0.69958526       0.71912471
O        0.14383000       3.31662000      26.44145000      -0.39885699      -0.91056718       0.80063176
O        0.23466000       0.02261000       0.68761000      -1.58018831       0.97479103      -2.81807141
O        2.79646000       1.47869000       9.96207000       0.46364541       0.24296035       3.10922903
O       -0.03557000       3.25582000      19.53924000       0.11143738       0.99517546      -0.47078196
O        0.00207000       1.63903000      16.99266000      -1.50055254      -0.92809063      -0.50480040
O        1.59427000       4.12400000      16.80847000       0.35572166       2.02384183       0.45962432
O       -1.70917000       4.25136000      16.81559000       0.20953764       0.52851459      -0.21513635
O        3.07279000       3.34355000      26.44922000      -0.27444972      -1.37930403       1.04836378
O        1.79509000       0.78715000      26.65659000      -0.91775582       0.74158034      -0.61227827
O        4.38867000       0.77839000      26.72829000      -0.24544119       0.87636395      -1.23192873
O        2.87865000       0.03492000       7.39737000       0.47746468      -0.52557922       1.03073810
O       -1.44093000       2.76857000       7.26151000      -0.52276256      -0.10870595       1.38714299
O        1.27636000       2.74308000       7.39843000       0.63226564       0.40407199       0.63165377
Zn      -2.81035000       4.98952000      27.38313000       0.10162461       0.88519394      -0.52446190
Zn       2.92056000       1.97330000       8.26928000      -0.09319240      -0.09342461      -3.69804296
Zn      -0.05330000       3.49882000      17.51140000      -0.27781479      -0.26844625       0.78534730
Zn       0.10847000       0.02416000      23.56979000      -0.16153237       0.10726483       0.31809150
Zn       2.75693000       1.88544000       4.49778000       2.42193399       0.36081252      -0.44479113
Zn       0.01445000       3.27220000      13.85564000      -1.52348957       1.11159268       0.96143008
Zn       0.06505000       0.10202000      13.53107000      -1.31487659      -0.53109708      -0.62846825
Zn       3.04580000       1.84393000      22.89272000      -0.32052502      -0.79789814       0.47276814
Zn       0.08492000       3.52910000       3.70216000       0.06880594      -0.16522223       0.45698758
Zn       2.68637000       5.09959000       9.18348000       0.91660263      -0.93146018       0.03161656
Zn       2.82003000       1.74032000      18.95968000       0.86051330      -1.55578528      -0.81229559
Zn       0.27473000       3.41507000      28.37619000      -1.18658123       0.54138781       0.40240539
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.01425816 magmom=72.0022536 free_energy=-552.01425816 stress="-0.033700827186605276 -0.0012578937576767815 -0.0009697347157794702 -0.0012578937576767815 -0.04340218608687365 -0.0017683742436494303 -0.0009697347157794702 -0.0017683742436494303 -0.04216554209002723" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.22954000       0.79933000      15.82475000       3.33988131       1.39046779      -1.05003069
Cr       4.23958000       0.76004000      15.91122000      -0.35224726       0.63938033      -0.58021865
Cr       3.01393000       3.45900000      15.59645000      -2.53451395      -0.86110499       2.53628784
Cr      -1.49749000       2.60100000      25.47577000       1.85514800      -1.79146729      -1.72331122
Cr       1.62404000       2.47733000      25.33649000      -2.00818746       0.08752293      -2.72163924
Cr       0.13869000       5.05438000      25.60122000      -1.43344635      -1.41751075      -4.32181222
Cr       1.41049000       4.33852000       6.27450000       0.46519581       1.78335204      -0.58682047
Cr      -1.44062000       4.48973000       6.35459000       0.10769849      -3.00125756       0.27732020
Cr      -0.00655000       1.80848000       6.26516000      -0.57907559       1.01828225      -0.01482670
Cr      -2.92592000       5.09054000      18.13072000      -1.45987425      -0.21893149       2.87331252
Cr       3.06229000       1.72209000      27.75689000      -0.80239603       0.61052871       0.06311916
Cr      -0.04849000       3.35025000       8.57522000      -1.89682527       1.29484328       2.22659773
Cr       0.06266000       0.16965000       3.93517000      -0.49236153      -0.16969286      -0.88943385
Cr       2.87458000       1.56677000      13.44378000       1.08538271       0.53508629      -0.75904842
Cr       0.01406000       3.33045000      23.08245000      -0.65032254      -0.99926876      -1.19904268
Cr      -0.05116000       1.58556000      20.64925000       0.37878355      -0.84650051       0.49406320
Cr       1.47336000       4.08446000      20.63202000      -1.71902858      -0.16883916       0.85133575
Cr      -1.59471000       4.10224000      20.67938000       3.78440281      -0.27494897      -0.30617752
Cr       3.15062000       3.37240000       1.52879000       0.74752584       4.16043293       1.91077271
Cr       1.68298000       0.93559000       1.60223000      -0.67563530      -1.26063457       0.27107818
Cr       4.62356000       1.06749000       1.51511000       0.61063664      -3.20993485      -0.53123295
Cr      -0.05744000       4.97824000      11.07149000      -0.50752531      -1.30850389       1.29950246
Cr       4.31305000       2.49428000      10.96072000       0.43383873      -0.86086269       3.90108089
Cr       1.42820000       2.29974000      10.95885000      -1.70381805       1.97585594       2.09782655
O        1.44682000       0.54526000      19.50713000      -1.59915146       1.00134749      -0.51763947
O        4.55783000       0.56208000      19.61659000      -0.53063683       1.55007117      -2.02277349
O        2.97349000       3.57014000      19.40943000      -0.65193825      -0.43421660      -0.32268034
O       -1.36096000       2.58621000       0.21318000      -1.53390651      -0.21669730       1.01110974
O        1.81943000       2.52975000       0.56464000      -0.84752289      -0.00677859      -2.25454539
O        3.11262000       0.25677000       0.33920000      -0.00700820      -0.94229804       0.82378753
O        1.16288000       4.10033000       9.90109000       1.52308707      -1.08076146      -0.69164000
O       -1.53189000       4.06454000       9.96979000       0.15907716       1.64455511      -2.27134731
O       -0.14087000       1.83931000       9.87498000       0.59338669      -1.63197763      -1.71031855
O        1.62039000       0.78985000      12.25769000      -2.26059793      -0.71834540      -0.18247802
O        4.19881000       0.77290000      12.20851000       1.34254043       0.03989167       0.66893967
O        2.76395000       3.04769000      12.09654000       0.77528150       0.94306355       1.08832937
O       -1.42457000       2.54048000      21.83490000       0.22918569      -0.92970475       0.05986353
O        1.36402000       2.41392000      21.88840000      -0.49875390       0.49403015      -1.07124328
O       -0.07499000       4.73341000      21.87300000       0.50578135       1.61533838      -1.52256604
O        1.66372000       4.45510000       2.70542000       1.27322012      -0.26853995      -0.16475924
O       -1.33498000       4.51933000       2.79530000      -1.58344850      -0.77168342      -0.19209914
O        0.10209000       1.76366000       2.65466000       1.33148010      -0.35870082       0.62493586
O        1.39477000       0.84924000       5.26683000       0.30488289       2.38833276      -1.72789480
O        4.57405000       1.08957000       5.10979000      -0.44083150      -1.64857784      -0.20392623
O        2.92409000       3.81595000       5.26166000       0.61883943      -1.55881786      -1.69857176
O        4.23992000       2.47251000      14.64066000       1.20903113      -1.46809158      -0.57852560
O        1.61046000       2.38207000      14.70105000      -1.32343783       0.88150672      -0.52291217
O        2.74984000       0.03456000      14.76748000       0.73000282      -0.30104177      -0.10796193
O        1.41975000       4.07997000      24.09397000       0.92405212       0.85694585       2.32090985
O       -1.29341000       4.11448000      24.32580000      -0.19277081       1.12162595       0.47072093
O       -0.03032000       1.75931000      24.24718000       0.13636695       1.16395293       1.86137219
O        2.95151000       4.93377000      21.64057000      -1.05394387       0.77195047       0.84989201
O        3.27062000       1.72864000       2.61235000      -2.21021439       1.20806509       0.34874669
O       -0.16826000       3.26720000      12.03903000       1.14965383      -0.17410912      -0.56540343
O        0.03898000       0.13594000       7.31307000      -1.05975026       0.12870194       0.54845472
O        2.89717000       1.69887000      16.99459000      -0.45910472      -0.29123705      -1.52243190
O        0.18553000       3.26916000      26.41154000      -0.72340558       0.58447977       0.46455529
O        0.04268000       0.03239000       0.50419000       1.61230695      -0.01055120       0.80222122
O        2.98386000       1.51510000      10.13123000      -1.68862147       0.11195800      -3.56185979
O       -0.06521000       3.15938000      19.47616000       0.44063912       0.81023623       0.87431284
O       -0.15081000       1.57997000      16.85389000      -0.29252488      -0.58690889       0.91141551
O        1.65642000       4.20879000      16.91143000      -0.78102118       0.74513530      -0.21988127
O       -1.71654000       4.30493000      16.87384000       1.01181277      -0.05988600      -0.04136533
O        2.90015000       3.29319000      26.43095000       1.04275163      -0.24416238       1.53853746
O        1.61364000       0.93035000      26.42706000       0.64498172      -1.01964414       2.12681873
O        4.33655000       0.84531000      26.60136000       1.12348581       1.42921256       0.28560829
O        0.05407000       5.01635000       7.45481000      -0.53204633       0.80313359       0.58927673
O       -1.46101000       2.73281000       7.28317000       0.48138307      -0.16438762       0.74133919
O        1.32877000       2.74780000       7.39397000       0.39502681      -0.54649370      -0.30126998
Zn       2.97852000       4.99014000      27.24443000       0.54355475       1.19893603      -0.51750496
Zn       2.84384000       2.00816000       8.26773000       1.08682216      -1.21638700      -0.74447722
Zn      -0.10311000       3.41750000      17.52426000       0.53727327       0.05231188       0.53752380
Zn       0.14288000       0.10042000      23.53125000      -0.22019005      -1.89377377       0.10912140
Zn       2.83094000       1.91497000       4.51373000       0.94866586       0.34546011       0.45087724
Zn       0.03231000       3.30795000      13.87437000      -0.05725322       0.25878995       1.34769469
Zn       0.03296000       0.10178000      13.51092000      -0.58400726      -0.25973068      -1.67395122
Zn       2.95033000       1.83410000      22.87995000       0.17133126      -0.88356323       0.12985936
Zn       0.10428000       3.53661000       3.75039000       0.25523532       0.15241331       0.10067866
Zn       2.69836000       5.01933000       9.21232000       0.83286111       0.49870324       0.96808294
Zn       2.71688000       1.79820000      18.96804000       1.17025110      -1.28563194      -0.40647414
Zn       0.29878000       3.36291000      28.32282000       0.03459944       1.06625643       0.54481399
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.9594468 magmom=71.999368 free_energy=-552.9594468 stress="-0.028948650234854312 0.0012161919383313973 -0.0024250369338556263 0.0012161919383313973 -0.04411641581357421 0.009823924813071396 -0.0024250369338556263 0.009823924813071396 -0.03925235239582894" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40377000       0.80612000      15.84399000      -1.94925576       0.85335833      -1.35315343
Cr       4.24869000       0.75646000      15.92245000      -0.41630592       0.87962644      -2.46671479
Cr       2.99036000       3.45195000      15.76332000      -1.00690095      -0.56260581       0.05647965
Cr      -1.48095000       2.59568000      25.44132000      -0.66238248       2.05229643      -0.43673763
Cr       1.51815000       2.40925000      25.19047000      -0.27515590       1.46395094       2.00703411
Cr       3.05765000       0.05503000      25.51915000      -0.52717377      -2.09281465      -2.02822140
Cr       1.45308000       4.39817000       6.21750000       0.40912366      -0.74303185       0.43383525
Cr      -1.40626000       4.37994000       6.39696000      -1.02423731       0.48792656      -1.00640714
Cr      -0.04370000       1.78870000       6.24896000       0.64908121       0.70894527       0.71935932
Cr       2.90025000       5.07078000      18.27271000      -0.22331450       0.88126851      -0.84390868
Cr       3.08692000       1.79195000      27.61566000      -0.88591596      -2.85300940       3.80774558
Cr      -0.02372000       3.36521000       8.62776000      -0.16628791       0.68372218       1.39077302
Cr       0.11268000       0.27147000       3.87092000       0.51749731      -2.88287819      -0.15544983
Cr       2.99326000       1.57781000      13.54891000      -1.96825822       1.77492390      -2.79283370
Cr      -0.06498000       3.32145000      23.12708000       0.21257351       2.35215995      -1.12963080
Cr      -0.02779000       1.46745000      20.66449000      -1.69066694       1.70340097       0.64277979
Cr       1.33725000       4.14313000      20.64364000       0.66126089      -0.02034099       0.61319049
Cr      -1.49383000       4.08044000      20.77678000      -0.19141185       0.45708886      -1.86701100
Cr       3.05574000       3.38258000       1.46168000       1.16638264       2.83679665      -0.22737090
Cr       1.81025000       0.85331000       1.60255000      -3.72150483      -0.36925534      -1.57508892
Cr       4.63764000       0.97088000       1.48344000       0.40737908       0.04203496      -0.43669561
Cr      -0.05780000       4.95268000      11.14634000       0.72353122       1.48558963      -2.21251930
Cr       4.36330000       2.50644000      11.02151000      -1.57530825      -0.40457838       0.16124179
Cr       1.39766000       2.33604000      10.98325000       0.65390352      -0.03421833       1.48891198
O        1.34718000       0.60900000      19.59396000      -0.69362446       0.31312991      -0.54700367
O        4.29459000       0.62367000      19.52903000       1.83631166       0.45519547      -0.42641932
O        3.09363000       3.56876000      19.36383000      -1.43735420      -1.40837042       1.38907837
O        4.37816000       2.56609000       0.22032000       1.13587845       0.04322313       0.44993757
O        1.80608000       2.37833000       0.24076000      -0.54445196       0.87096942       1.58689893
O        3.12686000       0.18181000       0.37866000       1.05897390      -0.56873355      -0.80521826
O        1.28163000       3.99156000       9.98717000      -0.12697186       0.51366990      -0.72576161
O       -1.51724000       4.19671000       9.78737000       2.03126973      -1.47087053       1.40535354
O       -0.14298000       1.77019000       9.78619000       0.26480682      -0.15326861       0.62299264
O        1.66231000       0.72660000      12.25858000      -2.08316316       0.63352190       0.87909802
O        4.20338000       0.87882000      12.30462000       2.05664862      -1.02695865      -0.87463180
O        2.79564000       3.08936000      12.22321000       0.90094665       0.55835253       0.03866422
O       -1.35743000       2.55791000      21.91931000      -1.49096119      -1.68343129      -0.14706894
O        1.12136000       2.52766000      21.82939000       2.37692622      -0.91907556       0.09550995
O       -0.09644000       4.86317000      21.82485000       0.58425086       0.56385051       0.67071549
O        1.93142000       4.47535000       2.53929000      -2.63917593      -0.21517498       1.66629133
O       -1.52573000       4.44551000       2.71216000       1.43562788      -0.84922590       0.44517264
O        0.20602000       1.76347000       2.70017000       0.10523650       0.64345453      -0.79389277
O        1.36845000       0.92777000       5.21975000       1.18686357       0.17408937       0.02614913
O        4.61697000       0.86916000       5.08282000      -1.46886142       0.85878734      -0.02260694
O        3.04133000       3.70610000       5.15438000      -0.15749564       1.24233516       0.34977369
O        4.33404000       2.48374000      14.66198000      -0.45116059      -0.68578785       1.03743873
O        1.63337000       2.49769000      14.69472000      -0.60680944      -0.31895296       0.37555963
O        2.70504000       0.01231000      14.64392000       1.45244752       0.21284652       1.50429451
O        1.40082000       4.15648000      24.22439000       0.12254781       0.26725127       0.17560418
O       -1.30536000       4.19540000      24.43120000      -0.50834765       1.53883424      -1.22683434
O       -0.19315000       1.86692000      24.33395000       2.09295950      -2.22572971      -1.34924435
O        2.87195000       4.88299000      21.70642000      -0.03701573       0.41524038      -0.69110228
O        3.09577000       1.81081000       2.56742000       1.21435031      -0.35757450       0.80338580
O       -0.01543000       3.29629000      11.97887000      -0.53472393      -1.34398672       1.90693726
O       -0.05129000       0.11808000       7.33576000       0.31112564      -0.28095424      -0.51629092
O        2.74687000       1.63188000      16.85611000       1.26415605       1.03847054       1.10109486
O        0.09361000       3.32393000      26.37079000       0.30694686       0.79738282       0.09673673
O        0.12756000       0.07191000       0.45145000       0.61735989      -0.30738597      -0.41439770
O        2.91170000       1.57435000       9.95625000       0.16685980      -0.32173503       2.08590638
O       -0.01175000       3.21906000      19.63752000      -0.60627020      -0.38766653      -1.00394132
O       -0.26351000       1.45680000      16.90395000       2.45715515       1.31128083       1.46379272
O        1.60734000       4.38493000      16.97332000      -0.75082173      -2.66698228       0.61762475
O       -1.59799000       4.33525000      16.90964000      -0.79128365       0.04826473       0.93864641
O        2.86629000       3.21773000      26.51195000       0.04853105       1.62070026      -2.36671665
O        1.56992000       0.93387000      26.48516000       1.16279997      -0.25545549      -0.41518830
O        4.45290000       1.08239000      26.43974000      -0.57040001      -2.61592807       0.87928212
O        0.08098000       4.97433000       7.55301000      -0.35638036       1.12011482      -1.17857695
O       -1.35789000       2.69945000       7.42986000      -0.72994268      -0.20531264      -0.97605314
O        1.34868000       2.74565000       7.31941000      -0.44701730      -0.09589188      -0.10127525
Zn       2.89866000       5.05455000      27.09266000       0.93453850       0.32894290       1.01556631
Zn       2.82499000       1.98230000       8.19527000       0.86905445      -0.93421931      -1.59682148
Zn      -0.12578000       3.33877000      17.56735000       0.86407410      -0.23917967       0.68511145
Zn       0.16087000       0.09540000      23.51813000      -0.57596310      -0.65409649       1.66298151
Zn       2.97603000       1.96965000       4.53841000      -0.01177954      -1.31602484      -0.24091249
Zn       0.04168000       3.35788000      13.96321000       0.06228721      -0.50877551      -0.42296920
Zn      -0.03450000       0.07893000      13.42724000      -0.01065903      -0.57002031      -1.04964883
Zn       2.85968000       1.77700000      22.88834000       0.22482634      -0.41214126      -0.31745057
Zn       0.13275000       3.54999000       3.80924000      -0.28002270       0.04196987      -0.64148167
Zn       2.75078000       4.96666000       9.28181000      -0.11589986       0.91707460      -0.07060048
Zn       2.68255000       1.78039000      18.93976000       1.06614467      -0.77543809      -0.55228623
Zn       0.30602000       3.36826000      28.30600000      -1.30200087       0.54503925       0.70918872
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.04512035 magmom=71.997007 free_energy=-552.04512035 stress="-0.037947116136073884 0.004343710643165566 -0.003945227921777948 0.004343710643165566 -0.030680886864679933 -0.0036543205499257277 -0.003945227921777948 -0.0036543205499257277 -0.02791488361480902" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46008000       0.84615000      15.82745000      -2.41373505      -0.45761362       1.00296520
Cr       4.28001000       0.78086000      15.86013000       3.15173459      -0.89271489       2.54926463
Cr       2.89362000       3.42901000      15.96809000       0.40989962       0.46370723      -1.11371011
Cr      -1.51107000       2.63255000      25.44373000       1.02544050       0.99387383      -2.51278639
Cr       1.42279000       2.42919000      25.17376000       1.78409339       1.83053078       2.53379112
Cr       2.98638000       0.09407000      25.36694000       1.54122905      -0.20037287      -0.48067750
Cr       1.50222000       4.40882000       6.18941000      -1.16555371      -1.44313875      -0.05665438
Cr      -1.42008000       4.27846000       6.38809000      -0.31353377       2.75633553      -2.00596637
Cr      -0.04128000       1.81343000       6.26166000       0.65093232      -1.09372761      -1.89170440
Cr       2.79152000       5.09255000      18.40321000       1.23591118      -2.02681550      -3.33237799
Cr       3.09063000       1.72868000      27.57292000      -0.70205078       0.06683813       3.24007713
Cr      -0.00881000       3.41537000       8.73746000       1.54059897      -1.47429330      -3.75940556
Cr       0.18657000       0.21772000       3.79401000      -0.04767051      -0.37808129       1.45514344
Cr       3.01521000       1.67915000      13.48687000      -1.23780179      -0.70560822       0.69339824
Cr      -0.13142000       3.41741000      23.07835000       1.45609948      -0.57859055      -0.20171646
Cr      -0.11371000       1.44566000      20.68744000      -0.90549186       3.48504705       1.14800358
Cr       1.25561000       4.19994000      20.67782000       3.20369325      -0.90787883      -0.72679356
Cr      -1.40833000       4.08052000      20.76668000      -4.33839946       0.33187010      -1.28450347
Cr       3.03425000       3.54772000       1.40385000       0.37722566      -3.60670969       1.19014309
Cr       1.75534000       0.75108000       1.51890000       0.32135313       2.34578319      -0.23425210
Cr       4.68100000       0.85884000       1.41196000      -0.65976282       3.08604199       1.21874212
Cr      -0.02601000       4.99178000      11.13967000       0.48898081       0.21261891       0.56758083
Cr       4.34095000       2.48904000      11.12862000       1.45656024      -0.51930101      -1.39993094
Cr       1.40436000       2.38147000      11.11641000       0.15603131      -0.79815662       0.21413491
O        1.17344000       0.68083000      19.56759000       2.04574081      -0.58479413      -0.04510868
O        4.37088000       0.77675000      19.37450000      -0.63281334      -0.63429235       2.04928938
O        2.95198000       3.44073000      19.54965000      -0.70803532       1.11507071       0.48862795
O        4.34783000       2.52970000       0.31428000       1.13063162       0.11650825      -1.15577916
O        1.74359000       2.36102000       0.16640000       0.64037104       0.51329870       1.11063712
O        3.27625000       0.06726000       0.35492000      -0.69963833       1.02693242      -0.78634207
O        1.37006000       3.92844000       9.94903000       0.01334550       1.39437521       0.84612838
O       -1.21213000       4.10594000       9.88549000      -3.48237598       0.91737602       2.08186953
O       -0.07007000       1.72099000       9.79953000       0.03783207       0.61795659       1.28028896
O        1.41590000       0.78840000      12.32632000       2.50948503       0.16035313      -0.65391284
O        4.44671000       0.86102000      12.24113000      -2.47836480      -0.13498741      -0.29258932
O        2.99000000       3.17802000      12.32511000      -0.87300572       0.59251490      -0.69417335
O        4.44424000       2.36588000      21.96005000       0.45584528       1.66831751      -0.50340292
O        1.20407000       2.52028000      21.78305000      -0.03718219       0.13281356       0.89365810
O       -0.03376000       5.01400000      21.83151000      -1.01103876      -0.67656514       0.59307983
O        1.80646000       4.48534000       2.64186000      -0.82861499      -0.54835899       0.08867696
O       -1.52152000       4.29683000       2.67407000       1.18834098       0.49687301       0.11221366
O        0.32551000       1.74150000       2.61175000      -0.90820024      -0.39311046      -0.64832196
O        1.46505000       1.07742000       5.13473000      -0.86478957      -1.17555131       0.63901776
O        4.49416000       0.78184000       5.03660000       1.63085796       1.35105188       0.02711161
O        3.12282000       3.82022000       5.09823000      -0.86436806      -0.98420288       0.20792040
O        4.29845000       2.35112000      14.82844000       0.36050206       1.94383058      -1.19601132
O        1.59957000       2.53015000      14.74928000       0.55005141      -0.74869349      -0.47363518
O        2.92367000       0.11050000      14.76434000      -0.81565891      -0.67355142      -1.46708660
O        1.38368000       4.24918000      24.39536000       0.04672996      -0.67403883      -2.93740963
O       -1.32763000       4.45843000      24.32095000       0.32584152      -2.89378112      -0.46526921
O       -0.06112000       1.77350000      24.26417000      -1.39680711       1.49245978      -0.58172777
O        2.78920000       4.92697000      21.63515000       1.06104399      -0.47269468       1.34753261
O        3.04523000       1.84343000       2.53384000       0.97444116      -0.66127082      -0.48870416
O        0.01709000       3.17950000      12.14310000      -1.06949924       1.64907751      -0.10287278
O        5.82499000       0.06049000       7.25031000       1.20490332       0.22374463       1.58825935
O        2.84371000       1.71911000      16.82633000       0.38298602      -0.50631869       1.82272546
O        0.00779000       3.51545000      26.29819000       0.07793428      -1.25644210       1.07408888
O        0.30577000       0.06520000       0.41040000      -1.17413373      -0.06559635      -1.33745145
O        2.82970000       1.59045000      10.07496000       1.09403982      -0.11519076      -0.15869596
O       -0.06352000       3.22971000      19.68634000      -0.46684021      -0.06895657      -0.79816924
O       -0.00090000       1.47875000      17.12889000      -0.76354508      -0.91039423      -1.65854052
O        1.45618000       4.19579000      17.05526000       0.98118173       1.35164724      -0.31374293
O       -1.63881000       4.38908000      17.04835000      -0.31475124      -0.52221074      -0.01744410
O        2.83340000       3.32730000      26.27063000       0.49129594      -0.97828545       1.34194312
O        1.71244000       0.88327000      26.48425000      -1.36819002       0.77119417      -0.21823117
O        4.47688000       0.98382000      26.37355000      -2.33009117       0.93204658      -0.10889683
O        0.02406000       5.05975000       7.42816000       0.29244246      -0.10368404       0.82425902
O       -1.32234000       2.67527000       7.42360000      -1.22823006      -0.07918550       0.80722180
O        1.26136000       2.75676000       7.23596000       1.34883574       0.08232406       1.96253809
Zn       5.83619000       0.02097000      26.98928000       2.55111711      -0.97630083       1.56115733
Zn       2.85459000       1.89764000       8.05577000      -0.05546729      -0.92124714      -0.18715012
Zn      -0.10774000       3.25716000      17.64992000      -0.59884341       0.95523627       0.57065300
Zn       0.13578000       0.04734000      23.57058000      -2.54944008      -0.56758802      -0.95778453
Zn       3.12125000       1.96683000       4.55229000      -0.97240405       0.08486344      -1.21677111
Zn       0.04641000       3.38554000      14.04663000      -0.77691227      -0.21968691       0.62773932
Zn       5.79917000       0.02257000      13.31101000       0.64580327      -0.75442681       1.05032945
Zn       2.77834000       1.69968000      22.89183000       0.29806095       0.20522580      -0.08039988
Zn       0.15182000       3.56507000       3.84615000      -0.07235168      -0.34940664      -0.94327418
Zn       2.81682000       4.95773000       9.34915000       1.10664796       0.66240185      -0.85813187
Zn       2.70175000       1.71506000      18.88217000       0.12721038      -0.65157868      -0.33351900
Zn       0.24591000       3.40315000      28.31807000      -1.24771028      -0.64474528      -0.12918225
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.56869747 magmom=72.0050293 free_energy=-553.56984191 stress="-0.03848839209076044 -0.0008804895363506231 0.0009636138675080087 -0.0008804895363506231 -0.03428837694097003 -0.0034310471134294564 0.0009636138675080087 -0.0034310471134294564 -0.03955885982055644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37393000       0.83634000      15.85772000       2.83566981      -1.69594122      -0.49503721
Cr       4.48112000       0.77625000      15.92812000      -1.29890463       1.18491284      -0.70054544
Cr       2.82717000       3.42573000      16.11943000       2.18238315      -1.98863559      -3.41922071
Cr      -1.52737000       2.69687000      25.38140000       1.24817010      -1.13702040      -2.58805399
Cr       1.42344000       2.55313000      25.30892000      -1.02522574       0.76284152      -1.82678578
Cr       2.97966000       0.13172000      25.22870000      -1.03928022      -1.53340052      -1.18367908
Cr       1.48815000       4.34303000       6.18381000       0.12755171       0.81915941       0.82856150
Cr      -1.44540000       4.32713000       6.28404000       0.55265636       0.93871739       0.24101625
Cr       0.01293000       1.80305000       6.20297000       0.29357910       0.59102641       1.66460276
Cr       2.73448000       5.02793000      18.41343000       1.98180247       0.04237255      -0.21794380
Cr       3.07885000       1.66739000      27.62614000      -1.09478779       1.46213518       0.89392589
Cr       0.05458000       3.40480000       8.71359000      -1.40947557       0.30028437       1.97485182
Cr       0.25205000       0.12252000       3.78603000      -1.50315096       0.42631460      -0.71137343
Cr       2.96243000       1.75559000      13.45174000       1.04239568      -1.50495358       2.31729033
Cr      -0.10479000       3.47149000      22.99085000       1.35654406      -2.44531714      -1.56500049
Cr      -0.23927000       1.58467000      20.73218000       2.89613092       0.65811370       0.89006529
Cr       1.36466000       4.21463000      20.67519000      -3.25039448      -0.10006852       3.01104229
Cr      -1.57663000       4.11170000      20.66984000      -0.44584560       1.08036541       1.50221946
Cr       3.06200000       3.50907000       1.40117000       0.63033867      -1.80473354       0.81382395
Cr       1.70648000       0.78791000       1.39856000       1.33637837       0.73206730      -0.06487451
Cr       4.68048000       0.90949000       1.38806000      -0.75863426       0.17770961       0.44709147
Cr       0.02592000       5.04543000      11.16114000      -1.36407027      -1.68167420       0.39540081
Cr       4.39099000       2.45000000      11.16826000       0.91194973       0.84391225      -0.20449513
Cr       1.42334000       2.40141000      11.26016000       0.12533424       2.57875019      -1.40202826
O        1.29838000       0.61425000      19.54251000      -1.69746433       0.26539533       0.10908070
O        4.37479000       0.80253000      19.56895000      -0.36251600      -1.05597813      -0.46641830
O        2.71190000       3.48719000      19.77206000       2.09003650      -1.69022865      -4.03801467
O       -1.42448000       2.50907000       0.24810000      -1.04017888       0.00758811      -0.10151906
O        1.81619000       2.44658000       0.34792000      -0.82607134       0.61314130      -1.11127015
O        3.30478000       0.17086000       0.21903000      -1.07136584      -0.48703984       0.17594814
O        1.36174000       4.08270000      10.02758000      -0.13318595      -0.02941434      -0.55658054
O       -1.35868000       4.07934000      10.21181000      -0.36013140       1.02311146      -3.31408745
O        0.02384000       1.84028000      10.03893000      -0.30400980      -0.95924755      -1.50032629
O        1.62296000       0.88832000      12.30143000      -0.67583404      -1.31054846       1.35078634
O        4.26662000       0.81593000      12.15780000       1.65895491       0.15064716       2.61801020
O        3.02920000       3.28417000      12.29117000      -1.40832527       0.13146340       0.23561561
O        4.43935000       2.51262000      21.88912000      -0.89717372       0.35981096      -0.00311930
O        1.24959000       2.56552000      21.86016000      -0.30412165      -0.08172327      -0.79111937
O       -0.12591000       4.95419000      21.87591000      -0.14225020       1.11785532      -1.77685684
O        1.57802000       4.47269000       2.75423000       2.14666302      -0.38000408      -1.03418612
O       -1.36909000       4.30231000       2.61850000      -0.61331747       0.14889246       0.18362376
O        0.27508000       1.56608000       2.41657000      -0.14682490       0.47279174       1.71441702
O        1.39805000       0.98602000       5.16161000       1.80794973      -0.31226249      -0.46183885
O        4.70816000       0.90296000       5.04216000      -0.74740590      -0.47154294      -0.07942617
O        3.03300000       3.82173000       5.11007000      -0.24595856      -2.26743650      -0.42830930
O        4.26545000       2.47548000      14.84815000       0.66356833       0.31588476       0.07880694
O        1.68708000       2.41203000      14.76722000      -1.46554733       1.12786234       0.21550146
O        3.03029000       0.17580000      14.73499000      -0.67046365      -0.39678886       0.25498385
O        1.30458000       4.19642000      24.09704000       0.55696491       0.40485826       1.44040079
O       -1.29209000       4.23228000      24.17379000      -2.42426267       1.33514267       1.59762786
O       -0.06995000       1.94632000      24.12566000      -0.10682327      -1.86168391       2.01387094
O        2.87187000       4.96600000      21.69976000      -0.37390754       0.70927615      -0.15207162
O        3.18097000       1.75215000       2.37729000      -0.33007673       0.35872214       1.51638733
O       -0.11583000       3.31775000      12.24439000       1.40560851      -0.08385210      -0.13339626
O        0.07956000       0.03886000       7.32016000      -0.77298539       0.52133233       0.00898476
O        3.07543000       1.75893000      17.04622000      -0.54281196      -0.84664408      -1.74351912
O       -0.05754000       3.51696000      26.34813000       0.67109520      -0.12779930       0.28099870
O        0.25349000       0.02398000       0.25457000      -0.48213384      -0.17156743       1.12156742
O        2.92363000       1.60382000      10.24205000      -0.53822880       0.60573470      -2.91798305
O       -0.20791000       3.24199000      19.64364000       1.09669201       0.25217906       0.06013666
O        0.12139000       1.36423000      17.08494000      -2.56059411       1.95345178       0.76801562
O        1.45959000       4.21984000      17.07757000      -0.98549547       1.02742921       0.82681214
O       -1.76457000       4.36727000      17.14452000       1.17012076      -0.81877110      -0.06351441
O        2.84967000       3.32694000      26.26859000       0.32369408       0.44903647       2.33271446
O        1.62917000       0.96897000      26.39551000       0.17839267      -0.01837501       0.51758030
O        4.22912000       0.95431000      26.30792000       2.61985659       0.53186819       0.85481746
O        0.01558000       5.04329000       7.35322000       0.39871796      -0.75651453       0.37628119
O       -1.40646000       2.70585000       7.42756000       1.02185205       0.06427798      -0.61097838
O        1.32240000       2.77795000       7.40981000       0.24210924      -0.43432941      -0.95869779
Zn       0.03286000       0.05819000      26.95392000      -0.50495830      -0.18208540      -0.15559281
Zn       2.88445000       1.76750000       7.90512000       0.15351801      -0.12656419       1.48648320
Zn      -0.11298000       3.21743000      17.75581000      -0.65846940       0.49562493      -0.62228236
Zn       2.94724000       5.08598000      23.59473000      -0.15290456       0.68472162       0.20122982
Zn       3.20962000       1.95307000       4.50193000      -1.03157071      -0.34748324      -1.28961511
Zn       0.01395000       3.39707000      14.15717000      -0.29009587      -0.12697246       0.43302278
Zn       2.81449000       5.04629000      13.23859000       0.54922896       0.23920937       0.18736809
Zn       2.71542000       1.63241000      22.89468000       0.43979632       0.35517782      -0.55371057
Zn       0.16651000       3.56310000       3.84719000      -0.10984005       0.00058520      -0.93474745
Zn       2.94050000       4.98599000       9.38249000       0.55311815       0.50386210       0.37493214
Zn       2.73351000       1.61832000      18.81876000      -0.12168228       0.26542017       2.11344007
Zn       0.12453000       3.41202000      28.32465000       1.01993441       0.14556473      -0.25111841
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.87101877 magmom=71.9967869 free_energy=-552.87102062 stress="-0.03295128104767811 0.0013465468550669295 -0.0012782075417986276 0.0013465468550669295 -0.0504174004109897 0.005416192258296122 -0.0012782075417986276 0.005416192258296122 -0.03451438445805587" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41479000       0.74615000      15.88900000       1.30072442       0.06626459       0.56338647
Cr       4.60003000       0.81200000      15.98559000      -3.61061838       0.18499059      -3.04296573
Cr       2.86750000       3.35451000      16.12344000      -0.09524312      -0.24349829      -2.04352131
Cr      -1.51063000       2.66741000      25.27070000      -0.91043677      -1.36522879       1.86451437
Cr       1.41430000       2.71107000      25.39092000       0.48261283      -0.82370671      -1.27075168
Cr       2.93866000       0.12566000      25.10231000      -0.86892999       0.16562161       1.73199299
Cr       1.47508000       4.31173000       6.21460000       1.73850738       0.32993073      -0.00159115
Cr      -1.43902000       4.41577000       6.20613000       0.01210580      -2.46607897       1.21692706
Cr       0.09977000       1.82899000       6.21804000       0.40273188      -0.15642431       0.89432671
Cr       2.78341000       4.94237000      18.41180000      -0.60659840       1.95610594      -1.14656427
Cr       3.02123000       1.70981000      27.69961000      -0.06991801       1.09198208      -3.46092737
Cr       0.05178000       3.39626000       8.75352000      -1.00968876       0.17033303       0.57948071
Cr       0.23347000       0.04744000       3.76059000      -0.52630892      -0.43651255       0.54049304
Cr       2.95986000       1.74797000      13.56553000       0.58402973       0.13205715       1.37699535
Cr      -0.04479000       3.40540000      22.85626000      -3.41640422       0.63340026       2.60931418
Cr      -0.21579000       1.73541000      20.77454000       0.21339779      -1.90535044      -1.69402645
Cr       1.37869000       4.21276000      20.73549000      -1.82007913      -0.16172279      -0.90507430
Cr      -1.78442000       4.19865000      20.61497000       3.36727621      -0.91636618       0.90603822
Cr       3.13161000       3.36527000       1.44462000      -0.19599928       3.22165978       0.31698096
Cr       1.72332000       0.89070000       1.28185000      -2.17976990      -1.69704014       2.46757476
Cr       4.63771000       0.97263000       1.38740000       0.81919158      -3.44634684      -0.16805268
Cr       0.01069000       5.03999000      11.19788000      -0.90101830       1.95423080      -0.12026256
Cr      -1.42295000       2.46543000      11.17320000      -2.01513127       0.36033000       0.26231468
Cr       1.44678000       2.52435000      11.30770000       0.66125972      -0.40299275      -2.15269768
O        1.14815000       0.63642000      19.55093000      -0.09855499       1.69179895      -0.52249148
O        4.29610000       0.70974000      19.76741000       1.09443102       0.60690201      -1.96315102
O        2.72890000       3.31668000      19.45468000      -0.27125394       1.63152437       1.17315233
O        4.40020000       2.46957000       0.17840000       0.28786795       0.47828947       0.73934564
O        1.74072000       2.60427000       0.34832000      -0.45009499      -0.91263244      -0.67777503
O        3.14525000       0.17707000       0.14497000       0.10368077      -0.47867953       1.24190430
O        1.28168000       4.21472000      10.05162000       1.18268424      -0.75131372      -0.83351397
O       -1.47327000       4.12727000      10.09486000       3.15351827      -1.13356689      -0.04130870
O        0.06311000       1.86302000      10.08812000      -0.34182649      -0.65954999      -1.12660326
O        1.74872000       0.86621000      12.41448000      -2.46062900       0.06860977      -0.61494094
O        4.25609000       0.84636000      12.43318000       1.01686596       0.67094319      -1.22820445
O        2.85349000       3.30594000      12.28048000       1.61701668      -0.53043327       0.60798201
O       -1.52550000       2.73258000      21.80227000      -0.86234650      -1.95201458       1.05407638
O        1.21484000       2.61342000      21.78851000       1.79314359      -1.57345388       0.00932256
O       -0.24847000       4.94986000      21.67301000       0.72893564       0.73557692       1.04964883
O        1.79095000       4.40629000       2.62706000      -0.45859464      -0.71931038      -0.21223960
O       -1.37869000       4.38650000       2.55305000       0.69305243      -0.96203143      -0.00353485
O        0.21890000       1.42744000       2.47752000       0.74376574       2.73220203       0.50984279
O        1.54292000       0.83670000       5.11911000       0.14868449       1.36387585      -0.70966467
O        4.83130000       0.87959000       5.05258000      -1.73366523      -0.41290017      -0.28329610
O        2.89702000       3.54920000       5.08939000       0.89544024       2.14429502       0.61891600
O        4.27930000       2.63191000      14.86683000      -0.61928973      -1.10111195       0.42604682
O        1.58121000       2.42918000      14.84095000      -0.22765772       0.27465790       0.36211452
O        2.98458000       0.19799000      14.75236000       0.20616715      -0.48485542       0.88174329
O        1.24483000       4.17406000      24.03292000      -0.13227852       0.27788747       1.38327381
O       -1.50818000       4.17376000      24.18644000       1.19782004       1.66814505      -0.68826143
O       -0.09392000       1.91921000      24.26922000       1.08737373      -0.69797804      -1.30698842
O        5.80722000       0.01089000      21.70099000      -1.08820933      -0.13536217       0.71375714
O        3.22586000       1.70741000       2.42260000      -1.16158831       0.05084752       0.85836249
O       -0.02583000       3.43367000      12.24665000      -0.04737732      -1.18463153       0.71691913
O        0.14048000       0.10427000       7.37880000      -0.77393689       0.21886712      -0.93948819
O        3.17124000       1.64191000      16.95189000      -2.02668462      -0.08538626       0.74276223
O       -0.03026000       3.46540000      26.34163000      -0.59461680       1.05825204       0.00550414
O       -2.84242000       5.07254000       0.33063000       0.98666409       0.63658897      -0.01286393
O        2.97084000       1.68476000      10.02459000      -0.10894814      -0.31406488       0.62248216
O       -0.17525000       3.32627000      19.71042000       0.10819029       0.65040921      -0.35959482
O       -0.03730000       1.48301000      17.10875000       2.00363052      -0.47245402       0.93398660
O        1.37824000       4.39979000      17.14769000       0.90787154      -1.65485970      -0.24808480
O       -1.70978000       4.25096000      17.17887000       0.07398436       0.68622525      -0.16336092
O        2.90570000       3.33072000      26.56435000       0.21864056      -0.39611143      -1.46356578
O        1.59239000       1.08446000      26.33159000       1.26849907      -0.78380177       0.58397280
O        4.34139000       0.98552000      26.30248000      -0.87724555      -0.19453568       0.08023391
O        0.06545000       4.87553000       7.36111000      -0.43312145       1.47011554       0.49384662
O       -1.29228000       2.76201000       7.32977000      -0.27333320      -1.02485800      -0.05165974
O        1.38147000       2.75791000       7.46230000       0.17662572      -0.40782996      -0.78064871
Zn       0.10853000       0.08272000      26.93411000      -0.79551294       0.03865180       0.80592716
Zn       2.92439000       1.63808000       7.82871000       0.83705778       0.78852727       1.60025643
Zn      -0.15242000       3.21402000      17.82302000       0.17340893       1.14900252      -0.38160620
Zn       2.79949000       5.05291000      23.62422000       1.14642189       1.51550267      -0.16474286
Zn       3.23925000       1.91419000       4.39041000      -0.06527105      -2.06514985      -0.51027273
Zn      -0.02724000       3.40606000      14.28221000       0.61558642       0.54909348      -0.64101855
Zn       2.81526000       4.97796000      13.20016000       0.83029905       0.82688774       0.88759401
Zn       2.67895000       1.58673000      22.88292000       0.49260706       0.29986186      -0.76752899
Zn       0.17767000       3.56183000       3.81375000       0.12380040       0.19802995      -1.07388583
Zn      -2.83102000       5.04956000       9.40361000      -2.19750616       1.17612563      -0.60294776
Zn       2.76117000       1.53380000      18.84322000       0.05504132      -1.02719199       0.31290606
Zn       0.05542000       3.42389000      28.32507000       0.77507367       0.21273455      -0.36654074
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.71133548 magmom=71.9929596 free_energy=-551.71133548 stress="-0.03471374337757407 0.0052054105219908105 0.0040242689141104715 0.0052054105219908105 -0.03929718503104998 -0.00438419831422371 0.0040242689141104715 -0.00438419831422371 -0.03463671254439516" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52567000       0.66569000      15.96259000      -3.05363879       1.54016812       0.68162753
Cr       4.52461000       0.84783000      15.93630000       0.21144739      -1.17907757       1.22290485
Cr       2.89739000       3.30254000      16.06126000      -1.80537970       1.85541616       0.71513151
Cr       4.36293000       2.55320000      25.27123000       0.72105914       1.47327009      -0.68350294
Cr       1.43941000       2.79100000      25.42042000      -0.05030063      -2.40218929      -0.76948279
Cr       2.84399000       0.14629000      25.10377000       0.66966113       0.76833405       1.83317921
Cr       1.54174000       4.30622000       6.25097000      -0.04616353       0.67873304      -0.17412630
Cr      -1.41244000       4.37668000       6.20308000       0.58491153      -0.89961891       0.08561964
Cr       0.20050000       1.85141000       6.27407000      -0.79282040      -1.75627636      -3.19081642
Cr       2.81829000       4.92609000      18.39226000      -1.11961837       3.36344990      -3.27189939
Cr       2.93474000       1.79773000      27.68062000       2.23003239      -1.44145720      -0.34575921
Cr       0.01402000       3.38966000       8.79114000       2.91556336      -1.23734720      -4.14091647
Cr      -2.76630000       5.08878000       3.75187000       1.13966290       1.82277284       1.01148354
Cr       2.98070000       1.71915000      13.73827000      -1.93182637      -0.18722056      -2.65809361
Cr      -0.15286000       3.35334000      22.85895000      -0.39200508       0.80422618       2.04915091
Cr      -0.17567000       1.77024000      20.70926000      -1.77688934      -0.70004185      -0.18102823
Cr       1.29337000       4.23772000      20.72115000       0.54144366       0.29889401      -0.50298989
Cr      -1.83584000       4.27534000      20.57235000       2.31452960      -0.78671742       2.11370613
Cr       3.19000000       3.37827000       1.47899000       0.14295588       0.38827894      -1.42184437
Cr       1.64748000       0.92854000       1.26292000      -1.65615292      -0.50364349       4.35518108
Cr       4.62601000       0.85343000       1.38481000      -0.44090897      -0.04323577       1.35985973
Cr       2.89447000       0.00741000      11.22099000       1.39966660       0.65861450       0.34332674
Cr      -1.43872000       2.50060000      11.18045000       0.01499995      -0.28230745       0.44139011
Cr       1.50614000       2.62324000      11.21644000       0.06935066      -1.78542179      -0.79292126
O        0.99357000       0.93181000      19.50697000       2.28725291      -1.83179195       0.14582011
O        4.41549000       0.70599000      19.61048000      -0.28746646       0.10401174      -0.74252211
O        2.77216000       3.33490000      19.29454000      -0.00467838      -0.12058069       2.87605119
O        4.35145000       2.45985000       0.24739000       0.80093286      -0.37714195      -0.41230367
O        1.60984000       2.58290000       0.22898000       1.22458751      -0.34747897       0.33042761
O        3.03402000       0.10903000       0.29367000       1.22795886       1.27010538      -1.08669641
O        1.35373000       4.20618000       9.98802000       0.84496785       0.35089664       0.63581409
O       -1.11841000       4.05416000       9.97427000      -4.48667238       2.30321359       1.91563326
O        0.02201000       1.82786000       9.98468000       0.37651955       0.32997965       0.75144799
O        1.51661000       0.89267000      12.42171000       1.09680726       0.14707907      -0.59037674
O        4.38321000       1.05735000      12.52826000      -0.90960167      -1.22108268      -0.98529952
O        2.95150000       3.16631000      12.37314000       0.51689575       0.96892562      -0.05097748
O        4.24525000       2.65887000      21.84235000       0.57968261       0.04782031      -0.63317673
O        1.33090000       2.49116000      21.73585000      -1.24441819       1.24767633       0.72130749
O       -0.24948000       5.00334000      21.62957000      -0.13131819      -0.31095014       1.43986333
O        1.97208000       4.27727000       2.47519000      -3.41363250       1.20299702       1.91600444
O       -1.35644000       4.34648000       2.49032000       0.46110094       0.01974239       0.82055963
O        0.24990000       1.65960000       2.63917000      -0.79711277      -0.63482767      -0.85778652
O        1.66307000       0.83608000       5.00433000      -1.59248002      -0.08819249       0.85413211
O        4.67274000       0.74085000       5.02013000       0.89120933       0.60532952       0.24149780
O        2.96573000       3.63880000       5.16198000       1.28104311      -0.91926980      -1.20462143
O        4.20216000       2.53862000      14.95694000       2.08165545      -0.09289315      -0.91321359
O        1.48582000       2.44813000      15.00003000       0.70799373      -0.62675800      -1.00769555
O        2.98136000       0.16863000      14.90570000       0.87373478      -1.14246544      -1.50620173
O        1.14090000       4.19530000      24.21630000       1.22625916       0.16088533      -2.45224541
O       -1.47241000       4.35948000      24.14248000      -0.30688471      -1.74741551      -0.55086778
O        0.02633000       1.83110000      24.25205000      -0.47303643       1.10446583      -0.43645109
O        5.61633000       0.09663000      21.70310000       0.86614710      -0.98451554       0.11756102
O        3.07985000       1.68983000       2.44999000       0.70279711      -0.15476222      -1.54660582
O        0.08149000       3.37366000      12.28631000      -0.92973716       0.81468165       0.09508858
O        0.08434000       0.18185000       7.25509000       0.29438735      -0.98815818       1.12832930
O        2.92077000       1.52391000      16.88725000       0.83530270       0.74172444       2.32277148
O       -0.09836000       3.57611000      26.24837000      -0.42759145      -0.28024797       1.20122413
O        0.16364000       0.02082000       0.43956000       0.17192779      -0.22044779      -2.44436390
O        2.99068000       1.71721000       9.97721000      -0.20537666      -0.22638978       1.37375751
O       -0.13907000       3.48894000      19.75691000      -1.55090210      -0.69027926      -1.30201783
O        0.05146000       1.46621000      17.18967000      -0.49407777      -0.38173432      -0.98957232
O        1.46299000       4.33848000      17.10918000       0.47734374      -0.74012192      -0.51540987
O       -1.64115000       4.27461000      17.13882000      -0.33203176      -0.76366054       0.20358035
O        3.00500000       3.30926000      26.51679000      -0.32724291       1.21767273      -1.03257399
O        1.77253000       1.08368000      26.33600000      -2.72554931      -0.05587044       0.84208694
O        4.32236000       0.97837000      26.29614000      -0.06707056      -0.79575298       0.82160968
O        0.04746000       4.88217000       7.42799000       0.08354318      -0.15500201      -0.04276625
O       -1.19271000       2.66215000       7.23743000      -1.64097822       0.21004635       1.56916906
O        1.42517000       2.70254000       7.37966000       1.09196781       0.17682608       1.31853603
Zn       0.13821000       0.10779000      26.95634000      -0.33764616       0.26965664       0.70806336
Zn       3.00608000       1.55986000       7.83617000       0.43822127       2.04460765       0.99318093
Zn      -0.17844000       3.27005000      17.86301000       1.12892629      -0.10616776      -0.78410108
Zn       2.70665000       5.09821000      23.65039000       0.69088518       0.41820346      -0.37577057
Zn       3.25592000       1.78939000       4.27867000      -0.62329152       0.28061582       1.52810393
Zn      -0.04372000       3.43624000      14.37098000       0.15559052      -0.45158625      -1.03824667
Zn       2.86147000       4.95557000      13.21702000       0.49572277       0.76972308       0.81684098
Zn       2.67322000       1.55850000      22.84761000       0.69146818       0.47217397      -0.11941664
Zn       0.19124000       3.56555000       3.74111000      -0.04244324      -0.58684731      -0.61397077
Zn       0.15750000       0.04278000       9.38893000      -0.45551260      -0.95247771      -0.68173140
Zn       2.78562000       1.40855000      18.90084000      -0.15697870       0.40437554      -0.22165444
Zn       0.02829000       3.44523000      28.30491000      -0.52868093      -0.13616842      -0.62900509
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.99564374 magmom=72.0012956 free_energy=-550.99564386 stress="-0.04520932872171892 -0.003515308897209943 0.0009316059294728164 -0.003515308897209943 -0.035611934339367934 -0.001593210559223759 0.0009316059294728164 -0.001593210559223759 -0.04293529264311182" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49094000       0.66470000      16.08226000       0.51549176       0.68512587      -2.65684358
Cr       4.44306000       0.79875000      15.97066000       0.40159635      -1.17470692       0.62167619
Cr       2.85505000       3.35273000      16.04464000       2.47920365      -2.69440422      -2.26812406
Cr       4.36264000       2.48569000      25.28354000       0.98152933       1.74079378      -1.05302236
Cr       1.46797000       2.73435000      25.41666000      -1.99777004       0.45542017      -2.24407102
Cr       2.77477000       0.20488000      25.22343000       0.98749709      -2.21613521      -0.72262383
Cr       1.63324000       4.32136000       6.27701000      -0.29744350      -1.30598929      -0.28108179
Cr      -1.33080000       4.25567000       6.22944000       0.23432083       0.16818736       0.30063168
Cr       0.25517000       1.78604000       6.18860000      -1.64042234      -0.04411927       0.28018471
Cr       2.84792000       5.02085000      18.28294000       0.95572559      -1.68791124      -0.09355514
Cr       2.93242000       1.80909000      27.67265000       2.61686847      -0.84434361      -0.44893921
Cr       0.09454000       3.34743000       8.66619000       0.03831025       0.98498040       2.49930886
Cr       0.18618000       0.01140000       3.79749000      -0.08930041       0.65844259      -0.02739991
Cr       2.90725000       1.67475000      13.75484000       0.57545798      -0.07259586      -3.38674145
Cr      -0.31133000       3.35295000      22.98163000       3.07621693       0.34378625      -2.70538475
Cr      -0.23217000       1.74321000      20.60519000      -0.27803142       0.51468727       1.48444836
Cr       1.22627000       4.29715000      20.63473000       0.41709155      -1.39693929       0.69929083
Cr      -1.78252000       4.35196000      20.57263000       0.65448272      -1.12461619       3.64787908
Cr       3.22681000       3.43935000       1.41891000      -1.18988217      -0.61228344      -0.83757614
Cr       1.50333000       0.94618000       1.42287000       1.58616849       0.08679867      -0.44420858
Cr       4.59227000       0.69730000       1.43158000      -0.53904722       3.08796745      -1.08577315
Cr       2.89038000       0.13305000      11.27022000       1.44816850      -3.13466049       0.12501675
Cr      -1.45796000       2.53689000      11.21766000       2.00344193       1.54206911       0.28808322
Cr       1.56647000       2.62791000      11.07925000      -1.26679124       0.18069299       3.01997741
O        1.14389000       0.91840000      19.50692000      -1.32430154      -1.37150583       0.35039733
O        4.52567000       0.77332000      19.29343000      -1.01690318      -0.00290601       2.07418391
O        2.78098000       3.44221000      19.62068000      -1.16262947       0.45458982      -1.46389782
O        4.46808000       2.39691000       0.29386000      -0.71596809       0.40232507      -0.34903446
O        1.65571000       2.51362000       0.21867000      -0.39114608       1.51250512       1.04508236
O        3.10767000       0.27601000       0.30990000      -1.25175336      -1.71526697      -1.18922835
O        1.54219000       4.19683000       9.99800000      -1.27049886       0.71709724      -1.09186574
O       -1.28928000       4.26760000      10.05326000       0.60717744      -0.97337036      -1.00063451
O        0.03531000       1.93243000       9.98785000       0.23477901      -0.29204265      -0.45675853
O        1.49733000       0.97916000      12.27807000       0.24737829       0.08697505       1.30925707
O        4.29524000       1.05344000      12.40395000       0.17204920      -2.11428710       0.80178030
O        3.14759000       3.16624000      12.47519000      -2.13310591       1.37005512      -0.03425397
O        4.28126000       2.56657000      21.78341000      -0.48991873       0.05319591      -0.35992850
O        1.13720000       2.59431000      21.80332000      -0.25378384       0.10323084      -0.60962165
O       -0.23298000       4.91284000      21.84187000      -0.44556495       1.29389196      -1.22238015
O        1.69632000       4.32870000       2.62196000       1.48948399      -0.55552036      -0.11856957
O       -1.35593000       4.32291000       2.54620000      -0.70244881       0.82229853       0.26790194
O        0.13899000       1.74161000       2.64074000      -0.34798842      -1.82266462      -0.23234971
O        1.47017000       0.82669000       5.05275000       1.76874001       0.06240347      -0.32204279
O        4.68940000       0.68637000       5.04827000       0.23723955       1.46647009      -0.18828040
O        3.23628000       3.65045000       5.05465000      -1.67552455      -1.94753940      -0.60551582
O        4.34533000       2.36785000      14.93004000      -0.77320177       1.04799246       0.05354877
O        1.57709000       2.32496000      15.00121000      -0.85706440       0.51403353      -0.59268096
O        3.06903000       0.06322000      14.88485000      -1.34343946       1.01442805       0.30009690
O        1.14972000       4.20659000      24.09897000      -0.25633757       0.25590761       1.26732177
O       -1.41531000       4.27422000      24.07992000      -3.09345975       1.00225180       2.16859764
O        0.06424000       1.95706000      24.17605000      -0.71251210      -2.34474624       1.85772039
O        5.56960000       0.00072000      21.64271000       0.95774131       0.97534498       0.21280964
O        3.06631000       1.69002000       2.21862000       0.76420725       0.46661477       3.54879166
O        0.04996000       3.43491000      12.27002000       0.12258825       0.33725494      -0.16575562
O        0.09526000       0.09950000       7.23034000       0.95657591      -0.08488179       0.76619179
O        2.77024000       1.56725000      17.16161000       1.68026700       0.65560837      -2.28729812
O       -0.23501000       3.63176000      26.29473000       1.21784787      -1.04662750       0.36479335
O        0.24505000       0.06915000       0.23696000      -1.06466960      -1.17323751       2.77819199
O        2.98959000       1.70118000      10.21990000       0.38204073       0.43147156      -2.75094684
O       -0.33877000       3.54042000      19.64777000       1.33878260      -0.79963684       0.32879080
O        0.05268000       1.33451000      17.03368000      -1.19233226       2.49030124       1.09217881
O        1.60861000       4.16808000      16.99075000      -3.16604675       1.68634910       2.45515986
O       -1.64959000       4.19625000      17.09787000      -0.03271200      -0.53113095       0.68574200
O        3.03694000       3.46684000      26.21930000      -1.04297683      -0.79426705       2.02430861
O        1.58179000       1.06535000      26.48098000       1.15015171       1.72771944      -0.76763621
O        4.23130000       0.87857000      26.37973000       0.24230745       0.72014357       0.28636399
O        0.04793000       4.84593000       7.44587000       1.02913817       0.93021720      -0.79554047
O       -1.26595000       2.57191000       7.35946000       1.31199231       0.68768065      -0.63955382
O        1.56069000       2.67324000       7.40939000      -0.67231536      -0.21888688      -0.43083309
Zn       0.13848000       0.14649000      27.01780000      -2.36274595      -1.00997979      -0.76566325
Zn       3.12794000       1.58019000       7.91707000      -0.52268803       0.40668770       1.50943726
Zn      -0.14357000       3.33786000      17.85797000       1.33346038      -1.10595652      -2.18840704
Zn       5.59993000       0.07886000      23.65412000       1.47089589       0.19807437      -0.81848177
Zn       3.23644000       1.64962000       4.22529000      -0.78887772       0.63142985       0.30978955
Zn      -0.04766000       3.43474000      14.40115000       0.44935807      -1.94944873      -1.89548587
Zn       2.94790000       4.97901000      13.28765000      -0.05452830       0.70645438      -0.10918772
Zn       2.70618000       1.55551000      22.80238000       0.04855131       0.89137030      -0.49447159
Zn       0.20628000       3.53854000       3.63378000      -0.36763156      -0.64782107       0.44832548
Zn       0.16440000       0.11573000       9.33831000      -0.52054048      -0.55510412       0.11458794
Zn       2.80926000       1.28689000      18.96337000       0.40961759       2.05582954       0.87342233
Zn      -0.01955000       3.46467000      28.24573000       0.71036133       0.73837778      -0.05962126
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.71610063 magmom=72.0030652 free_energy=-549.71610063 stress="-0.04946427658545447 -0.007564359292640604 -0.006423934562758039 -0.007564359292640604 -0.04126274125569865 9.728476122824224e-05 -0.006423934562758039 9.728476122824224e-05 -0.05037779294875603" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41218000       0.70813000      16.11222000       1.44728207       0.96782595      -2.57676689
Cr       4.39223000       0.66891000      16.08086000      -1.34229569       2.68074913      -2.65259461
Cr       2.89027000       3.32616000      15.98436000      -0.36649148      -1.52420243      -1.59591020
Cr       4.37410000       2.51768000      25.30469000      -2.29357956       1.53399956       0.42395063
Cr       1.41762000       2.68067000      25.32430000      -0.59432501       1.65820719      -1.56525632
Cr       2.76692000       0.15771000      25.35251000      -0.84857302      -1.60304560      -1.36615747
Cr       1.72179000       4.27123000       6.28102000       0.81641803      -0.97833047      -1.37539476
Cr      -1.23144000       4.12341000       6.25447000      -0.93723204       1.50673126      -1.96611385
Cr       0.22293000       1.71166000       6.10652000       0.76060635       1.17761385       2.62701068
Cr       2.93445000       5.04393000      18.16024000      -1.98845034      -1.20971688       3.64585136
Cr       3.05442000       1.80740000      27.63571000      -1.96977225       0.92423044       1.40164522
Cr       0.21444000       3.36547000       8.62967000      -0.22830224       2.00163192       1.30244238
Cr       0.18254000       0.07277000       3.85913000      -1.00608791      -2.71804327       0.57285977
Cr       2.85726000       1.63092000      13.56132000       2.73348128       1.01208084       1.99550109
Cr      -0.34956000       3.39123000      23.01897000       0.03929338       0.81417062       0.05374232
Cr      -0.31713000       1.73611000      20.57324000       1.78934408       0.16805754       0.39717464
Cr       1.19282000       4.29857000      20.57705000      -0.38789117       0.34976945       1.58157241
Cr      -1.71301000       4.35256000      20.71088000      -1.38826693      -2.94150859       0.32229465
Cr       3.20514000       3.43641000       1.28782000      -0.68055445      -1.47919742       4.09505243
Cr       1.46725000       0.98706000       1.57162000       2.46518998      -0.01415223      -2.30645717
Cr       4.49593000       0.69434000       1.42661000      -0.99951422       1.30130143       0.03343544
Cr       2.94999000       0.09734000      11.29241000      -0.42461481      -1.11558830      -3.97343534
Cr      -1.38452000       2.65345000      11.28051000      -1.20804217      -0.33585607      -1.12405531
Cr       1.56762000       2.64711000      11.08065000       0.30004218       1.35364345       1.32962183
O        1.13383000       0.66821000      19.52933000       0.53742141       2.25583984      -1.08049607
O        4.55427000       0.79379000      19.30644000      -0.73941894      -1.05009125       0.12600404
O        2.64141000       3.56940000      19.75799000       1.67322238      -1.57212858      -3.12670522
O        4.46515000       2.36419000       0.27454000       0.24326059       0.54477454      -0.64010220
O        1.67746000       2.65671000       0.38628000      -0.15604203      -0.71368373      -0.98185559
O        3.03875000       0.23462000       0.13226000      -0.76418644      -0.15534090       1.26358849
O        1.47502000       4.23684000       9.88885000      -0.34581869       0.43023442       0.37777438
O       -1.37121000       4.33035000      10.09417000       1.18200728      -1.02653129      -0.25262241
O        0.09594000       2.05583000       9.99073000      -0.61271204      -1.93999126       0.09691935
O        1.61774000       1.08061000      12.30875000      -2.05435458      -1.18309160      -0.24590476
O        4.24186000       0.76012000      12.39946000       2.34388145       2.33035925       1.20522273
O        3.00345000       3.32544000      12.50094000       0.18886761      -0.95858447      -1.11495120
O        4.29983000       2.54536000      21.68075000      -1.95885419       0.46042779       1.80517538
O        0.83017000       2.77340000      21.73224000       3.13365253      -1.56860066       0.31780592
O       -0.29784000       4.96116000      21.86610000       0.27239880       1.27140334      -0.25877697
O        1.65257000       4.41490000       2.76114000       0.46818044      -0.89711851      -1.02959686
O       -1.53430000       4.45611000       2.62394000       1.87301598      -1.03830659      -1.03250622
O       -0.04371000       1.46002000       2.57644000       0.41768345       2.72944007       0.61499290
O        1.52441000       0.77220000       5.09081000       1.46019801      -0.47213494      -0.48740705
O        4.80233000       0.83199000       5.10727000      -1.40909458      -0.93450708       0.04821342
O        3.28974000       3.40058000       4.88366000      -0.54948527       1.55013209       1.98522727
O        4.33240000       2.29915000      14.90678000      -0.76026713       0.62770631      -0.30159371
O        1.58774000       2.27307000      14.87731000      -1.13106603       1.18439728       0.23501230
O        2.93050000       0.13795000      14.89219000      -0.68112745      -1.73463436       0.11485969
O        1.07709000       4.23162000      24.15568000      -0.21850472       0.69526195       0.02311916
O       -1.74408000       4.22248000      24.27953000       2.11816543       0.10308182      -0.40223331
O       -0.05981000       1.84899000      24.35121000       0.21792320       0.50390115      -1.17372727
O        5.66528000       0.06546000      21.58065000      -1.13023787       0.42624741       2.13945863
O        3.16631000       1.76761000       2.44418000      -1.18046853      -0.26569750      -2.64470057
O        0.01741000       3.55902000      12.19633000       0.77640539      -1.58162437       1.72675438
O       -2.68117000       5.06709000       7.30304000      -0.22441277       0.34213675      -0.57374104
O        2.94181000       1.73439000      17.06266000      -0.72641579      -1.77843012       0.61307736
O       -0.17032000       3.48881000      26.31382000       0.44054896       0.28840938      -0.36962573
O       -2.82380000       5.04912000       0.45725000       0.18283777       2.14094223      -2.14650407
O        3.05438000       1.75523000      10.14222000       0.25111913       0.19737887      -0.49756696
O       -0.36401000       3.43724000      19.61796000       0.89538697       0.58069332      -0.39564639
O       -0.10504000       1.60564000      16.99642000       1.17499875      -2.11715332       0.82174068
O        1.38032000       4.19379000      17.12972000       3.65963607       0.82901830      -0.97787497
O       -1.69111000       4.04213000      17.11018000       0.13187545       2.32377742      -0.09113342
O        2.89323000       3.47715000      26.21544000       0.58495243      -0.90391449       2.25577283
O        1.51128000       1.28766000      26.50973000       0.56547170      -2.62715250       0.84272251
O        4.20162000       0.87914000      26.44084000       0.88559927       0.46072182      -0.79394997
O        0.24176000       4.88110000       7.31690000      -0.28377536       0.99497296       0.65178775
O       -1.09365000       2.62491000       7.40635000      -0.43251822      -1.38362816      -0.29809513
O        1.55190000       2.62504000       7.36872000       0.43516743      -0.45302928      -0.09503488
Zn       0.02956000       0.14483000      27.06527000      -0.11793374      -0.41142398       0.26660533
Zn       3.23988000       1.64382000       8.08197000      -0.71882636       0.14124476       0.48379807
Zn      -0.03623000       3.35009000      17.75072000      -1.55564640      -1.28223743       0.87795234
Zn       5.60582000       0.18146000      23.61717000      -0.09378933      -1.77519351      -1.23447151
Zn       3.17305000       1.52831000       4.20133000      -0.08434691       0.31432406       3.05508138
Zn      -0.02597000       3.34305000      14.33590000       0.14746852      -0.03778933      -0.75399038
Zn      -2.86029000       5.04812000      13.37590000      -0.56931467       0.57656864       0.09527769
Zn       2.75362000       1.59897000      22.74699000      -0.01569276       0.78583492       0.21095616
Zn       0.19562000       3.46707000       3.54257000      -0.89971355      -0.39426996       0.72765997
Zn       0.13671000       0.16344000       9.27036000      -0.42919314      -0.33454939       0.49333579
Zn       2.83692000       1.26591000      19.06297000      -1.08809210       2.34718895      -0.92793277
Zn      -0.03624000       3.51757000      28.18721000       0.98229908      -0.37595245       1.17283785
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.83401155 magmom=71.9989214 free_energy=-550.83401155 stress="-0.03961782518603083 -0.008586574970199441 -0.005610118037742872 -0.008586574970199441 -0.03907297436954337 0.0011884530240175628 -0.005610118037742872 0.0011884530240175628 -0.04410943509131499" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35264000       0.77382000      16.07557000       1.79105330       0.37049180      -3.63039471
Cr       4.33567000       0.66793000      16.09885000      -0.97242076       1.90281696      -4.71026781
Cr       2.91997000       3.25751000      15.89421000      -0.72043982       1.15347078       0.02745804
Cr       4.23923000       2.62227000      25.40995000       0.17655663      -0.39849734      -1.15051582
Cr       1.36671000       2.68396000      25.19199000       1.43563492      -1.26503098       1.45815436
Cr       2.72613000       0.05002000      25.44669000      -0.35359118       1.09865222      -0.79479956
Cr       1.82814000       4.16379000       6.22590000      -1.08903221       0.37772845       0.41456478
Cr      -1.17596000       4.07387000       6.18352000       1.11320633       1.39307408      -0.04900613
Cr       0.23251000       1.69980000       6.16885000       2.08711965      -1.05220469       0.11614329
Cr       2.92329000       5.03603000      18.09297000       0.43821335      -0.99921891       6.93258821
Cr       3.07604000       1.85227000      27.64393000      -2.93788288      -2.22858778       1.71960151
Cr       0.30216000       3.46353000       8.65741000      -1.86134382      -0.95358169      -1.19868925
Cr      -2.81603000       5.10101000       3.91474000       0.85855468      -0.49038919      -1.69670509
Cr       2.94531000       1.63894000      13.46851000      -0.86768066      -0.60555370       2.04780016
Cr      -0.34101000       3.47114000      23.02579000       0.16450730      -0.11212401       0.17046636
Cr      -0.30958000       1.74348000      20.58509000       1.38140228      -0.47592554       0.45638368
Cr       1.17998000       4.28171000      20.59669000       1.88161270      -0.48574731       0.64075948
Cr      -1.75219000       4.22659000      20.82600000      -2.05524716       1.82439667      -3.92264387
Cr       3.14339000       3.37188000       1.31412000       0.11609729       4.10577892       2.47660793
Cr       1.54741000       1.02401000       1.57021000      -3.03741770      -1.65835756      -2.43485083
Cr       4.36792000       0.78277000       1.40730000       2.75898862      -0.70573806       0.33252082
Cr       0.06134000       5.10642000      11.14786000       0.63760910       3.00968365       1.42148217
Cr      -1.36659000       2.74276000      11.28235000      -0.77660371      -3.37686552      -0.64461352
Cr       1.56212000       2.72013000      11.16181000      -0.52721522      -1.97736617      -0.73437279
O        1.10890000       0.71925000      19.47505000       0.09769915       0.17822951       1.16208743
O        4.50565000       0.63295000      19.41860000      -0.83512873       1.11946324      -0.56815060
O        2.69480000       3.49110000      19.40742000       0.50009117      -0.39276358       1.49398685
O        4.47829000       2.42501000       0.19747000      -0.35618240       0.16288911       0.50395568
O        1.65684000       2.65978000       0.39985000      -0.36669946      -0.63962896      -1.39775248
O        2.84651000       0.22675000       0.17261000       0.88346534       0.57618190       0.83618526
O        1.35098000       4.34415000       9.90786000       2.44075945       0.24566348       1.14088991
O       -1.18489000       4.18037000      10.08754000      -1.10221021       1.13947557      -2.17909450
O        0.09593000       1.93723000      10.01219000       0.26380342       0.63315725      -0.13033861
O        1.51931000       0.99703000      12.29908000       1.01075308      -0.47227283      -0.78799174
O        4.44114000       0.86381000      12.50456000      -0.84640126       0.75495986      -1.41245665
O        2.90843000       3.27892000      12.32881000       1.89021177       0.76758981       1.13073526
O        4.13198000       2.61830000      21.81669000       1.85813956      -0.01261439      -0.10218425
O        0.98652000       2.71948000      21.72873000       0.08937684      -0.36526058       1.19726076
O        2.61179000       0.01536000      21.78649000       0.58500992      -1.40754686       0.15071389
O        1.75262000       4.37341000       2.69201000      -1.01827191      -0.91884566      -0.55594446
O       -1.46912000       4.45258000       2.55634000       0.50164244      -1.02658067       0.46469179
O       -0.08166000       1.53607000       2.61970000       0.77546306       0.84962565       0.60720410
O        1.71855000       0.59420000       5.07597000      -2.48198992       0.13646323       0.20250424
O        4.75651000       0.79692000       5.18684000       0.03028002      -0.76829547      -0.77769882
O        3.22720000       3.44277000       5.07699000       0.00600471      -0.41354945      -0.61678872
O        4.14729000       2.32099000      14.83232000       2.07935933      -0.07881378      -0.41214651
O        1.50006000       2.37018000      14.80914000       1.03204059      -0.48543175       0.58986675
O        2.70355000       0.01497000      14.91854000       1.57971543      -0.19826594      -0.69867452
O        0.94025000       4.32941000      24.21012000       1.95942969      -0.12289968      -1.58284721
O       -1.70985000       4.23533000      24.42217000       0.30350516       1.13075081      -1.53489062
O       -0.18432000       1.88214000      24.35517000      -0.16230029       0.88303977      -1.67590537
O        5.61439000       0.17661000      21.74911000      -0.08038000      -1.58572293      -2.30551740
O        3.05698000       1.77674000       2.34543000       0.41233221      -0.01148280       2.52687306
O        0.09993000       3.46837000      12.30546000       0.08467614       0.51986191      -0.72134986
O       -2.55654000       4.98256000       7.25196000      -0.83283195       0.53159070       0.66707083
O        2.96162000       1.61558000      16.93368000      -1.45702600       0.00030779       2.28132096
O       -0.04505000       3.39966000      26.24241000      -0.93096320       0.64330256       2.01240077
O        0.03460000       0.07103000       0.49144000       0.42537150      -0.32650529      -1.27066195
O        3.13837000       1.86160000      10.05695000      -0.83668085      -0.36005212       2.31143256
O       -0.21654000       3.42673000      19.61357000      -1.23206332       0.29189553      -0.23355391
O       -0.08472000       1.53217000      17.07329000      -0.44859656       0.33323465      -0.26733796
O        1.60169000       4.26921000      17.12818000      -1.60397501      -2.56637698      -1.47086838
O       -1.64725000       4.20725000      17.02638000       0.56084219      -0.46747833      -0.11398349
O        2.80923000       3.32041000      26.54435000       0.18060969       1.94257930      -1.60264337
O        1.58877000       1.17020000      26.53032000      -1.07618368      -0.67829530      -0.46368597
O        4.27750000       0.94232000      26.34029000      -0.85907591      -0.26486083       0.55882928
O        0.40597000       5.01620000       7.27488000      -0.93932910      -0.95853771       1.07447418
O       -0.92890000       2.55066000       7.36581000      -1.77335988       0.28735553       1.10331473
O        1.55928000       2.55981000       7.31697000       1.20365361       0.27711892       1.10676706
Zn       5.80572000       0.11335000      27.11721000       1.03943931       0.11728412       0.61497426
Zn       3.30898000       1.70722000       8.24765000      -0.22580551      -0.25108538      -2.28752655
Zn       0.01966000       3.31977000      17.67002000      -0.61764946       0.47543570       0.38461530
Zn       5.61924000       0.19712000      23.53795000      -0.03301218      -1.18163242       2.06355682
Zn       3.11699000       1.44470000       4.29351000       1.34547811       1.49779526       0.10816469
Zn      -0.00597000       3.25005000      14.23195000      -1.38574328       0.88534843       0.12322448
Zn       0.15046000       0.02938000      13.47314000      -0.68374969      -0.08906210      -0.04605027
Zn       2.78821000       1.68594000      22.72344000      -1.50695141       0.32434890       1.53801027
Zn       0.14011000       3.37560000       3.49624000      -0.19648422       0.15080397       0.21881391
Zn       0.08585000       0.19207000       9.21867000       0.46800134      -0.76609710       0.18315795
Zn       2.81942000       1.36888000      19.12607000      -0.33974776       2.08366597      -1.06150727
Zn       0.00035000       3.54793000      28.18250000       0.97995790      -0.58036465       0.67279701
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.97917021 magmom=71.9991431 free_energy=-552.97917021 stress="-0.03116232717530864 0.005698207701621207 0.010873935222760181 0.005698207701621207 -0.028571465408815434 -0.0006900926874391201 0.010873935222760181 -0.0006900926874391201 -0.03451280203576417" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33590000       0.80024000      15.94203000       1.01982231      -0.82101158      -1.06847244
Cr       4.28733000       0.75237000      15.95369000      -0.25256315      -1.41534029      -0.42502278
Cr       2.92611000       3.27297000      15.84443000       1.82480014       0.17132613       0.43384397
Cr       4.08809000       2.68646000      25.52225000       3.44843573       0.53108449      -4.05691806
Cr       1.37615000       2.63169000      25.15993000      -1.17410278       0.11959309       1.14973293
Cr       2.69913000       0.01657000      25.49119000       1.81766419       0.40272932      -2.66833163
Cr       1.84329000       4.08754000       6.22656000      -1.43239860       1.37976848       1.55333020
Cr      -1.08138000       4.10086000       6.13037000      -0.35854438      -0.07849154       1.91879289
Cr       0.34522000       1.64981000       6.27228000      -0.60606317      -1.22757802       0.01388768
Cr       2.90648000       5.00538000      18.20611000      -0.55613823      -0.56092817       0.27586976
Cr       2.97578000       1.81796000      27.71601000      -1.67401014      -0.79194781      -0.43525266
Cr       0.29400000       3.50901000       8.64936000      -0.20519016      -1.63245654       1.82378103
Cr      -2.82646000       4.97907000       3.86209000       0.32560301       0.53445364      -1.38821725
Cr       2.99978000       1.62661000      13.49934000      -1.67596787      -0.54678342      -0.66253078
Cr      -0.30997000       3.55161000      23.02431000       0.92920032       0.99692778      -1.43264223
Cr      -0.22023000       1.73048000      20.62407000      -0.94681285       0.48789431       0.83592033
Cr       1.24578000       4.23034000      20.64677000      -1.75016753      -0.84110449      -0.51279897
Cr      -1.89056000       4.19678000      20.70917000       3.69458151       0.55472471      -1.12387928
Cr       3.07906000       3.46558000       1.43735000       0.22161005      -0.12005943      -0.57830158
Cr       1.47420000       0.97747000       1.44729000      -0.89158609       0.16729727       1.53048514
Cr       4.38706000       0.85054000       1.39904000       1.66986870       0.53501458       1.98587717
Cr       3.07870000       0.06199000      11.07137000      -0.55388441       0.38000569       1.62287245
Cr      -1.38587000       2.66890000      11.22446000       2.01865867       0.45474678      -0.94234655
Cr       1.55291000       2.68441000      11.21942000       1.16730766      -1.34003755      -0.57896369
O        1.06749000       0.79084000      19.60205000       0.63578526      -0.66769940      -0.96619936
O        4.38072000       0.61608000      19.43521000       0.81078592       0.60603149      -0.20575911
O        2.84031000       3.41521000      19.34059000      -0.91094723       1.09629328       1.47789188
O        4.41998000       2.51157000       0.24238000      -0.76758177      -0.00830618       0.35629230
O        1.61063000       2.54007000       0.22626000       0.36226214       0.88976157       1.36838368
O        2.84466000       0.31234000       0.35051000       1.61981561      -1.73026246      -1.61617621
O        1.57879000       4.39583000      10.08144000      -0.40724435      -1.19978283      -1.11876750
O       -1.13204000       4.19810000       9.81351000      -0.35468885       0.80735518       0.44498046
O        0.13937000       1.95838000      10.00403000       0.01517002       0.33251511      -0.63872814
O        1.60598000       0.85091000      12.13661000       0.18876669       0.70464967       1.54376911
O        4.44650000       1.12713000      12.37681000       0.26488064      -2.05923302      -0.04169233
O        3.09692000       3.26548000      12.33360000      -1.08168792       1.02308571       1.73265795
O        4.29706000       2.71107000      21.90951000      -0.93652255      -1.42680012      -1.03109015
O        1.13926000       2.62038000      21.89708000      -0.58389159       0.18661882      -0.92047152
O       -0.27920000       5.00029000      21.72921000      -0.03109850       1.02556536      -0.01721930
O        1.73275000       4.24026000       2.52578000      -0.87000144       1.18788129       0.73905784
O       -1.37637000       4.32123000       2.53298000      -1.25974151       0.60211833       0.01998625
O        0.05031000       1.64339000       2.70049000      -0.44401731      -2.65617809      -1.02059442
O        1.49250000       0.51597000       5.06746000       1.34118107       2.15907726      -0.67858679
O        4.75817000       0.61248000       5.13394000       0.01826736       0.91280174      -0.14601277
O        3.23668000       3.45757000       5.14408000       0.59909910      -1.94317271      -1.72491410
O        4.24773000       2.33900000      14.74649000       0.57190555      -0.09991443       1.15933704
O        1.61058000       2.36872000      14.82930000      -0.90683512       0.08426618      -1.32645251
O       -0.17578000       5.05288000      14.83332000       0.93987024       1.28781684      -0.51574633
O        1.08777000       4.37497000      24.07505000       0.32196150      -0.59408186       1.78744904
O       -1.56338000       4.37356000      24.30708000      -1.74037248      -0.26921700       0.12986609
O       -0.28899000       2.10636000      24.13291000       0.27145694      -2.92674890       2.27677828
O        5.56069000       0.00607000      21.56643000       0.58373874       0.68189695       2.30715797
O        2.98663000       1.76972000       2.48116000       0.23665056      -0.12227923      -0.05131660
O        0.17924000       3.44913000      12.22962000      -1.24117793       1.07329698       0.13752089
O       -2.59164000       4.99835000       7.24340000      -0.10345816       0.18170014       0.22009656
O        2.77330000       1.45760000      17.08349000       0.97608497       1.09306001      -1.00475910
O       -0.08272000       3.43232000      26.37073000      -0.62073600      -0.34307197      -0.65119200
O        0.02034000       0.18271000       0.37952000       0.00995103      -1.21340746       1.56028091
O        3.07001000       1.85699000      10.30383000      -0.09559182      -0.78051972      -3.23665860
O       -0.25431000       3.46353000      19.64170000      -0.13571137      -0.83260544      -0.55544075
O       -0.13933000       1.47048000      17.03969000      -0.10101114      -0.13727735      -0.01235605
O        1.64006000       4.02975000      16.89492000      -0.95131901       2.68636899       1.46650863
O       -1.52135000       4.28483000      16.92702000      -1.98942100      -0.82321756       1.01135777
O        2.72082000       3.41581000      26.58453000      -0.47386590      -1.01703819      -0.85079003
O        1.46570000       0.96231000      26.47378000      -0.23989019       1.76244428       0.61351551
O        4.20319000       0.94939000      26.32210000      -0.36895687       0.18629359       1.41514316
O        0.38228000       4.93103000       7.39373000      -0.25650538       0.51195822      -1.08837952
O       -0.99604000       2.53194000       7.41155000       0.49511671       0.57182440      -0.33931283
O        1.71063000       2.56928000       7.41674000      -0.25002138      -0.50534621       0.27475549
Zn       5.73913000       0.09370000      27.17474000       0.19869549       0.90910653      -1.24896092
Zn       3.35219000       1.75255000       8.31009000      -0.60611163      -0.33670532      -0.25021456
Zn       0.02646000       3.31243000      17.62955000      -0.60195901       0.24809654       0.76393799
Zn       5.63114000       0.14854000      23.53841000       0.57427952       0.59714049       0.24636166
Zn       3.11748000       1.43116000       4.40827000       0.20607401       0.66117520       0.37526559
Zn      -0.04206000       3.20476000      14.14578000       0.39270214       0.65806030      -0.13235412
Zn       0.17001000       0.11088000      13.55790000      -0.36077251      -0.43444463      -1.32797036
Zn       2.75303000       1.78159000      22.77340000      -0.26528773      -0.42164648       0.16015886
Zn       0.08163000       3.31307000       3.48323000       0.41777670       1.20038565       1.05007009
Zn       0.06720000       0.18060000       9.18710000       1.33939557      -0.24554178       0.54879413
Zn       2.77990000       1.56118000      19.12825000      -0.36885803      -0.48566005      -0.99448940
Zn       0.07779000       3.54687000      28.22122000      -0.12651071       0.01168492       1.25451463
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.74202121 magmom=71.9996622 free_energy=-552.74202121 stress="-0.03185342234897753 -0.002549685076518126 0.0008183350593053418 -0.002549685076518126 -0.04030760004958375 0.0037921175175844885 0.0008183350593053418 0.0037921175175844885 -0.04251567027359785" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36051000       0.75110000      15.80977000      -0.03049397       0.28117702       0.86951839
Cr       4.26973000       0.74308000      15.83602000       1.68953889      -0.82015257       2.40064363
Cr       2.99021000       3.33093000      15.86077000      -1.65930990      -1.33401931      -0.51124386
Cr       4.09564000       2.71774000      25.50215000       1.82528102      -0.44374612      -3.16147319
Cr       1.32193000       2.57163000      25.21648000      -1.88001729      -0.00491740       0.17928581
Cr       2.75479000       0.04826000      25.42359000      -0.33151478       0.43907487      -1.22184116
Cr       1.77763000       4.09195000       6.30967000       1.00330724       0.24648635      -1.54827502
Cr      -1.02614000       4.13128000       6.16813000      -2.20715088       0.04842851      -1.25123746
Cr       0.41817000       1.54755000       6.36798000      -1.70048822       1.60903232      -1.46765677
Cr       2.87559000       4.95449000      18.31629000      -2.10049238       2.32129264      -3.30157254
Cr       2.84333000       1.74891000      27.72483000      -0.50349399       0.75868829       0.70789432
Cr       0.26776000       3.46917000       8.71893000       1.22146611       0.50607737      -1.02701578
Cr      -2.81660000       4.90020000       3.75145000      -0.56658445       0.41681303       3.03356997
Cr       2.97787000       1.60050000      13.49398000       1.87815693       2.11743253      -0.28557168
Cr      -0.24394000       3.63147000      22.97969000      -0.46552791      -2.40896388       1.04206567
Cr      -0.18512000       1.72319000      20.69611000      -1.58248288      -1.62360602      -0.20239030
Cr       1.22331000       4.16279000      20.66384000      -0.03231310       1.54780626      -0.95601354
Cr      -1.81314000       4.23347000      20.52958000       3.95243187      -0.63587144       4.26099145
Cr       3.01699000       3.52460000       1.49651000      -1.31105090      -3.55687170      -0.59428722
Cr       1.39239000       0.92798000       1.38189000       4.38385227      -0.47093970       1.91042393
Cr       4.47855000       0.94279000       1.47031000      -2.19820072      -0.28483190       1.14423497
Cr       3.11274000       0.13994000      11.08887000       0.40772444      -2.63786962      -0.90060533
Cr      -1.32851000       2.61697000      11.12525000      -0.76522077       1.90410407      -0.04805119
Cr       1.59611000       2.58084000      11.23837000       0.50442554       1.76639927      -0.48516371
O        1.10554000       0.76598000      19.56333000       0.60550280       0.49073754      -0.99476423
O        4.42157000       0.69975000      19.44163000      -0.46928878      -0.13253081       0.40873854
O        2.74221000       3.48002000      19.53115000      -1.45184927      -0.26212438      -0.66357287
O        4.24665000       2.58007000       0.34666000       1.19751650      -0.29812602      -1.35926589
O        1.61413000       2.55383000       0.33498000      -0.44448672       0.12465170       0.32908820
O        3.06129000       0.17631000       0.31267000      -1.11302102       1.59143671      -0.20548637
O        1.67590000       4.20464000      10.07697000      -1.06411067       0.80718420      -0.53751040
O       -1.11428000       4.36011000       9.67604000      -0.40688484      -0.18396096       2.08201565
O        0.18476000       2.05206000       9.94123000      -0.54057401      -2.33011314       0.92912569
O        1.76469000       0.89546000      12.23602000      -2.07069998       0.08859490       0.20588912
O        4.41741000       1.05533000      12.23767000       0.96223053      -0.77484544       0.83150288
O        3.15499000       3.33970000      12.56962000      -0.56230788      -0.21769848      -1.64511473
O       -1.51409000       2.63627000      21.79151000      -1.39131906       0.33419195       0.20970203
O        1.10427000       2.59966000      21.86679000       0.48308039       0.31110391      -0.02240419
O       -0.20509000       4.97433000      21.65331000      -0.69636729       1.50027940       0.12257686
O        1.59892000       4.34189000       2.51695000      -0.61512313      -0.28873889       1.09780323
O       -1.52987000       4.31315000       2.51627000       2.11029469      -0.01819367      -0.18756126
O        0.07890000       1.33117000       2.63349000      -0.85858972       3.36631891       0.74915496
O        1.44944000       0.73403000       4.98553000       1.04226427      -1.54136637       0.45635336
O        4.82504000       0.54780000       5.08766000      -0.43884456       0.44153231       0.82719074
O        3.35226000       3.26466000       4.96267000      -0.18141450       2.30043371       1.57835791
O        4.36959000       2.31306000      14.84251000      -0.78510513       1.49150559      -0.88671820
O        1.65021000       2.35908000      14.68711000      -1.01293502       0.49624492       0.31670734
O        2.98052000       0.10346000      14.65573000      -1.86181801      -2.44159498       0.02846530
O        1.20620000       4.24602000      24.24582000      -1.06899846       0.65551142      -0.39400496
O       -1.60662000       4.40993000      24.21906000       0.80803070      -0.93379971       0.74161056
O       -0.32019000       1.98884000      24.23343000      -0.04156046       0.11223980      -0.05161670
O        2.67899000       5.02863000      21.63469000       0.22747728       0.53551608       0.32835036
O        2.99770000       1.76069000       2.56099000      -0.27557593      -0.17861165      -1.25992778
O        0.07621000       3.57035000      12.08131000       0.45933054      -1.15351675       1.29015984
O       -2.66682000       5.03466000       7.25698000       0.42121933      -1.30990349       0.69141708
O        2.74415000       1.50885000      16.97920000       0.76741898       0.90129289      -0.48848532
O       -0.23863000       3.44945000      26.34148000       0.57546472       0.17512892       0.90232853
O       -0.00772000       0.04491000       0.50098000      -0.28637949       0.17577052      -2.69931076
O        3.02440000       1.76255000      10.10077000       0.69482829       0.91673356       1.32790514
O       -0.30307000       3.34253000      19.59908000       0.85472231       0.27795429      -0.89526480
O       -0.20736000       1.45686000      16.94636000       1.48371718      -0.64138238       0.66031129
O        1.51538000       4.18429000      16.83197000       0.52786000      -0.03724817       1.19859288
O       -1.71566000       4.23594000      16.98101000       1.03656732       0.48746606       0.78280898
O        2.55933000       3.39793000      26.40267000       1.14073554      -0.08854955       1.58217990
O        1.34975000       1.05617000      26.44125000       0.92813227      -0.75905383       0.54353798
O        4.07659000       0.98808000      26.49605000       0.66350535       0.23117487      -0.58180100
O        0.31617000       4.85869000       7.34561000       0.73290746       1.44759570       0.26397573
O       -0.95154000       2.63619000       7.40514000      -0.32344368      -1.24010065       0.36836262
O        1.74593000       2.54026000       7.51992000      -0.74658760      -0.20412264      -0.22438605
Zn       5.69360000       0.11444000      27.17858000       0.14112668      -0.06477402      -0.31556910
Zn       3.36486000       1.77515000       8.32906000       0.17800662      -0.19126651      -2.78130158
Zn      -0.00108000       3.31617000      17.63056000      -0.63150149      -0.34354739       0.03155540
Zn       5.66927000       0.13229000      23.56896000      -0.31490535       0.71162678       0.01802022
Zn       3.13743000       1.45202000       4.52509000       0.80620621      -0.31283282      -0.68018176
Zn      -0.05968000       3.20741000      14.06374000       0.75912549       1.06609222      -0.43001656
Zn       0.16670000       0.15866000      13.58083000      -0.49334967      -1.18622995      -1.52592730
Zn       2.69966000       1.84920000      22.84683000       0.57379573      -0.29173672      -0.04339712
Zn       0.04710000       3.30465000       3.51856000       0.33980142       0.09544842       0.13373163
Zn       0.11503000       0.15370000       9.18205000       0.60541052      -0.29420110       0.77884090
Zn       2.73253000       1.71558000      19.07400000       0.79473147      -2.19828585      -1.21175936
Zn       0.14044000       3.54068000      28.31239000      -1.30581104      -0.95633385      -0.31724199
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.88222148 magmom=72.0045127 free_energy=-552.88222148 stress="-0.03310804651706475 -0.0022927559186113923 -0.009680655564837463 -0.0022927559186113923 -0.0321278472746018 0.0022339454174614306 -0.009680655564837463 0.0022339454174614306 -0.03715558626131714" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38196000       0.70655000      15.75353000       0.87195196       0.37877710       0.29290237
Cr       4.35262000       0.69269000      15.83560000       0.02969383       1.43797409      -0.91178502
Cr       2.96970000       3.34581000      15.88029000      -1.98239443       1.04117202      -0.80789023
Cr       4.18469000       2.69703000      25.36180000      -1.78950548      -0.53820298       1.35938274
Cr       1.17658000       2.51887000      25.31717000       0.97910898       1.63435999       1.15703754
Cr       2.79228000       0.13288000      25.32598000      -0.92863805      -0.14039750       1.24234272
Cr       1.75590000       4.11688000       6.32057000       0.55332699      -0.85597308      -0.92267523
Cr      -1.08729000       4.15739000       6.15860000       0.50393044      -0.20037139       0.68900250
Cr       0.39069000       1.52118000       6.38497000      -1.47338309       0.30549887      -1.45261114
Cr       2.76401000       5.01477000      18.31549000       0.12896995       0.95035769      -0.75774444
Cr       2.70796000       1.72007000      27.73006000       1.93654779       2.96980134      -0.45260763
Cr       0.28644000       3.43517000       8.76028000      -0.86189848      -0.20807012      -1.66335971
Cr       3.06883000       4.87751000       3.79440000       0.26554765       2.52942929       0.37362085
Cr       3.04915000       1.68495000      13.47164000       0.33832708      -0.40839362       0.40421962
Cr      -0.20272000       3.58874000      22.97163000      -1.10436740      -1.28854709      -0.40062010
Cr      -0.24929000       1.63075000      20.74854000       0.59841998       0.25492046      -1.26516236
Cr       1.17312000       4.20490000      20.61859000       0.65605332       1.91246853       1.04481654
Cr      -1.54774000       4.26844000      20.48510000      -2.97761288      -0.28212468       1.64113402
Cr       2.91017000       3.39552000       1.49274000       1.15739754       2.54690519      -0.30281850
Cr       1.54956000       0.85522000       1.40728000      -1.99587434      -1.65027602       1.20998224
Cr       4.44656000       1.01555000       1.57762000       0.91101016      -2.12707864      -2.85309573
Cr       3.16105000       0.06615000      11.08681000      -0.19568855       0.22100560       1.13016781
Cr      -1.30023000       2.66782000      11.04101000      -1.03438687      -0.29437147       1.91240464
Cr       1.66765000       2.56943000      11.22392000      -1.26049840       1.17861976      -0.06581358
O        1.22318000       0.75948000      19.36551000      -1.17965027      -0.61852401       1.29685728
O        4.40711000       0.75963000      19.53328000      -1.03857423       0.09183236      -0.66258169
O        2.47312000       3.50526000      19.58935000       3.63511445      -0.33470391      -1.82140562
O        4.24783000       2.58860000       0.26575000      -0.03477363      -0.41804436       0.32299379
O        1.51750000       2.58305000       0.56975000      -0.50180437      -1.12235579      -2.07448838
O        3.07849000       0.29152000       0.24041000      -0.81235474      -1.47122536       1.21614459
O        1.51845000       4.13443000       9.97548000       1.53498384       1.40759190       0.38619581
O       -1.08683000       4.42824000       9.90846000      -0.72749975      -1.85054451      -0.78640925
O        0.14314000       1.85110000      10.01036000       0.29560718       0.87488965      -0.52759335
O        1.65055000       1.01080000      12.35131000       0.35750392      -1.05194982      -1.05505764
O        4.50094000       0.85704000      12.22238000       0.11725126       1.58833146       0.72494273
O        3.08021000       3.32875000      12.47381000       0.35737663       0.19279870      -1.64345118
O        4.26298000       2.63702000      21.68038000       0.48310179       0.48049782       1.23874119
O        1.06765000       2.67524000      21.78599000       0.49717341      -0.58484389       1.13985342
O        2.71389000       0.00602000      21.63810000       0.03625928      -0.55419980       1.24613393
O        1.43209000       4.45376000       2.72033000       1.48667140      -0.85216514      -0.26006640
O       -1.48687000       4.31626000       2.46375000      -0.13360041      -0.85264426       0.69992997
O        0.01876000       1.47987000       2.66756000       1.00175114       0.44101871       0.71546532
O        1.55967000       0.66531000       5.04243000       0.08221953      -0.29812789       0.08512144
O        4.85706000       0.55283000       5.19307000      -0.17148011       1.13503758      -0.19288948
O        3.41198000       3.45966000       5.06640000      -1.63397650      -2.03362920       0.00756950
O        4.29102000       2.46739000      14.83784000       1.05351168      -0.63597451      -0.79969858
O        1.56177000       2.38673000      14.59889000       0.48642224      -0.12746438       1.16969850
O       -0.03975000       5.10030000      14.55407000       0.07520088       0.98055089       1.47900786
O        1.07337000       4.19154000      24.35512000       1.58083776       0.80993377      -2.24851286
O       -1.49809000       4.25090000      24.26377000      -1.16964544       1.37794237      -0.88720224
O       -0.33371000       1.85814000      24.38018000       0.28557459       0.21670999      -2.04161612
O        2.81056000       5.07128000      21.72839000      -0.37119679      -0.41449475      -0.93465676
O        2.95420000       1.72115000       2.39155000      -0.56840944       0.26562129       3.32851067
O        0.04023000       3.50244000      12.08901000       1.29788159      -0.36323800      -0.16404973
O       -2.66399000       4.88236000       7.30908000       0.64647603       0.43973761       0.37386825
O        2.86649000       1.69928000      16.70922000      -0.19783776      -1.85608813       2.42720921
O       -0.30482000       3.51613000      26.38101000       1.11715611       0.11123794       0.71465998
O        2.90033000       5.03345000       0.35703000       0.47010114       1.17232526       2.04096375
O        3.11772000       1.81360000      10.12622000       0.12838362      -0.33660671      -0.72705007
O       -0.20271000       3.25017000      19.50764000      -0.07660653       0.44951047       1.01305396
O       -0.02045000       1.30242000      16.93022000      -0.70148449       2.05144190       0.31751265
O        1.47200000       4.35873000      17.03247000      -0.31858545      -2.21119725      -0.32142984
O       -1.76762000       4.25330000      17.12554000       1.16593302      -0.43840415      -0.86490664
O        2.58596000       3.29832000      26.43313000       0.61364919       0.52821309       0.18467471
O        1.40686000       1.03925000      26.48139000      -0.64520221      -1.51774600      -0.06600394
O        4.07815000       1.08098000      26.51698000      -0.15143866      -0.33804506      -1.05932719
O        0.35908000       4.97797000       7.27626000      -0.55308975      -0.02734668       1.49821640
O       -0.90767000       2.58843000       7.40833000      -1.09398813      -0.21384307       0.14704684
O        1.59068000       2.50254000       7.51989000       1.24010523       0.26618807       0.24765143
Zn       5.65455000       0.13722000      27.14954000       0.02443246      -0.67768994      -0.90218834
Zn       3.37983000       1.78425000       8.20870000      -0.53613675      -0.40495168      -0.84744848
Zn      -0.06386000       3.30577000      17.62940000      -0.19078751      -0.52830646      -1.05820674
Zn       5.70540000       0.15060000      23.60980000      -0.10262679      -1.16663788       0.24868642
Zn       3.20628000       1.47519000       4.61622000       0.65848237       0.68535881      -0.75455075
Zn      -0.03695000       3.26700000      13.96105000      -0.03665141      -0.01659725       0.58359902
Zn       0.13500000       0.14335000      13.53189000      -0.49766513      -0.70957015      -1.24705382
Zn       2.67206000       1.90094000      22.92653000       0.23020311      -0.16734350      -0.73052721
Zn       0.03017000       3.30574000       3.57864000       0.15578823       0.10995601       0.13869878
Zn       0.20006000       0.10876000       9.22174000      -0.20124027      -0.71212571       0.62854882
Zn       2.73118000       1.76350000      18.94695000       1.23541028      -0.62440962      -0.87707932
Zn       0.12713000       3.49381000      28.39625000      -2.03029446       0.48682984      -0.66693450
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.38654934 magmom=71.9962462 free_energy=-552.38654934 stress="-0.032585719709186264 0.0016716967313270637 -0.0019527289185120034 0.0016716967313270637 -0.028475695180984133 -0.0008718339300835216 -0.0019527289185120034 -0.0008718339300835216 -0.02550433428469112" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44348000       0.69039000      15.74329000      -0.33834094       0.77047654       2.08623003
Cr       4.46290000       0.70786000      15.83533000      -1.11498395       1.02750105      -0.27096687
Cr       2.83375000       3.39223000      15.88364000       0.94407033      -0.90758643       0.28665669
Cr       4.17990000       2.64323000      25.28087000      -0.56679713       1.76290663       0.32132359
Cr       1.08330000       2.54704000      25.50412000       2.12382683       1.05273811      -1.79963465
Cr       2.77992000       0.21472000      25.30278000      -0.50821340      -2.56220311      -1.46089958
Cr       1.75434000       4.11382000       6.29492000      -0.63953715       0.11987898       1.40564695
Cr      -1.13208000       4.14747000       6.19173000       0.65634498      -1.48481470       1.78574390
Cr       0.28195000       1.54301000       6.32610000       1.94439872       0.39735916       0.89030840
Cr       5.61155000       0.01680000      18.30081000       2.28327940      -0.55830316      -1.08953189
Cr       2.64991000       1.82513000      27.75927000       2.57137095      -1.62140047      -1.03721360
Cr       0.27278000       3.39502000       8.71266000      -0.45330763       0.07139161       0.63532875
Cr      -2.83129000       5.00198000       3.89890000       1.74507972       0.89021062      -0.27192233
Cr       3.14904000       1.78310000      13.44955000      -2.82437612      -1.43360879      -0.55045713
Cr      -0.23088000       3.46220000      22.94362000      -0.47796612       0.82120378       0.31526023
Cr      -0.29483000       1.54722000      20.71297000       1.79963382       4.03600234      -0.48516489
Cr       1.21207000       4.34216000      20.59371000       1.71390451      -2.44711831       1.80070176
Cr      -1.46487000       4.29384000      20.52033000      -3.99886667      -0.73203845       0.90328016
Cr       2.84766000       3.34633000       1.44581000       0.64294639       1.87132443       2.62522392
Cr       1.64035000       0.70818000       1.48240000      -4.21472073       0.90748625       3.03864289
Cr       4.43389000       0.97685000       1.56163000       1.29047033      -0.74461678       1.02475912
Cr       0.25808000       5.10188000      11.14365000      -0.84541217       2.20629056       0.13240512
Cr      -1.31884000       2.69180000      11.07284000       0.70552851      -3.76307146       1.39661771
Cr       1.67376000       2.61566000      11.17438000      -0.36967414      -2.29379522      -3.21620044
O        1.15138000       0.69138000      19.39307000       0.28414104       1.72308117       0.38145161
O        4.22700000       0.83344000      19.52386000       1.15549647      -0.57545922      -0.43070771
O        2.74803000       3.57081000      19.41136000      -0.19905442       0.06365163       0.98501552
O        4.21580000       2.48781000       0.25395000      -0.71171475       0.17553801       0.43152604
O        1.38351000       2.41188000       0.50382000       1.22593027       0.29625704      -0.54515047
O        2.98837000       0.23201000       0.33474000       1.22387728      -0.61362721      -0.91711950
O        1.52805000       4.29705000       9.91547000       0.59273803      -0.80821951       0.09133576
O       -1.11791000       4.16311000      10.04781000       0.37679830       2.27130699      -2.59058509
O        0.13426000       1.82830000      10.02250000       0.76186533       0.70203223      -1.15639567
O        1.63462000       0.98524000      12.24847000       1.42463596      -0.81431653       0.66030195
O        4.53016000       0.95958000      12.32233000      -0.37904658       0.04408593       0.11263014
O        3.09282000       3.29275000      12.10215000       1.07598940       1.76203472       3.48073117
O        4.28501000       2.72354000      21.77858000       0.09555889      -1.29800317       0.18868043
O        1.09084000       2.70512000      21.84946000       1.03577157      -1.11609466      -0.72556416
O       -0.27240000       5.07476000      21.83367000       1.14362504       0.22229001      -0.53758686
O        1.59903000       4.44446000       2.86370000      -0.42818102      -0.59046483      -1.82353185
O       -1.49537000       4.20555000       2.52430000      -0.70297431      -0.33876206       0.61147559
O        0.07550000       1.66369000       2.77894000      -0.39995994      -2.44544559      -0.88885070
O        1.63723000       0.53558000       5.13765000      -0.28604541       2.11092492      -1.03290894
O        4.88291000       0.69972000       5.29290000      -0.88750902      -0.85577057      -1.08895420
O        3.18082000       3.43673000       5.20440000       0.48158004      -0.70680759      -1.19803008
O        4.29114000       2.56217000      14.71784000       0.85684000      -0.36620523       0.99230269
O        1.58102000       2.37051000      14.73764000      -0.01410604       0.83775887      -1.03608035
O        2.84766000       0.02608000      14.74640000       2.49559663      -0.08615456      -1.56541791
O        1.10757000       4.30501000      24.10562000       0.33113869      -0.37568334       1.88653552
O       -1.51308000       4.27342000      24.21328000      -0.55912754       0.53236970       0.49918077
O       -0.28204000       1.89182000      24.22641000       0.48711236       0.62049020       0.52771991
O        2.86068000       5.04895000      21.58780000      -0.85287942      -0.71849053       1.44694487
O        2.88127000       1.71312000       2.65307000       1.08394738      -0.03330864      -0.83411992
O        0.24118000       3.36125000      12.04525000      -1.21871476       1.63191211       1.46521119
O       -2.57183000       4.78222000       7.36962000      -0.63411659       1.40050315      -0.31179895
O        2.99041000       1.62419000      16.77228000      -0.49227712      -0.06905568       0.68151468
O       -0.16796000       3.60519000      26.47326000      -0.56549171      -0.39952957      -0.44865571
O        5.88045000       0.01548000       0.53542000      -0.38782418      -0.17092096      -1.06518436
O        3.19399000       1.77557000      10.17448000      -0.89305771      -0.94284596      -2.17541930
O       -0.09251000       3.28068000      19.63685000      -0.39187083      -0.00249671      -1.22270518
O        0.09165000       1.44673000      16.94708000      -1.67196265      -0.07018920      -0.30581392
O        1.43389000       4.20949000      17.11492000       0.89976950       0.90655480      -1.94499686
O       -1.66284000       4.26755000      17.06115000      -1.63791022       0.36890184      -0.76031960
O        2.74795000       3.28828000      26.51201000      -1.41943387       0.75269981      -0.38987975
O        1.39464000       0.81120000      26.51549000      -0.13849890       2.22528545       0.22672787
O        4.07564000       1.11098000      26.33479000       0.42127235      -0.94679672       2.18416543
O        0.34265000       4.99687000       7.41879000      -0.51792903      -1.26973003      -0.55502433
O       -0.98277000       2.51921000       7.39645000       0.56641887       0.94738408      -0.27117825
O        1.56328000       2.53295000       7.48520000       0.75867006      -0.16592931      -0.44510853
Zn       5.61190000       0.12186000      27.08108000      -0.33109273      -0.78542655       0.80674675
Zn       3.36446000       1.77050000       8.00511000      -1.77098520      -0.75540931       1.58741931
Zn      -0.14777000       3.25915000      17.58303000      -0.18773070      -0.18756458       0.65386774
Zn       5.73717000       0.10644000      23.66181000      -0.13539760      -1.14107445      -1.35634407
Zn       3.31539000       1.53344000       4.67234000      -1.29399264       0.43025176      -0.92486447
Zn      -0.00506000       3.34064000      13.88129000       0.34759868       0.02492292       1.66574243
Zn       0.07313000       0.08491000      13.41747000       0.28177676      -0.06433682      -0.78908990
Zn       2.65666000       1.94861000      22.98746000       0.10610309      -0.18822852      -1.20700814
Zn       0.02224000       3.32574000       3.67086000       0.45489519       0.78483844       0.65697665
Zn       0.28598000       0.02244000       9.30475000      -0.27053479       0.12035595       0.52887784
Zn       2.78701000       1.76412000      18.75040000      -1.35019428       0.16428171      -0.16727454
Zn      -0.00332000       3.45839000      28.44791000      -1.30819152       0.39642096      -0.50755045
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.79493485 magmom=71.9959371 free_energy=-550.79493485 stress="-0.04456475067296152 0.0073217086229498424 0.0010912609616828583 0.0073217086229498424 -0.043746188129373066 -0.003677452044617927 0.0010912609616828583 -0.003677452044617927 -0.046535719159833594" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50605000       0.72634000      15.82394000       0.10037975       1.23863569      -1.64505169
Cr       4.52383000       0.78111000      15.86442000      -1.28777580       0.41667004      -2.95476762
Cr       2.76248000       3.40399000      15.89431000       3.38452193      -2.07359000      -2.32096428
Cr       4.12025000       2.65526000      25.25301000       1.26324956       0.32472008       0.58744316
Cr       1.14709000       2.61874000      25.64428000       0.52390212       0.74921073      -4.39348965
Cr       2.73601000       0.18258000      25.25319000       0.81931178      -0.67220688       0.61261492
Cr       1.72386000       4.11531000       6.33951000       0.13341422       1.23023721      -0.45775433
Cr      -1.13819000       4.09078000       6.30551000      -1.88665968       1.99932786      -2.64240379
Cr       0.26888000       1.59267000       6.30288000       1.88822161      -0.25479447       0.10890032
Cr       5.61589000       0.10400000      18.25478000       2.26196416      -1.40023205      -0.33314050
Cr       2.71450000       1.88298000      27.75006000       1.55905173      -3.92653386      -0.16713555
Cr       0.24103000       3.35719000       8.67822000       1.31715922       0.82906325       0.24533286
Cr       0.19838000       0.05607000       3.96779000      -0.46933748      -4.09125933      -0.12507626
Cr       3.09703000       1.81575000      13.42895000      -1.31528368       0.02682163       2.81202558
Cr      -0.25544000       3.39784000      22.93370000       2.60132841       2.13558794       0.73522228
Cr      -0.23500000       1.66404000      20.62281000       0.73946716       1.34825996       1.46840211
Cr       1.35511000       4.34893000      20.62809000      -2.30498609      -2.98829610       0.32484586
Cr      -1.60688000       4.28861000      20.61586000       1.42055900      -0.00413488       0.67224439
Cr       2.83286000       3.38849000       1.48904000      -0.14260816      -1.35167540       1.97023881
Cr       1.52802000       0.61882000       1.65694000       1.19964801       2.34454615      -0.95334488
Cr       4.49038000       0.87717000       1.58195000      -1.86692673      -0.23959418       1.09191864
Cr       3.22533000       0.03871000      11.19767000       0.20518049      -0.54877979      -2.97148485
Cr      -1.29919000       2.55223000      11.14916000       1.14644887       1.25159020      -2.26500635
Cr       1.67415000       2.55699000      10.98613000       1.81682124       0.28853486       0.77733103
O        1.11163000       0.85332000      19.51965000       0.75793580       0.00567765      -1.47580123
O        4.24239000       0.81014000      19.46118000       0.95165489       0.09088512      -0.03442203
O        3.03739000       3.65759000      19.34800000      -2.49675231      -1.32370499      -0.41360882
O        4.07264000       2.40304000       0.37008000       1.70047728       1.15929803      -0.48427516
O        1.39846000       2.28435000       0.37332000      -0.32187146       1.46855072       1.40376185
O        3.06246000       0.07072000       0.42955000      -0.90022515       1.15921753       0.13876498
O        1.59949000       4.30163000       9.93840000      -0.17830503      -0.99391262       0.04516944
O       -1.06813000       4.08805000       9.85035000       0.05996238       0.38882079       1.67578584
O        0.24849000       1.95622000       9.88552000      -0.70693522      -2.96927414       1.15323853
O        1.89584000       0.88811000      12.19419000      -2.14120182       0.99682554       0.40480662
O        4.46213000       1.08591000      12.38992000       1.45476021      -1.49779845      -1.17345358
O        3.21097000       3.42543000      12.21174000      -0.83542999      -0.72536323      -0.16138706
O        4.38008000       2.60446000      21.83910000      -1.66741855      -0.35636293      -1.17081717
O        1.19232000       2.59171000      21.79578000      -0.15373694       0.16964215      -0.16800984
O       -0.12560000       4.94866000      21.85930000      -0.35085680       1.03953741      -1.51327422
O        1.78447000       4.35682000       2.72257000      -2.51120954       0.18117243       1.27051833
O       -1.66156000       4.10562000       2.70263000       1.82123831       0.27333301       0.18796767
O        0.06692000       1.42249000       2.74983000       0.49755511       2.81131496      -0.23562748
O        1.62958000       0.68821000       5.15191000       0.11096707      -0.43034416       0.67362951
O        4.84162000       0.69047000       5.25967000      -0.44379974      -0.26366541       0.59503794
O        2.97716000       3.34963000       5.18014000       2.00541612       1.79935445       0.11421367
O        4.37488000       2.52111000      14.74099000      -0.00160247       0.27240588       0.39123883
O        1.64093000       2.43208000      14.73547000      -0.96010846      -0.53347927      -1.27533500
O        3.13248000       0.16987000      14.74313000      -1.61962455      -0.84127834      -1.70982435
O        1.13870000       4.32817000      24.14242000      -0.39555181      -0.53352959       1.30256156
O       -1.54494000       4.36048000      24.22832000       0.36765178      -1.27626782      -0.08635810
O       -0.15076000       2.04015000      24.19259000      -0.81002479      -2.56299384       2.19967977
O        2.76872000       4.99056000      21.60629000       1.09824890       1.72785784       1.51267555
O        2.98529000       1.68288000       2.74444000      -0.22169386      -0.66756197      -1.75162627
O        0.30675000       3.45819000      12.10006000      -0.53661194      -0.90940113      -0.84059331
O       -2.58918000       4.94609000       7.33449000      -0.72097268       0.40341379       0.40142003
O        3.02513000       1.46665000      16.85055000      -0.81047544       1.23695736      -1.68139254
O       -0.12878000       3.64656000      26.44762000      -1.99171398       0.04038049       0.51289616
O       -0.02072000       0.05052000       0.60732000       0.49980583      -1.32606444      -2.52792565
O        3.14301000       1.59852000       9.90947000       0.35565626       1.11753051       1.19251734
O       -0.08099000       3.37095000      19.64437000      -0.63717303       0.35533122      -1.54585877
O       -0.04009000       1.53422000      16.89196000       1.45491696      -0.45473375       0.77647733
O        1.48376000       4.20198000      16.87058000      -1.90627982       1.30759685       2.37095706
O       -1.82170000       4.33977000      16.86082000       1.21990483      -0.64631955       2.41924788
O        2.71860000       3.36868000      26.49896000       0.16549629      -0.31739004       0.09846049
O        1.37781000       0.94290000      26.51518000      -0.04631475       0.23959130       0.30105340
O        4.07963000       1.03258000      26.41382000      -0.57605894       1.17846535      -0.22234325
O        0.22763000       4.77698000       7.44815000       0.60259298       2.52055239      -0.75574887
O       -0.97307000       2.58392000       7.35944000      -1.27385185      -1.80262160       1.29656387
O        1.63076000       2.56749000       7.39134000      -0.51777959      -0.96850651       0.80565909
Zn       5.55898000       0.06820000      27.04635000       0.88821726       0.49693801       1.31288453
Zn       3.26793000       1.71367000       7.86666000      -0.11246976      -1.00642219       1.09635107
Zn      -0.24429000       3.22420000      17.56271000      -0.02919771       2.29125206       1.08825045
Zn       5.74977000       0.01501000      23.65441000      -1.33804068       1.30526886      -0.99303243
Zn       3.36310000       1.61152000       4.67483000      -1.56549911      -0.15221614      -1.42479388
Zn       0.04194000       3.41290000      13.89918000      -0.14959126      -0.02798302       2.59947493
Zn       0.02439000       0.01804000      13.27422000       0.68265416      -0.03296845       0.49513601
Zn       2.64984000       1.98413000      23.01108000       0.28365080      -0.65845794      -0.87735680
Zn       0.03748000       3.37807000       3.79472000       0.52024577      -0.12100468      -0.55387808
Zn      -2.59419000       5.05101000       9.40503000      -0.79933443       0.82564213      -0.68210944
Zn       2.78390000       1.77347000      18.56914000      -1.00168699       0.67912571       3.95665782
Zn      -0.20670000       3.43192000      28.46816000       0.12333984      -0.77442199      -0.21110443
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.40849424 magmom=71.9983497 free_energy=-552.40849424 stress="-0.034893374846579214 0.006646838402049913 0.0055275163393521416 0.006646838402049913 -0.04272014085177694 0.001437528559647798 0.0055275163393521416 0.001437528559647798 -0.030667986869927992" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52538000       0.80203000      15.82716000      -1.86088456      -1.73496073      -2.44531394
Cr       4.52359000       0.84212000      15.80670000      -0.01898757      -0.95753270      -1.65006845
Cr       2.84919000       3.34710000      15.82271000       0.13758271       2.13665168      -0.01908761
Cr       4.11947000       2.67486000      25.28772000       1.45672365      -0.63583772       0.83035941
Cr       1.25778000       2.70596000      25.59083000      -2.78961527      -0.23072331      -1.99916946
Cr       2.72083000       0.13034000      25.26746000      -1.03776924       1.19151699       2.03686306
Cr       1.69869000       4.16927000       6.36874000       0.50863709       0.40188061      -0.77028714
Cr      -1.23374000       4.12576000       6.30113000      -0.31897561       0.44641083       0.16015876
Cr       0.34686000       1.64401000       6.30604000      -3.04357844       0.09825010      -0.23628175
Cr       5.71691000       0.10435000      18.19427000       0.81916729      -1.64834159       1.00770393
Cr       2.81675000       1.77722000      27.73430000      -1.47857607      -0.60670557       3.28431673
Cr       0.26809000       3.35329000       8.67747000      -0.26086927      -0.61731521       0.12360175
Cr       0.24164000       0.01306000       4.00947000      -2.15656473      -0.66094076      -0.55325708
Cr       2.98544000       1.82748000      13.51745000       2.66788320      -0.79041306      -3.10066746
Cr      -0.15012000       3.43438000      22.96708000      -0.00838580      -1.21782390       0.17702928
Cr      -0.13250000       1.83838000      20.55746000      -1.36830168      -2.17752606      -0.40614262
Cr       1.40649000       4.21167000      20.64916000      -0.37908430       1.20676408      -2.22514445
Cr      -1.69637000       4.27733000      20.71629000       1.82809967       0.23226981      -2.21467865
Cr       2.82098000       3.34112000       1.60083000       0.31618970      -0.81068603      -0.55310754
Cr       1.47835000       0.67376000       1.73486000       1.24415956       0.99086531      -3.70762351
Cr       4.46916000       0.76541000       1.63806000       0.46213957       0.46705501      -2.06336208
Cr       3.23658000       0.06190000      11.10162000      -0.41330544      -1.77456804      -0.30077926
Cr      -1.20860000       2.47091000      11.10576000       0.11784947       2.00070956      -0.69979693
Cr       1.76971000       2.48540000      10.84901000      -0.57337734       0.16715856       4.16785189
O        1.20763000       0.98568000      19.42494000      -0.37752798      -1.42162148       0.04052308
O        4.43553000       0.78579000      19.44623000      -0.59484958       0.54253261       0.12927893
O        2.91628000       3.58690000      19.31865000      -0.82962571       0.45677509       1.24425606
O        4.15324000       2.43381000       0.43567000      -1.17861517      -1.33291391       0.37169316
O        1.43449000       2.40165000       0.48786000       0.40813847       0.11973082      -0.13135788
O        2.98454000       0.14918000       0.53456000      -0.64178364      -0.86599148      -1.68446230
O        1.60460000       4.11330000       9.94325000       0.55991215       1.46062358      -1.58494004
O       -0.95800000       4.11812000       9.90335000      -1.08046690       0.10766222       0.28531336
O        0.26662000       1.71398000       9.90562000      -0.49442462       1.37281071      -0.16168060
O        1.87277000       0.97702000      12.17921000      -0.93157092      -0.31016703      -0.39750824
O        4.52946000       0.98694000      12.24593000      -0.18558926      -0.34468419       0.65939273
O        3.19298000       3.35152000      12.32612000       0.02588654      -0.55162799      -1.77643887
O        4.31587000       2.52320000      21.72562000       0.27819349       1.62952641       1.00380319
O        1.20821000       2.56283000      21.72273000       0.66667914       0.81520750       1.48789530
O       -0.04971000       4.89463000      21.63278000      -1.27369199       0.43574773       2.04279517
O        1.57596000       4.30789000       2.76247000       0.53021438      -0.21296826       1.29235164
O       -1.58258000       4.12880000       2.85198000       0.70443191       0.11201908      -0.91573381
O        0.09757000       1.51205000       2.72853000      -0.76873885       0.37668177       1.32379432
O        1.61141000       0.74243000       5.24976000       1.38459370      -0.43140846      -1.18217297
O        4.76954000       0.62001000       5.28473000      -0.09689840       1.81025914      -0.60665190
O        3.15563000       3.58698000       5.19868000       0.12747430      -1.97170521       0.08162984
O        4.41770000       2.50851000      14.84183000      -0.25976605       1.17563560      -0.87434187
O        1.59157000       2.42057000      14.57301000      -0.66757232       0.17622970       1.89729163
O        3.19524000       0.20439000      14.47055000      -1.20740899      -0.63155551       2.01867753
O        1.08276000       4.23101000      24.38821000       1.68581314       0.35888481      -2.03392385
O       -1.47985000       4.20589000      24.20704000      -1.09065294       1.13405823      -1.31791422
O       -0.17615000       1.87290000      24.46391000      -0.17006161      -0.05650462      -1.63265416
O        5.75303000       0.07230000      21.75049000      -0.07719588      -0.35262996      -1.39525740
O        3.03180000       1.56109000       2.51912000      -1.14163890       1.19733108       3.28645090
O        0.21793000       3.44446000      12.01598000       0.53513672      -0.83073692       0.90446501
O        0.22766000       0.03764000       7.32845000       0.49666631      -1.69454708       1.10394603
O        2.95046000       1.59374000      16.65765000       0.76045683       1.05740042       2.54854432
O       -0.36526000       3.63696000      26.43181000       0.61268395      -0.65989470       0.33981720
O        2.97711000       4.96630000       0.37930000      -0.30687308       0.35694180       2.01164311
O        3.16051000       1.62585000       9.88071000       1.17078238       0.31844188      -0.08326105
O       -0.18900000       3.49376000      19.47455000       0.31597317      -0.15754291       1.59738566
O        0.08065000       1.51576000      16.91470000      -0.40573539       1.13799920      -0.12549888
O        1.37043000       4.35780000      16.90974000       1.10288693      -0.83839128      -0.04801493
O       -1.80405000       4.34044000      16.99604000       0.33955497       0.00505582      -0.81991582
O        2.74071000       3.38561000      26.48844000       0.66666741      -0.25421906       0.54168358
O        1.37885000       1.10431000      26.53482000       0.19737021      -1.47321306       0.21260960
O        4.01649000       1.11555000      26.43693000       0.91087946      -1.25075320      -0.55849893
O        0.19747000       4.86893000       7.33965000       0.16947801      -0.45317611       1.04227683
O       -1.07781000       2.47694000       7.46041000       0.38910769       1.08801899      -0.73084595
O        1.56960000       2.51926000       7.39225000       0.70824882       0.96248100       0.86869871
Zn       5.54665000       0.04595000      27.08144000       0.75160259       1.37338476       0.76511904
Zn       3.16484000       1.60736000       7.80637000       0.58435584      -0.13891268       1.50240342
Zn      -0.33371000       3.29885000      17.59150000       1.18610805       0.54473401      -0.16069448
Zn       2.74945000       5.09841000      23.61100000      -0.32598779       0.83625552       1.11217867
Zn       3.32589000       1.68289000       4.60366000      -0.77942987       0.13182038      -0.97773665
Zn       0.07758000       3.47867000      14.02968000      -0.73378056      -0.42187737      -0.77489291
Zn       2.96716000       5.07143000      13.17141000       0.73348392       0.43124601       0.65209803
Zn       2.66048000       1.98296000      23.00462000       0.56576667      -0.66472605      -0.72952574
Zn       0.07964000       3.42382000       3.89716000       0.32845177      -0.32051603      -0.65018837
Zn      -2.56889000       5.01066000       9.46644000      -0.74428461      -0.56330686      -0.89306313
Zn       2.73011000       1.80949000      18.56824000       0.63780857      -0.57460654       1.51411193
Zn      -0.37781000       3.38379000      28.47225000       2.97920693       1.77854423      -0.47806990
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.84770314 magmom=72.0029096 free_energy=-552.84770314 stress="-0.030663650169523184 -0.0003309526447435227 -0.0031372861111218634 -0.0003309526447435227 -0.04105479187878561 0.0034313387167358178 -0.0031372861111218634 0.0034313387167358178 -0.031254771047024885" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44451000       0.80351000      15.72147000       1.02581422       0.35006519       0.69778360
Cr       4.52452000       0.83472000      15.70963000      -0.68707048       0.95140126       1.25989344
Cr       2.94251000       3.42382000      15.76693000      -1.86679581       1.11542806       0.46529229
Cr       4.18774000       2.65111000      25.37308000      -0.60121310      -0.54853556      -1.91355678
Cr       1.25323000       2.74050000      25.46646000      -0.12756290      -2.44646273       0.99143182
Cr       2.66497000       0.13932000      25.40529000      -0.40068142      -1.15082205      -2.09190930
Cr       1.69740000       4.25159000       6.34768000       0.37761922      -0.55884414      -0.55012294
Cr      -1.31051000       4.20112000       6.31733000       2.05831983      -0.10264231       1.21055594
Cr       0.28423000       1.69645000       6.30938000      -0.65508754      -0.34536052      -0.15853909
Cr       5.83406000       0.02799000      18.17567000      -1.79855306       0.66589265       0.32372473
Cr       2.81828000       1.64882000      27.84680000      -1.18793319       1.55976904      -1.24146436
Cr       0.27320000       3.32655000       8.69003000      -1.43913739      -0.49880681      -0.13061899
Cr      -2.78134000       5.02490000       4.00631000      -0.00208367       1.89559376      -0.80212011
Cr       2.99732000       1.79052000      13.44457000       0.83103585      -0.96935827      -1.75967457
Cr      -0.04992000       3.42391000      23.00481000      -2.61891333      -0.23545081      -0.35573300
Cr      -0.10502000       1.86923000      20.48013000      -0.86541097      -2.57776840       2.02049687
Cr       1.39236000       4.17343000      20.56181000      -2.48834983       4.50646508       2.15761494
Cr      -1.67075000       4.29760000      20.69171000       0.30439145       1.35329599      -1.03615060
Cr       2.83850000       3.23528000       1.67494000       1.59177088       2.24024679       1.76344182
Cr       1.49204000       0.80558000       1.61012000      -2.09595248      -0.95336579       1.55577285
Cr       4.43201000       0.68243000       1.61262000      -0.04300737       0.14766692       1.67384742
Cr       0.29163000       5.08905000      10.98651000       0.60700562      -0.09284270       1.24790075
Cr      -1.11746000       2.49666000      11.02930000      -1.88991034      -0.82281484       1.22534015
Cr       1.83600000       2.44721000      10.93408000      -2.17480004       1.67848330      -0.21259209
O        1.21911000       0.82221000      19.34625000       0.37098534       0.16680154       1.05001701
O        4.52441000       0.85832000      19.43124000      -1.20721744      -0.02411851      -0.82485628
O        2.66724000       3.59144000      19.45016000       2.95188689      -0.81451210      -1.76524462
O        4.11266000       2.24727000       0.54100000       1.42551754       1.14306438      -1.02113697
O        1.51514000       2.51992000       0.58891000      -1.46343544      -1.11246589      -1.82616287
O        2.82887000       0.12093000       0.37620000       0.93672026      -0.93714984       0.44035756
O        1.64844000       4.08722000       9.74994000      -0.23856447       0.41414957       1.55433392
O       -1.00065000       4.13568000       9.99880000      -0.42411707      -0.13315705      -1.53578232
O        0.22279000       1.74117000       9.93856000       1.45779328       0.02925988      -1.24534452
O        1.71576000       1.01831000      12.13220000       0.86955331      -2.33104514       0.98601601
O        4.52040000       0.85551000      12.14454000      -0.08480689       0.42218859       1.12944206
O        3.18548000       3.13347000      12.10199000       0.59916804       2.32673197       0.85378488
O       -1.53551000       2.75769000      21.75414000       0.31274102      -1.92380866       0.85023118
O        1.24999000       2.70081000      21.83968000       0.92808180      -1.07734095      -0.79516316
O       -0.16270000       4.85765000      21.72983000       1.06195467       1.64437404       0.79422181
O        1.52870000       4.31993000       2.97080000       1.80262165      -0.20274387      -1.39261442
O       -1.44335000       4.26476000       2.80083000      -0.90434841      -0.35579851      -0.80647482
O        0.02634000       1.59740000       2.86317000      -0.12802853      -1.47263061      -1.07823994
O        1.70171000       0.70681000       5.19430000      -1.32356230       0.29767711       0.16082845
O        4.74763000       0.79791000       5.25956000       0.62688412      -0.52126672       0.05869876
O        3.27381000       3.51598000       5.20556000      -2.05655986      -0.38937986      -0.06535824
O        4.36837000       2.62875000      14.77920000       0.16287347      -0.99724177      -1.17278163
O        1.55764000       2.38755000      14.68793000       0.70075703       1.27332932      -0.97844485
O        2.99824000       0.21667000      14.56509000       0.08418921       0.06302171       1.11968800
O        1.19432000       4.23121000      24.30700000      -1.16248981       0.63508803       0.24823372
O       -1.54606000       4.17278000      24.02970000       0.20005418       0.54938856       2.16079292
O       -0.23993000       1.74473000      24.47929000       1.04015189       1.56341084      -1.12222532
O       -0.10141000       0.18702000      21.60028000      -0.86151376      -0.70438748       0.59861012
O        2.91757000       1.58917000       2.70517000       0.29841460      -0.36151547      -1.92159941
O        0.24043000       3.31917000      12.03329000       1.34718523       1.19908494       1.19828512
O       -2.76550000       5.07960000       7.43100000       0.63527023       0.15615757      -0.68220162
O        2.95771000       1.84589000      16.78256000       0.39684645      -1.93700425      -0.29912484
O       -0.44260000       3.51757000      26.43492000       2.35803578       0.62005218       0.97193787
O        2.96113000       4.84334000       0.54060000      -0.43215064       1.74053048       0.09087025
O        3.33338000       1.71808000       9.93222000      -0.67613651      -1.15181237      -0.93098459
O       -0.23206000       3.54917000      19.59097000       0.72705024      -0.31595761      -1.61535899
O        0.19193000       1.64413000      16.90951000      -2.01971186      -0.90251315      -0.07263070
O        1.45134000       4.38578000      16.92514000       0.79565459      -0.07814068      -0.76239015
O       -1.74056000       4.37082000      16.94842000       0.04658811       0.19411668      -0.99263830
O        2.83825000       3.32685000      26.54658000      -1.54502808       0.14525931       0.63458782
O        1.40359000       1.00920000      26.56833000      -0.45771388       0.64202463       0.35706635
O        4.05992000       1.00949000      26.39587000       0.02818161      -0.44847368       1.74556038
O        0.21902000       4.82369000       7.38056000      -0.47678471       0.12020181       0.57207978
O       -1.09947000       2.55963000       7.41942000      -0.47722047      -0.02474061      -0.02379424
O        1.55181000       2.62219000       7.47329000       1.03800652      -0.62065698      -1.04047353
Zn       5.58127000       0.08978000      27.15858000       0.98075688      -0.36191274       0.38152133
Zn       3.09870000       1.50819000       7.83181000       0.94292671       1.47818292       1.33826982
Zn      -0.34523000       3.40104000      17.62512000       2.24412491      -0.48031089       0.34122272
Zn       5.63469000       0.01113000      23.60603000       1.07265907       0.70365552      -1.16612609
Zn       3.24405000       1.75652000       4.48657000      -0.03314214      -0.72927467       1.38171316
Zn       0.07701000       3.51431000      14.13118000       0.05727975      -0.96937258      -1.53056764
Zn      -2.90120000       5.03517000      13.11439000       0.48446256       0.09370154      -0.13101761
Zn       2.70403000       1.94366000      22.97174000       0.67713461      -0.58258456      -0.61290933
Zn       0.13091000       3.44649000       3.98063000      -0.58069936      -0.55882290      -0.10372346
Zn      -2.58764000       4.95355000       9.47237000      -0.67881081       0.75804101      -0.82633056
Zn       2.71125000       1.81979000      18.66420000       0.89760146      -0.73845234       0.92557753
Zn      -0.41103000       3.40827000      28.45472000       0.81843526      -0.28213475       0.05713769
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.51015384 magmom=72.0029708 free_energy=-552.51015384 stress="-0.040581623327854276 -0.005208856633941467 -0.007356981057503146 -0.005208856633941467 -0.04528701581213337 -0.00142683006999474 -0.007356981057503146 -0.00142683006999474 -0.03762886685982031" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37444000       0.85140000      15.66143000       0.45624210       3.25116851       1.05401313
Cr       4.49044000       0.87024000      15.71614000      -1.63759851       1.94817244       0.20412429
Cr       2.94005000       3.56037000      15.74813000       0.52650784      -3.58584961      -2.11729808
Cr       4.22700000       2.58904000      25.40513000      -0.80680183      -0.14077081       0.77832887
Cr       1.25207000       2.63259000      25.41334000       1.43070503       0.48451342       0.84259071
Cr       2.59636000       0.10782000      25.48504000       1.87027505      -1.29598405      -1.48332848
Cr       1.70605000       4.30216000       6.30375000      -0.88250374      -0.83088782       0.96316187
Cr      -1.26537000       4.27081000       6.39113000      -0.72718428      -0.77701074      -2.43943685
Cr       0.17203000       1.74292000       6.30654000       2.35494127      -0.20725720      -0.05096181
Cr       2.89920000       5.09636000      18.16005000      -0.63713254       1.03015886      -0.99829351
Cr       2.73019000       1.59674000      27.93009000       1.12631806       2.30369917      -2.56565841
Cr       0.21569000       3.27235000       8.67693000       1.10703159       0.54389711      -1.63948896
Cr      -2.84004000       5.03607000       3.95502000       2.66393042       0.76095775       1.45910869
Cr       3.07139000       1.69329000      13.25992000      -0.42564120       0.06106678       2.84823364
Cr      -0.08911000       3.41196000      23.01612000      -0.28305919       1.58776519      -0.35128788
Cr      -0.14378000       1.73707000      20.48942000       0.29230800       1.97905204       1.68914618
Cr       1.27949000       4.38754000      20.54467000       0.82533403      -0.32519244       1.35887720
Cr      -1.60501000       4.37287000      20.61431000       0.27416213      -2.34107291       2.37189997
Cr       2.93871000       3.24323000       1.77824000       1.12418235       1.91696126      -3.13519575
Cr       1.40642000       0.89054000       1.51134000      -1.78984811      -2.22914890       1.70990948
Cr       4.38540000       0.62213000       1.66058000      -1.48865818       1.26721499       0.37339469
Cr       0.32506000       4.98909000      10.94827000      -1.13089235       1.39017722       1.81424364
Cr      -1.11456000       2.48428000      11.02115000      -0.28717931      -0.64408042       0.64867734
Cr       1.78236000       2.48062000      11.05035000       0.30258394      -0.40315360      -1.25732956
O        1.24451000       0.69415000      19.45040000       0.14312785       2.30578109      -1.40274885
O        4.42733000       0.92158000      19.30711000       0.38560179      -1.11980357       0.33086940
O        2.81925000       3.57704000      19.41796000      -0.24281598       0.94846638       0.26128284
O        4.22119000       2.19831000       0.50998000      -0.64761713       0.86937635      -0.16593686
O        1.41245000       2.48816000       0.44648000       0.39454773       0.44817542       0.52716280
O        2.84054000       0.00748000       0.32090000       0.13928504       1.41942003       2.00135870
O        1.57883000       4.12084000       9.82660000       0.95388888      -0.64739075       0.29727385
O       -1.05017000       4.07843000       9.86869000       0.12401897      -0.05216271       0.56774241
O        0.38779000       1.85910000       9.85159000      -0.69670036      -2.89718783       1.13160851
O        1.77967000       0.73269000      12.16002000       0.13396411       0.60272478      -0.93837318
O        4.44564000       0.83781000      12.18340000       1.29515280       0.22643000      -0.16909548
O        3.27790000       3.24692000      11.98709000      -0.23664937       0.15439889       1.28616104
O       -1.38257000       2.75414000      21.84389000      -1.46356473      -1.40714482      -1.75344322
O        1.36448000       2.75135000      21.80624000      -0.93392625      -0.17171439      -0.91449042
O       -0.16069000       5.05015000      21.95646000       0.24956211       0.60874464      -2.00098039
O        1.79067000       4.25581000       2.90202000      -3.68975864      -1.72704141       0.11681900
O       -1.51798000       4.36687000       2.62269000       0.53911696      -1.78007897       1.46746818
O       -0.08170000       1.38081000       2.80395000       0.27494255       2.44782695      -0.54767394
O        1.53752000       0.69788000       5.17983000       0.40403984       0.84740191       0.10464294
O        4.82393000       0.87199000       5.23908000      -2.34896461      -0.76755618      -0.72250778
O        3.02324000       3.46262000       5.25364000       1.64355603       0.79539146      -0.52349397
O        4.26750000       2.57786000      14.50904000       0.94668344      -0.10809798       0.78588236
O        1.69026000       2.53086000      14.67942000      -0.75859498      -0.03168065      -1.42881560
O        2.88565000       0.24377000      14.83446000       1.69570889      -1.46135561      -3.28783058
O        1.07101000       4.30822000      24.24709000       0.99005201       0.11569821       1.34839147
O       -1.54507000       4.23210000      24.24254000      -0.87401783      -0.03327910       0.22583398
O       -0.14777000       1.93855000      24.26341000      -0.53613611      -1.42055322       0.17372587
O        5.70968000       0.11759000      21.46217000       0.15831176      -0.37750745       2.22103917
O        2.82705000       1.57008000       2.56758000       1.23971834      -0.74411684       1.57518115
O        0.45366000       3.37186000      12.17723000      -1.28452826      -0.19721509      -1.08388831
O       -2.69630000       5.01284000       7.38290000      -0.73053346       1.46143300       0.57828704
O        3.04616000       1.80771000      16.83276000      -0.63184167       0.00492586      -0.37561487
O       -0.15214000       3.45550000      26.47213000      -1.24260523       0.02401173      -0.35814822
O        2.86849000       5.01301000       0.78613000       0.80341439      -1.11586868      -3.64984930
O        3.38207000       1.60855000       9.89803000      -0.94346885       0.01854770       0.42157413
O       -0.13483000       3.50929000      19.56966000      -0.24514568      -0.26877912      -0.66836582
O       -0.04722000       1.60336000      16.86205000       0.67692748       0.37479344       0.65862293
O        1.66561000       4.39664000      16.79417000      -1.97280387      -0.10868668       1.73986066
O       -1.65449000       4.44761000      16.74616000       0.86213295      -0.68567252       2.56701067
O        2.71087000       3.24544000      26.64538000       0.79528695       0.10416725      -0.45491376
O        1.34902000       1.00753000      26.62439000      -0.36122968       0.13318000      -0.16384730
O        4.06241000       0.84540000      26.57945000      -0.49572211       1.44958148      -0.51427027
O        0.19518000       4.75489000       7.49104000       0.47167869       2.20850292      -0.58347885
O       -1.14227000       2.65611000       7.35656000      -0.67179776      -1.58616030       1.30122901
O        1.63545000       2.67311000       7.38364000      -0.73401160      -0.97323890       0.10742712
Zn       5.67171000       0.11948000      27.26589000      -0.11576054      -1.36313556       0.70617737
Zn       3.07980000       1.48318000       7.93331000       0.53888714       1.41122160       0.49726462
Zn      -0.23606000       3.48261000      17.66219000       0.81945055      -0.46611928      -1.04100544
Zn       5.61822000       0.07397000      23.56213000       0.49709947      -0.16139094      -0.20770407
Zn       3.15101000       1.78240000       4.42466000      -0.23047860      -1.28703590       0.89300127
Zn       0.07336000       3.50411000      14.16318000      -0.04674173      -0.23524292      -0.42180159
Zn      -2.83641000       5.00352000      13.06996000       0.25772631       0.23835039       0.52759305
Zn       2.78881000       1.86643000      22.92022000       0.26956456      -0.35494830      -0.31635655
Zn       0.15954000       3.44058000       4.06058000      -0.26195376      -0.10247738      -1.12335223
Zn      -2.64791000       4.92639000       9.42342000      -0.50669449       1.11740640      -0.71226263
Zn       2.74335000       1.78737000      18.80672000       0.25900778      -0.42148756      -0.73337022
Zn      -0.37979000       3.41536000      28.43194000       0.68358535      -2.00622355      -0.23430231
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.28411962 magmom=71.9991214 free_energy=-552.28411962 stress="-0.033302510333322675 -0.00018140947522681517 0.006653129412584674 -0.00018140947522681517 -0.025108638690479135 -0.006535191897115467 0.006653129412584674 -0.006535191897115467 -0.042035489455820176" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35759000       1.04234000      15.68217000       1.60966439      -1.10117879       0.05297583
Cr       4.36707000       0.98894000      15.76728000       0.62736798      -1.76812050      -1.21098398
Cr       2.95009000       3.52894000      15.67096000       1.25364786      -0.05766237      -0.00460535
Cr       4.20771000       2.51610000      25.48017000       0.17107946       0.51133524      -0.29716055
Cr       1.33043000       2.54107000      25.42155000      -0.24784067       1.55295374      -1.27305341
Cr       2.63916000       0.02738000      25.51962000       0.78574413       0.40719339       0.12973203
Cr       1.65525000       4.29856000       6.32344000       0.30119138       0.09964073      -0.19821324
Cr      -1.25000000       4.28511000       6.35169000      -1.63873103      -0.53981719      -0.61716140
Cr       0.15354000       1.77568000       6.28724000      -1.32334597      -1.29415645      -0.88141792
Cr       5.81858000       0.00387000      18.10701000       1.31565690       0.85124401       0.26978078
Cr       2.66386000       1.64605000      27.93193000       1.56487203       0.98883608      -1.47487023
Cr       0.21956000       3.23515000       8.60142000       1.04171864       0.09869046       1.99583560
Cr      -2.78551000       5.10400000       3.94416000      -1.93584718      -0.35707928      -0.37859217
Cr       3.12420000       1.59282000      13.22745000      -0.76034712       0.93851294       1.63173048
Cr      -0.16843000       3.49706000      22.98661000       0.52762934       0.50154309       0.15062364
Cr      -0.16327000       1.68307000      20.57443000       2.25325648       2.10429712      -0.68228984
Cr       1.20320000       4.58764000      20.60098000       1.68892478      -4.64586920      -0.30720875
Cr      -1.54569000       4.35193000      20.62169000      -0.97792784      -0.61836210      -0.47672027
Cr       3.08376000       3.32819000       1.70314000      -2.90597423      -1.45117981      -1.76633480
Cr       1.28046000       0.86729000       1.45557000       1.00132741      -0.00387399       2.18276064
Cr       4.29267000       0.61843000       1.71373000       1.28386499      -0.19166647      -1.33274196
Cr       0.30526000       4.97293000      11.01727000       0.20162925      -0.37468443      -0.71613122
Cr      -1.15242000       2.43313000      11.05645000       0.48821428       0.31811976      -0.68426995
Cr       1.73637000       2.49030000      11.08954000       1.95065121      -2.12610465      -0.71681388
O        1.26321000       0.87938000      19.43056000      -1.19535448      -1.13274270       0.28627016
O        4.42024000       0.79685000      19.26888000       0.45150441       0.95943687       0.35058510
O        3.00697000       3.69601000      19.39305000      -1.07434326      -1.05721974       0.23165371
O        4.19419000       2.30448000       0.45496000      -0.67651199      -0.15970426       0.34271392
O        1.34654000       2.51696000       0.39524000       0.84020449      -0.34276661       1.12166813
O        2.86471000       0.09788000       0.58542000      -1.44342349      -1.34508947      -2.30884382
O        1.61457000       4.00918000       9.96467000       0.40576798       0.32972625      -2.11545093
O       -1.02128000       3.97175000       9.83688000      -0.66135036       0.58801583       0.25161898
O        0.43438000       1.61630000       9.89756000      -1.26080646       1.88063145      -0.01575192
O        1.91270000       0.59723000      12.05942000      -1.92711224       2.10172718       1.18068631
O        4.55115000       0.87748000      12.18085000       0.76070355      -1.00587051       0.02454282
O        3.33530000       3.31253000      12.09231000      -1.01589360      -1.53522219      -0.22330726
O       -1.39761000       2.54665000      21.68650000      -1.46828002       1.86406550       1.09740662
O        1.24861000       2.79465000      21.61743000      -0.72965451      -0.05047413       1.39727522
O        2.84316000       0.13319000      21.81003000      -1.20527678      -1.29772206       0.11568257
O        1.57462000       4.00178000       2.83175000       0.66529546       1.62928881       0.37503434
O       -1.57470000       4.23099000       2.71084000       1.44492665       0.80282473       0.96074876
O       -0.12363000       1.43860000       2.65923000       0.25636056       0.62460276       1.19526584
O        1.41104000       0.80659000       5.20440000       1.70867444       0.10658162      -0.73376866
O        4.60922000       0.79206000       5.15382000       0.52342122       0.27776497       0.38548847
O        3.08098000       3.62372000       5.23228000       1.01481870      -1.25568180      -0.37658972
O        4.30842000       2.47202000      14.42827000       0.86268395       0.99429646       1.98970707
O        1.75562000       2.64973000      14.43509000      -0.42893821      -1.37638975       0.56360594
O        2.99681000       0.16228000      14.59777000      -0.82307997       1.36900827       0.42326606
O        1.03342000       4.32372000      24.40300000       1.37252186      -0.28973861      -1.63673358
O       -1.66340000       4.24018000      24.51973000      -0.50362651      -0.23899284      -2.36803937
O       -0.12450000       1.97107000      24.13200000      -0.53852623      -0.76757718       1.10069663
O        5.68172000       0.00370000      21.64993000       1.23362043       0.57577136      -0.82401022
O        2.87900000       1.50622000       2.52506000      -0.99821051       1.66870371       1.81422036
O        0.42753000       3.38630000      12.09772000      -1.84456777      -1.01769654       0.70327040
O        0.22603000       0.06366000       7.33462000      -0.43771819      -0.34680912       0.19208682
O        3.00316000       1.77784000      16.73519000      -1.93576336       1.16584978       0.87696324
O       -0.06865000       3.40582000      26.40941000      -1.80184631      -0.16071534       1.30633510
O        2.84621000       5.05351000       0.51438000      -0.19333445      -1.31704719       3.36185291
O        3.25209000       1.49843000       9.99022000       0.13176852       1.47088205      -0.00452316
O       -0.05974000       3.43705000      19.51916000      -0.70200794       0.69086551       1.03031477
O       -0.14713000       1.61107000      16.90249000       1.45100786       0.89689770      -0.07372158
O        1.58129000       4.37895000      16.85288000      -0.05536576      -0.23648987      -0.47976359
O       -1.51603000       4.48413000      16.87009000      -2.01861062       0.49301082      -0.87026788
O        2.71440000       3.17315000      26.62038000       0.67709719       0.84122846       0.21448678
O        1.26996000       1.05039000      26.60550000       0.79246290      -1.25485336       0.07482257
O        3.97535000       0.95400000      26.65504000       1.24677900      -0.90083043      -0.35804257
O        0.20615000       4.92123000       7.45164000      -0.15837030      -1.36891920      -0.06353408
O       -1.21907000       2.54847000       7.45967000       0.45999955       0.96627979      -0.71744489
O        1.55918000       2.58005000       7.27415000       0.53511467       0.27986066       0.93999179
Zn       5.75146000       0.07852000      27.39543000      -1.54209309      -0.58279790      -3.71460264
Zn       3.08965000       1.54719000       8.06896000      -0.06836486       1.49474172       0.57800305
Zn      -0.07186000       3.53743000      17.64560000       0.42872833      -0.50259943      -0.70625021
Zn       5.63566000       0.13167000      23.50712000      -0.01063933      -0.70686325       1.82742104
Zn       3.05099000       1.74050000       4.42641000      -0.12481900       0.24007522       0.66366744
Zn       0.06626000       3.47205000      14.15800000      -0.48783294      -0.66287601      -1.19329104
Zn      -2.75541000       4.98963000      13.06148000       0.24432280       0.55019405       0.62521896
Zn       2.88570000       1.77913000      22.86326000      -0.45629608       0.81665289       0.19766620
Zn       0.17241000       3.42666000       4.09451000      -0.26457115      -0.17706448      -1.24605944
Zn      -2.73044000       4.95452000       9.33821000       0.53891794      -0.72870406      -0.03979272
Zn       2.79532000       1.74760000      18.91584000       0.70845770       1.58023145      -1.02260364
Zn      -0.30129000       3.34267000      28.39833000       1.02100312       0.71763088      -0.10271521
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.92684989 magmom=71.9992138 free_energy=-551.92685028 stress="-0.034290210889837996 -0.0031980266991048587 0.0064744007965991165 -0.0031980266991048587 -0.04169748572204356 0.007880818216967456 0.0064744007965991165 0.007880818216967456 -0.04730148570146955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41022000       1.16002000      15.72614000      -1.27562681      -3.31870615      -1.93920635
Cr       4.28152000       1.00778000      15.80528000       1.57233260      -2.06019620       0.91368269
Cr       3.02378000       3.50257000      15.61043000      -0.91337883       2.21440713       0.19146939
Cr       4.19032000       2.48476000      25.53153000       0.85958088       0.77843921      -2.78058661
Cr       1.39730000       2.53618000      25.39366000      -1.77143904       0.62242207      -0.90977642
Cr      -0.21404000       5.07668000      25.56878000      -0.33338412      -0.46522834      -1.75740554
Cr       1.60714000       4.28694000       6.33596000       1.19403485      -0.94381172      -1.31256059
Cr      -1.31323000       4.26443000       6.27178000       0.73231244       0.61708714       1.09515347
Cr       0.09018000       1.74842000       6.21603000      -0.42229267       0.03941843      -0.18436600
Cr       5.84252000       0.06736000      18.05544000      -0.31229703       0.54490456       1.50854750
Cr       2.64916000       1.71036000      27.90109000       1.52966844      -1.19189963      -1.14599326
Cr       0.27471000       3.21645000       8.63372000      -1.27167646       0.56724113       0.78462695
Cr       0.13642000       0.03893000       3.91761000      -1.54045204      -1.09522761       0.29789185
Cr       3.14871000       1.57594000      13.29005000       1.16719093       1.71564561      -0.07613910
Cr      -0.21673000       3.60688000      22.97151000      -1.38913801      -1.21747488       1.90319705
Cr      -0.07839000       1.76756000      20.62607000      -1.54570652      -0.03836791      -0.75829583
Cr       1.24711000       4.51125000      20.63981000       2.34636097      -2.33279670      -1.05217494
Cr      -1.57223000       4.28457000      20.60103000      -2.22590508       1.12881008      -1.33604877
Cr       3.07140000       3.33825000       1.55543000      -2.18185324      -1.91220861       5.41618929
Cr       1.25765000       0.86019000       1.47255000       1.19216529      -0.36984030       3.94208516
Cr       4.23409000       0.62936000       1.70405000      -0.28240933       0.70016312       0.15226869
Cr       0.26640000       4.95417000      11.06911000       0.07189097      -0.77021781      -0.80481240
Cr      -1.17961000       2.39585000      11.05682000      -1.20970797      -0.22179911      -0.64742983
Cr       1.77212000       2.40532000      11.07782000      -2.50284813       1.21445034      -0.53978419
O        1.12399000       0.89328000      19.42631000       2.30510650      -0.15404933      -0.38977649
O        4.52173000       0.79621000      19.34221000      -1.04879568       0.99153412       0.12247470
O        2.98544000       3.68477000      19.38202000      -1.68411816      -0.82032620      -0.40920144
O        4.07915000       2.30882000       0.42152000       2.25746991      -0.68452882      -0.95420168
O        1.42646000       2.51367000       0.53913000      -0.13209199       0.35230159      -1.08260825
O        2.69436000       0.01708000       0.48927000       0.58249801       0.38462220      -1.02236185
O        1.68438000       3.88481000       9.78588000      -0.72845026       1.08354429       0.98560988
O       -1.05309000       3.97116000       9.88893000      -0.53006008       1.33619213      -0.22952328
O        0.24739000       1.70102000       9.96212000       0.70243255      -0.70640142      -1.22038845
O        1.82307000       0.83247000      12.11766000       0.08481840      -1.86050354       0.63357948
O        4.70051000       0.76930000      12.15956000      -1.62567550      -0.48333066       0.33806478
O        3.21766000       3.06710000      12.15165000       0.53425641       2.21510011       0.06528692
O        4.29495000       2.65762000      21.65453000       0.55145576      -0.30369205       1.34879303
O        0.97347000       2.85436000      21.71656000       2.85276245      -0.08033274       1.48017158
O        2.71427000       0.03968000      21.64755000       0.63769419       1.00311274       2.18989447
O        1.47851000       4.12934000       2.81020000       1.53763871       1.00786561       0.13090889
O       -1.51890000       4.20276000       2.90270000      -0.03274639       0.58638913      -2.17980586
O       -0.11162000       1.54751000       2.68738000      -0.42393971      -0.36161939       0.01066403
O        1.47107000       0.87926000       5.13949000      -1.24279019      -1.31050947       0.42841514
O        4.51822000       0.71676000       5.16774000       1.17074677       0.70932883      -0.04271142
O        3.32261000       3.58690000       5.11674000      -2.67893117      -0.62391390       0.12489478
O        4.42975000       2.50450000      14.71818000      -0.61745876       0.68282278      -1.29267754
O        1.76926000       2.50817000      14.35286000      -0.53292386       0.97579337       0.94787716
O        2.97580000       0.24441000      14.48865000      -0.29491261      -2.30361441       3.03878794
O        1.17563000       4.26119000      24.32766000      -0.75699262      -0.24513609      -0.17655145
O       -1.77185000       4.17412000      24.40077000       1.98749551       0.13494700      -0.35426444
O       -0.20413000       1.92872000      24.24818000       0.21071574       0.76421978      -0.02166145
O        5.85394000       0.02127000      21.62884000      -1.25065891       0.76220911       0.29530201
O        2.85365000       1.69240000       2.63312000      -0.21589220      -0.83720758      -1.79966182
O        0.12172000       3.23413000      12.04156000       2.29847633       1.33789444       1.67713831
O        0.10535000       0.14694000       7.28686000       0.43405216      -1.47571012       0.29372514
O        2.72443000       1.92215000      16.71591000       2.49531082       0.08932419       2.05572823
O       -0.29228000       3.33223000      26.46773000       1.58883020       0.33015124       0.13003884
O        2.81036000       4.88080000       0.70524000      -0.58429301       3.29661865      -3.26957555
O        3.16758000       1.60354000      10.12341000       1.05594325      -1.36418745      -1.76206303
O       -0.11564000       3.49590000      19.64631000       0.47732646       0.09977228      -2.23477525
O        0.01621000       1.76969000      16.88528000      -1.58406379      -0.72664460       0.06136238
O        1.52131000       4.38232000      16.80609000       1.43690881       1.12000324      -0.89296334
O       -1.69707000       4.58870000      16.83489000       1.35281788      -1.03041547      -0.66193886
O        2.82433000       3.22929000      26.60241000      -1.45311784       0.37545819       0.87585087
O        1.36565000       0.93057000      26.53974000      -0.04780414       0.27930708       0.69022534
O        4.09339000       0.93716000      26.64259000      -0.07917746      -1.26969735       0.62852635
O        0.17001000       4.83410000       7.40919000      -0.24392165       1.29918185       1.29341603
O       -1.16926000       2.61920000       7.43286000      -0.97431315      -0.09086344      -0.23102911
O        1.50808000       2.54009000       7.31553000       1.08597565      -0.05755922      -0.00671390
Zn       5.75264000       0.00306000      27.36584000      -0.56556270      -0.21190648      -0.61730014
Zn       3.09989000       1.68557000       8.21928000       0.16756263      -0.31146191      -1.20452550
Zn       0.08976000       3.56148000      17.59938000      -1.77989992      -0.18986894       0.97077928
Zn       5.65550000       0.14666000      23.54068000       0.38089977      -0.53074601       0.47938416
Zn       2.95710000       1.71465000       4.47862000       1.56508874       1.04071384       0.62914119
Zn       0.04442000       3.41825000      14.09233000       0.76149518       0.51436436      -1.08956410
Zn      -2.66344000       4.99830000      13.09536000      -0.18318960      -0.21017257       0.42878269
Zn       2.95793000       1.73237000      22.82394000      -0.60334255       0.38462478       0.13345877
Zn       0.16386000       3.40261000       4.07901000      -0.57390316       0.04886893      -1.17736336
Zn      -2.77910000       4.96257000       9.24545000       1.18746580       0.41664302       0.28491979
Zn       2.87001000       1.77878000      18.97126000      -0.39922106       0.24767881      -0.49996677
Zn      -0.17507000       3.29814000      28.36780000      -0.32241856       0.16859765       1.08943993
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.85045512 magmom=71.9983081 free_energy=-551.85045512 stress="-0.03362973523049925 -0.00565383041569845 -0.008375645316369355 -0.00565383041569845 -0.04105351028475075 0.006541647939393025 -0.008375645316369355 0.006541647939393025 -0.03996381677822071" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41061000       1.08723000      15.72148000       0.76068551      -0.98311587       0.06218100
Cr       4.31274000       0.93482000      15.91007000      -0.53949326       3.84927216      -1.62017189
Cr       3.04078000       3.61216000      15.59117000      -1.08152987      -0.62318083      -0.16355059
Cr       4.20085000       2.50023000      25.46466000      -0.57061272       0.09218521       0.16842924
Cr       1.37350000       2.56392000      25.34187000      -0.54340924      -0.88939155       0.93660106
Cr      -0.12535000       5.01183000      25.54987000      -0.62537625       0.36572387      -1.41287007
Cr       1.60417000       4.22131000       6.28104000      -0.89732705      -0.70968363       0.38858418
Cr      -1.34972000       4.26138000       6.24761000       0.50499017       0.23787940       0.76819413
Cr       0.00485000       1.72155000       6.15082000       1.97110331       0.51121546       2.19082441
Cr      -0.04230000       0.17117000      18.05152000       0.25924488      -0.20488452       0.83945556
Cr       2.70902000       1.69094000      27.83313000       1.27921589      -1.04893404      -0.11857590
Cr       0.24648000       3.24602000       8.69813000      -1.80673423       1.63091937      -2.61512211
Cr       0.02642000       0.01570000       3.88710000       1.58608975      -0.51004719       1.26690100
Cr       3.21457000       1.63597000      13.39394000      -0.76513350      -0.82627814       1.51873382
Cr      -0.31795000       3.63638000      23.05999000       2.30046369      -2.48277475      -2.35463779
Cr      -0.03394000       1.87791000      20.63298000      -0.83077513      -0.34560714      -0.22081997
Cr       1.41637000       4.28207000      20.62278000      -2.42334502       2.25550455       0.76774739
Cr      -1.71805000       4.28179000      20.50332000       1.76904067       1.51313622       0.75883967
Cr       2.92300000       3.28874000       1.60816000       1.14565326       3.73207235      -0.79936207
Cr       1.33065000       0.85370000       1.62710000      -1.44238721      -1.22337034      -1.64157233
Cr       4.17857000       0.69925000       1.66024000       1.87075262       1.02836049      -2.60465543
Cr       0.23211000       4.88597000      11.07429000      -0.22832548       1.01399414       0.26372795
Cr      -1.25462000       2.36692000      11.03669000      -0.14646446       0.72998103       1.07230046
Cr       1.70058000       2.35888000      11.03652000      -0.39012961       0.68222767       0.90302338
O        1.28256000       0.84265000      19.38855000      -0.71537381       0.29899901       0.29474197
O        4.51511000       0.93874000      19.44984000       0.73903894      -0.85253128      -0.22473141
O        2.67376000       3.63403000      19.32866000       1.04258053       1.17229298       0.06779589
O        4.27258000       2.22186000       0.31339000      -1.59903403       0.88168223       1.31591224
O        1.49706000       2.53740000       0.55912000      -0.12972432      -0.58716320      -0.80646134
O        2.59218000       0.02858000       0.23582000       0.88025727       0.65588353       1.97023629
O        1.59653000       3.94696000       9.80547000       0.40435928       0.55851123       1.49716965
O       -1.14687000       4.15169000       9.92840000      -0.23265887      -1.40696741      -0.31637481
O        0.16690000       1.75200000       9.86312000       0.62627425      -1.63473847       0.35150635
O        1.79756000       0.85903000      12.27853000       0.76234128      -0.98943346      -1.09530866
O        4.51682000       0.62156000      12.17563000       0.66227311       1.32959112       0.50418612
O        3.16093000       3.10563000      12.15294000       0.49361806       0.52619139      -0.25867411
O        4.21904000       2.83019000      21.82657000       1.13634076      -0.79037367      -1.01785142
O        1.11575000       2.85095000      21.99847000       0.86179062      -0.99650480      -2.22107807
O       -0.27953000       5.09082000      21.80034000       0.68928164       0.42997130      -0.97163868
O        1.69098000       4.43248000       2.83550000      -2.99985758      -3.89540787      -0.26666619
O       -1.55320000       4.32328000       2.73695000       0.14534586      -0.63546283      -0.10632364
O       -0.14376000       1.52678000       2.74865000      -0.01846402       1.63123223       0.22571271
O        1.33629000       0.71137000       5.13608000       1.64362798       1.26780766      -0.31905672
O        4.65244000       0.73787000       5.20645000      -2.46185608       0.23795985      -1.14431692
O        3.12529000       3.50224000       5.09748000      -0.56396598       0.75891926       0.58500396
O        4.39222000       2.58126000      14.81574000       0.58413422      -1.10704040      -2.11210322
O        1.76169000       2.48391000      14.47374000      -0.08489556       1.31116708      -0.31960213
O        2.92249000       0.10308000      14.86914000       0.35499217       0.57051724      -1.82846774
O        1.16462000       4.13717000      24.21303000       0.84262291       1.60739539       1.05745108
O       -1.54043000       4.14574000      24.24289000      -3.04042705       2.02914235       3.08976756
O       -0.23082000       2.03124000      24.36102000       0.48916436      -2.30917699      -1.76604333
O       -0.09577000       0.18115000      21.53754000      -0.47620797      -0.73263535       1.65727234
O        2.78258000       1.68775000       2.49231000       0.54639671      -0.97794739       3.56978620
O        0.13162000       3.25132000      12.14026000       0.67054574      -0.47135414      -1.87111307
O       -2.88698000       5.08181000       7.22651000       0.70755943       0.46944153       0.66092596
O        2.79004000       2.04434000      16.90637000       0.72100427      -1.35451022      -0.66736602
O       -0.28311000       3.31505000      26.47748000       1.30256604       0.09963231      -0.13974566
O        5.69725000       0.00542000       0.65835000       0.74068494      -1.08230177      -0.86169549
O        3.22411000       1.52475000      10.06820000      -0.67646807      -0.52044270       0.77173391
O       -0.11994000       3.59043000      19.48308000       0.11716461      -0.66277783       0.81904660
O       -0.05441000       1.78161000      16.82051000       0.04453692      -0.35858775       0.99691178
O        1.71179000       4.47603000      16.64011000      -1.28159423      -2.22816380       3.46128644
O       -1.68710000       4.54974000      16.70541000       1.13021380       0.16802493       2.55380598
O        2.72758000       3.27535000      26.65487000       0.27006156      -1.50246370      -1.38485578
O        1.47585000       0.85483000      26.54248000      -0.91811784       0.89967129      -0.40513026
O        4.16008000       0.75164000      26.63586000      -1.14021463       1.81415254      -0.90095390
O        0.12954000       4.88889000       7.53241000       0.40671033       0.34114059      -1.06164426
O       -1.20204000       2.70105000       7.32737000      -0.38669398      -1.27031621       1.19296622
O        1.56459000       2.54578000       7.36410000      -0.81153445       0.04182096      -0.33817262
Zn       2.77843000       5.03446000      27.26349000       0.90537429       0.92595113       1.05873026
Zn       3.11762000       1.81638000       8.29837000       0.15497667      -0.60731731      -2.97427915
Zn       0.17588000       3.57888000      17.58956000      -0.65832189       0.04877015      -0.76338882
Zn       5.69596000       0.12996000      23.62343000       0.24409232      -0.06982249      -0.13013640
Zn       2.92616000       1.73195000       4.56581000       0.23114199      -1.13526277      -0.46859132
Zn       0.05531000       3.38498000      13.97999000       0.37695967       0.46892836       1.56636296
Zn      -2.58279000       4.99865000      13.16720000      -1.17172570      -0.10515351       0.49338018
Zn       2.99208000       1.70713000      22.80891000      -1.26907479      -0.00008154       0.40232387
Zn       0.12056000       3.37799000       4.00758000      -0.45754977       0.16136473      -1.54747973
Zn      -2.76883000       4.98000000       9.16042000       0.29049879       0.16146693       0.56181669
Zn       2.92998000       1.81940000      18.99327000      -0.42561920      -0.77835538      -1.23427411
Zn      -0.05903000       3.26309000      28.38710000      -0.85534823       0.39946102       0.44348665
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.40500261 magmom=72.0014463 free_energy=-551.40500269 stress="-0.03977248834662312 -0.0034753709720340966 0.00521996572127237 -0.0034753709720340966 -0.030738660058220717 -0.0026098494608616375 0.00521996572127237 -0.0026098494608616375 -0.035783439806638326" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42961000       0.93523000      15.75233000       1.08262151       1.59555301       0.74574861
Cr       4.35927000       0.99433000      16.00405000      -0.01026734      -0.70476724      -2.00295808
Cr       3.01155000       3.71442000      15.60354000       1.14327344      -2.25498893       1.81946182
Cr       4.18523000       2.51241000      25.41176000       0.89953668       0.32774143      -1.26923043
Cr       1.31302000       2.52975000      25.34607000      -0.02618415      -1.37330670      -1.45564260
Cr      -0.08785000       5.00029000      25.46963000      -1.90021931       1.85049349      -0.54487113
Cr       1.53506000       4.13325000       6.26170000      -1.78405151       2.88734172       0.69276219
Cr      -1.33893000       4.26360000       6.28383000      -0.05532382      -0.43716630      -0.77697548
Cr       0.01152000       1.71688000       6.19807000       0.47763944      -1.25950321       0.13555677
Cr      -0.02430000       0.27577000      18.08812000       0.47306454      -1.94124255       2.44613118
Cr       2.85090000       1.61040000      27.75868000      -1.86237911       0.96541244       0.15453135
Cr       0.11694000       3.36256000       8.63999000       0.64889722      -0.31138660       1.30870921
Cr       2.92052000       5.07069000       3.90284000      -0.82054447       0.48363801      -0.39005454
Cr       3.21580000       1.64215000      13.54945000      -3.13873290      -1.20637671      -3.60501928
Cr      -0.32050000       3.55376000      23.06944000       2.18025735       0.01359261       0.09348643
Cr      -0.04717000       1.93761000      20.62466000      -0.47604581      -1.77284041       0.92702632
Cr       1.44405000       4.18569000      20.66310000      -2.47662780       4.18121556       0.76540598
Cr      -1.77825000       4.37760000      20.42595000       2.98613306      -0.21067714       2.99049644
Cr       2.81914000       3.36927000       1.63239000       0.76770268      -0.53451082      -0.87306678
Cr       1.35156000       0.81682000       1.67693000      -0.61837321       2.02125813      -2.06577135
Cr       4.22075000       0.82893000       1.49055000       1.08911117      -1.52546826       2.75385927
Cr       0.18262000       4.87983000      11.09934000      -0.09561517       1.24005000       0.60250612
Cr      -1.34764000       2.36643000      11.06578000       1.32389228      -0.24366663      -0.16049368
Cr       1.60597000       2.35350000      11.04092000       2.75459251      -1.00760978      -0.06500425
O        1.32649000       0.86542000      19.40931000      -0.60506992       1.27861091      -0.19152193
O        4.61670000       0.93966000      19.50758000      -1.29328009       0.16431189      -0.98102032
O        2.60974000       3.77516000      19.25970000       2.41634625      -1.41647245       0.10157467
O        4.20912000       2.33293000       0.41528000      -0.35047027       2.09487551      -0.69519073
O        1.57302000       2.46470000       0.45274000      -0.01851430      -0.27492414       0.26662938
O        2.68113000       0.14967000       0.36577000       1.20906912      -1.58768536       0.52560355
O        1.51415000       4.06249000      10.04932000       0.99387408      -0.91292494      -2.81992709
O       -1.22198000       4.05880000       9.92404000       0.11622785      -0.77922822      -0.45098644
O        0.21265000       1.63929000       9.80856000      -0.59387319       1.55306902       0.36892072
O        1.92968000       0.70865000      12.26938000      -1.90607328       0.75662620       0.82886306
O        4.39142000       0.75391000      12.27892000       1.93414535       0.04698998       0.49644499
O        3.20038000       3.21441000      12.11750000      -0.70772672      -0.65751809       1.27149618
O       -1.49003000       2.86222000      21.79233000      -1.13724807      -1.27620553      -1.52485866
O        1.39746000       2.70842000      21.84545000      -1.29448579      -0.35148575      -0.00311248
O       -0.16679000       5.03375000      21.84270000      -0.01330589       0.18909993      -0.87329097
O        1.50701000       4.17412000       2.80329000      -0.00420553       1.19770802      -0.52958572
O       -1.66706000       4.32244000       2.56598000      -0.06125406      -1.57751294       2.32050986
O       -0.16334000       1.62401000       2.80945000       0.21812284      -0.88246771      -0.69436145
O        1.37576000       0.69778000       5.11995000      -0.61045481       0.28983866       0.26626556
O        4.50984000       0.80910000       5.10871000       1.16148385      -0.91304473       1.15655177
O        2.83865000       3.55842000       5.16194000       2.99452217      -1.21631000      -1.26020053
O        4.38847000       2.50926000      14.60151000       1.55109026       1.45409987       2.35832969
O        1.76500000       2.64332000      14.60054000      -0.55891116      -0.83605153      -0.15742869
O        2.96327000       0.10820000      14.95845000       0.54283195      -0.05561582      -1.99198468
O        1.19295000       4.21105000      24.28899000       0.13949960      -0.43304062      -0.53495438
O       -1.60486000       4.33329000      24.48886000       0.39938123      -1.85835746      -1.40197458
O       -0.19555000       1.85948000      24.21412000      -0.52304596       1.99613289       0.55820613
O        5.64590000       0.23620000      21.67848000       1.35081124      -1.02833303      -0.35607900
O        2.81682000       1.53169000       2.77646000       0.25638960       1.10948612      -2.60676279
O        0.28478000       3.21190000      11.98051000      -2.40453090      -0.51504604       2.43692516
O       -2.82884000       4.95513000       7.21976000      -0.90357995       1.19820052       0.33035589
O        3.04448000       1.90986000      16.91363000      -1.67038825       0.34876146      -0.10262239
O       -0.05218000       3.32598000      26.40097000      -1.37599503      -0.21103945       1.61663599
O        5.74886000       0.15807000       0.44660000      -0.00265311      -1.48353326       1.43015032
O        3.17562000       1.39103000      10.10656000      -0.79853143       1.97100231      -1.56400921
O       -0.10220000       3.56344000      19.49063000      -0.39092253      -0.04371361       0.39161613
O       -0.08671000       1.74306000      16.88937000       1.79952889       0.82181393      -0.22308415
O        1.72420000       4.32308000      16.92803000       0.86532550       2.39995994      -1.37883282
O       -1.52736000       4.49572000      16.92758000      -1.06176305       0.36288145      -0.35740826
O        2.68001000       3.11683000      26.47211000       1.54379964       1.73061892       1.37054717
O        1.43745000       0.93068000      26.47470000      -0.05912622      -0.85394332       0.73405430
O        4.07413000       0.87701000      26.46865000       2.36272635      -0.10253018       0.95584563
O        0.15341000       4.95793000       7.44863000      -0.69687275      -0.07263960      -0.17807824
O       -1.25639000       2.60671000       7.37550000       0.49455637       0.62963534      -0.06478879
O        1.43506000       2.58899000       7.34952000       0.20052585      -0.96256856       0.55818677
Zn       2.79230000       4.99301000      27.19472000       0.29223993       0.33261664      -0.97408614
Zn       3.13838000       1.90824000       8.24075000      -1.06329785      -1.48810903      -0.19099493
Zn       0.21202000       3.59808000      17.55562000      -2.37355433      -0.75803863       0.84297818
Zn       5.74868000       0.10424000      23.69635000      -0.43953343      -1.16489978      -1.15209277
Zn       2.91995000       1.70762000       4.63381000       0.19487000       0.21871137       0.08941587
Zn       0.09090000       3.37829000      13.92496000       0.33347413       0.51803510       0.31069526
Zn      -2.55836000       4.99245000      13.26466000      -0.77030018       0.19886631      -0.74025109
Zn       2.96317000       1.68558000      22.82211000      -0.39965913       0.17015497      -0.00778619
Zn       0.05294000       3.35978000       3.87204000      -0.41113048      -0.22739973      -0.47438353
Zn      -2.74155000       5.00149000       9.10679000      -0.47275385      -0.61115944       1.32300181
Zn       2.97127000       1.82447000      18.95641000       0.17070424       0.02524791      -0.44621285
Zn       0.00697000       3.24997000      28.43111000      -1.13139209       0.71165864      -0.20852628
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.12807409 magmom=71.9983706 free_energy=-552.12807409 stress="-0.041274059882973925 0.006880445206156887 0.012749110126073812 0.006880445206156887 -0.02858110405276986 -0.0045223216129456085 0.012749110126073812 -0.0045223216129456085 -0.03651711551051488" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50388000       0.85429000      15.86645000       1.94456071       2.35658987      -1.25288697
Cr       4.46291000       1.01319000      16.03673000       0.59276588       0.94492570      -3.24139239
Cr       3.03939000       3.68905000      15.72615000       0.88420347      -2.41980297       0.93725170
Cr       4.20381000       2.53364000      25.33591000       1.22701037      -0.17647678       0.37211040
Cr       1.27020000       2.42826000      25.31725000       0.91787970       1.94183065       0.59023199
Cr       2.80107000       0.00340000      25.40402000       1.04033355      -0.52285276       0.69821299
Cr       1.39762000       4.17449000       6.26422000       2.32025569      -0.06023093      -1.06831383
Cr      -1.34018000       4.24647000       6.27867000      -2.34336752      -0.63345881      -1.94016177
Cr       0.05263000       1.65300000       6.26901000      -0.89345728      -0.25510130      -0.20681709
Cr       0.01886000       0.28381000      18.19365000       0.90808955      -0.90966337       1.63542748
Cr       2.93004000       1.56289000      27.71417000      -0.77350273       1.41171561       1.52390291
Cr       0.03718000       3.45734000       8.63723000       2.52874951      -2.02847239       0.55609609
Cr       2.84535000       5.04440000       3.91519000      -0.52494451      -0.11508673      -0.38596749
Cr       3.07699000       1.61312000      13.52759000       0.94986943       2.47596046      -0.35221863
Cr      -0.19675000       3.45801000      23.01712000       0.34570110       1.08025470      -1.82681841
Cr      -0.09440000       1.87542000      20.64009000       0.32110744      -1.88504132      -1.11494691
Cr       1.32744000       4.32367000      20.74819000       2.31447816       0.33162929      -3.06598841
Cr      -1.66170000       4.47632000      20.47702000       1.84850097      -0.93266143       2.27416211
Cr       2.76292000       3.43296000       1.60262000       0.54145385      -1.95031128      -0.56142221
Cr       1.33982000       0.84664000       1.60475000       1.59544900      -1.50311985       0.43001744
Cr       4.33227000       0.91976000       1.42411000       0.02739784      -0.02761850       3.02450348
Cr       0.14586000       4.94165000      11.15054000       0.94590705      -1.03280742      -0.63408776
Cr       4.52654000       2.35411000      11.10157000       0.51781570      -0.39759375      -0.34668004
Cr       1.63625000       2.32275000      11.06201000      -1.27471079       1.79538508       0.30680832
O        1.24557000       1.08289000      19.45567000       1.12241740      -0.70136378      -0.03868234
O        4.55818000       0.91567000      19.43127000      -0.62704192      -0.53428595       0.60915399
O        2.97972000       3.73872000      19.28986000      -1.43554353       0.19175734       0.65453438
O        4.07457000       2.71337000       0.42450000       2.01500944      -2.40589605      -1.52783429
O        1.64836000       2.32074000       0.36808000      -1.57361232       0.57649460      -0.51793082
O        2.92821000       0.02722000       0.57529000      -1.19856408       0.35148662      -2.73585943
O        1.49828000       4.01718000       9.88590000      -0.03725068       0.69010218       0.49035157
O       -1.25800000       3.84768000       9.88525000      -1.31253777       3.08834272       0.97636550
O        0.16828000       1.79691000       9.84783000      -0.38163706      -1.30798429      -0.18881424
O        1.80624000       0.71690000      12.30896000      -0.33474857       0.22622708      -0.54900839
O        4.54858000       0.93076000      12.43766000      -0.63507983      -2.12077583      -1.05773562
O        3.13054000       3.11394000      12.25657000      -0.70552812       0.57527506      -0.36333574
O       -1.41682000       2.72901000      21.57333000      -2.23930853       0.88175442       2.99627608
O        1.40594000       2.58230000      21.60943000      -0.35483601       0.93025872       2.50692104
O       -0.06659000       4.97210000      21.76301000      -1.54326629       1.51756055       1.63864098
O        1.30853000       4.08417000       2.58138000       0.59299979       2.26656661       1.24234386
O       -1.82677000       4.16545000       2.77399000       1.51931710       1.25861336      -0.26781371
O       -0.13684000       1.50604000       2.70917000      -0.01213928       0.43470220       0.09114901
O        1.30221000       0.72909000       5.15806000       0.67062720      -0.17373876      -0.86417574
O        4.55373000       0.70179000       5.21103000      -0.83342168       0.71822214      -0.15308397
O        2.98608000       3.52895000       5.12919000      -0.23221266      -0.31596755       1.00977516
O       -1.43611000       2.56683000      14.73089000      -1.00044275       0.10126851       0.35579257
O        1.74916000       2.64492000      14.72369000      -0.34685956      -0.94833995      -0.54012356
O        3.08554000       0.18662000      14.70107000      -0.22518516      -1.63332643       2.12907219
O        1.20027000       4.20649000      24.32575000      -0.19843483      -0.55837865      -0.80158331
O       -1.60445000       4.21847000      24.52689000       0.54777861       0.76466159      -2.71676609
O       -0.23881000       1.97866000      24.15334000       0.31260656      -2.13510812       0.50255693
O        5.72137000       0.08972000      21.72366000       0.78173999       0.27016440      -0.06725218
O        2.89887000       1.60579000       2.60397000      -0.60713129       0.66028892       0.30660420
O        0.08699000       3.10634000      12.06452000       1.09285325       1.68355981      -0.24075648
O        2.99467000       5.02796000       7.22418000      -0.13423409      -0.15783054       0.68335570
O        2.99930000       1.80240000      16.85798000      -0.87110769       0.71521329       0.64872664
O       -0.04290000       3.32883000      26.47042000      -0.81166611       0.47648983      -0.53590947
O        5.79877000       0.00997000       0.51352000      -0.12489497       0.06562922      -1.07184661
O        3.00133000       1.54650000       9.99693000       1.09289470      -1.12524677       0.64669698
O       -0.14613000       3.54192000      19.65263000       0.89354664       0.71255277      -2.01964196
O        0.18593000       1.83163000      16.91894000      -1.05225036      -1.43989523      -0.00858600
O        1.79794000       4.52205000      17.00267000      -1.62333348      -0.89824711      -0.67261807
O       -1.53773000       4.50567000      17.09929000       0.05096604      -0.28539105      -1.17084995
O        2.81897000       3.17543000      26.43460000      -1.10642505      -0.86277427       0.73793891
O        1.42036000       0.90707000      26.48202000       1.01687986      -0.53149206       0.41096013
O        4.34277000       0.97097000      26.40520000      -1.59461197      -1.27917622       0.40933502
O        0.04253000       4.96219000       7.31488000       0.06633549       1.27509788       1.77563512
O       -1.19231000       2.62607000       7.40043000      -1.32588650       0.01890974      -0.22491761
O        1.30875000       2.55421000       7.38866000       1.75617886       0.36960258       0.23717986
Zn       2.82460000       4.97487000      27.09926000       0.23978486       0.10340346       0.95847741
Zn       3.10660000       1.92687000       8.15030000      -0.95550182      -0.76111787      -0.83286388
Zn       0.14309000       3.59125000      17.54727000      -0.19167931       0.65396840       1.21534033
Zn       5.78001000       0.03313000      23.71234000      -0.56498279       0.12250548      -0.93742987
Zn       2.92627000       1.68000000       4.69102000       0.31583782      -0.23542417      -1.39271850
Zn       0.14439000       3.40000000      13.90639000      -0.00926208       0.20746709       1.40812350
Zn      -2.58386000       4.99112000      13.34429000      -1.18450463      -0.12498512      -0.11661248
Zn       2.90747000       1.67226000      22.84016000      -0.19205136       0.23852351      -0.78902334
Zn      -0.04425000       3.33014000       3.72555000      -0.66520321      -0.12823883       0.07386078
Zn      -2.73786000       5.00020000       9.12493000      -0.52471116       0.30272964       1.36953619
Zn       3.01397000       1.82898000      18.88501000      -0.87133575       0.47118186      -0.22079946
Zn       0.01136000       3.27511000      28.47395000      -0.41089549       0.25641126       0.18884611
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.45597105 magmom=72.0041904 free_energy=-553.45597105 stress="-0.030547330908849573 0.001476375500235985 -0.005635661663500913 0.001476375500235985 -0.03260673298547736 0.005504694373580514 -0.005635661663500913 0.005504694373580514 -0.032459539313482416" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64916000       0.88971000      15.94103000      -0.87853625      -0.52011944      -2.82723843
Cr       4.63704000       1.05637000      15.93843000      -1.30198152      -1.24702463      -1.08763488
Cr       3.08987000       3.53834000      15.91418000      -2.47724157       0.64682206      -0.43894497
Cr       4.26761000       2.54204000      25.31063000       0.40318718       0.53693328      -0.08343520
Cr       1.28388000       2.42437000      25.33332000       0.22106044       1.53286753       0.84010603
Cr       2.79718000       0.10326000      25.41870000       1.73253036      -3.90402515      -2.90895062
Cr       1.36313000       4.22529000       6.24209000       0.88129220      -1.07861879       1.33997322
Cr      -1.43859000       4.20892000       6.19015000       1.00438140       1.00852114       1.32063031
Cr       0.05345000       1.59207000       6.33790000      -0.39551545       1.64961459      -0.44230173
Cr       0.09893000       0.23562000      18.33868000      -0.69100525      -1.52372951      -2.05432119
Cr       2.97681000       1.56950000      27.73568000      -0.67177908       0.82492191      -0.01989801
Cr       0.07424000       3.43448000       8.68995000      -1.26982707      -0.52244045      -0.36925010
Cr       2.74539000       5.01864000       3.90540000       0.82009785       0.11784008      -0.10946037
Cr       2.98353000       1.66655000      13.48719000       1.67504939      -1.26758642       1.65373594
Cr      -0.06721000       3.40938000      22.88583000      -1.82850602      -0.26598003       1.80095864
Cr      -0.14363000       1.73946000      20.61084000       0.36528236       2.88783273       1.58613245
Cr       1.32166000       4.49145000      20.68770000       1.91489047      -3.62548524       0.16437460
Cr      -1.45991000       4.51067000      20.61889000      -1.02723663      -1.84626112       0.18207423
Cr       2.75434000       3.39914000       1.53059000       0.41098990       1.01161228      -1.12846963
Cr       1.41540000       0.79723000       1.52883000       0.34494061      -1.90368657      -0.32319378
Cr       4.39854000       0.98914000       1.45851000      -0.92630910      -1.87116956      -0.73802032
Cr       0.15672000       4.95573000      11.17295000      -0.57652674       0.81689679      -1.30737846
Cr       4.53811000       2.33246000      11.12460000      -0.95216660       1.18250080      -0.56327917
Cr       1.61283000       2.38121000      11.07870000      -1.69613006       1.14338389      -0.85464780
O        1.34622000       1.16696000      19.51572000      -0.03098531      -1.67577621       0.09960335
O        4.44037000       0.77971000      19.46266000       0.80663103       1.54791405      -0.61011217
O        3.11287000       3.73982000      19.47702000      -1.57481759       0.23639955      -0.56032638
O        4.17774000       2.66472000       0.24803000      -0.43992216      -1.57700194       1.23083141
O        1.51627000       2.26988000       0.26280000       0.52655784       0.64205389       0.73217398
O        3.00234000       0.04090000       0.37101000      -0.56500524       1.27430024       0.21036464
O        1.46237000       4.05062000       9.79665000       0.31159995       0.45889996       1.96357438
O       -1.36894000       4.08277000       9.99433000       2.01687845      -0.65678579       0.35030302
O        0.06273000       1.80455000       9.88378000       0.41916287      -0.46394450      -0.18364798
O        1.66772000       0.82186000      12.25704000       0.56497298      -0.72322110       0.34547864
O        4.52843000       0.79081000      12.36538000      -1.10082672      -0.22531010      -0.45607188
O        2.96074000       3.08030000      12.28575000       0.98737746       1.67079598      -0.73687275
O        4.32741000       2.70456000      21.75571000       1.05646895      -0.23664577      -0.63595857
O        1.23967000       2.66412000      21.75119000       0.55161258       0.05656939      -0.59761527
O       -0.13654000       5.08477000      21.87946000       1.24636196       0.34199931      -0.38983716
O        1.35555000       4.42141000       2.55390000       0.17053399      -1.03077084       1.25994099
O       -1.79317000       4.23100000       2.87565000       0.71745382      -0.18941378      -2.24533582
O       -0.07918000       1.40384000       2.62378000       0.49116995       2.28644448       1.37731601
O        1.25647000       0.69495000       5.07469000       0.60477930       0.50110277      -0.17991325
O        4.53709000       0.70495000       5.27883000      -0.81796047       1.25659275      -1.38731351
O        3.08493000       3.46363000       5.21849000      -2.85151558      -0.23577075      -1.16844246
O        4.37538000       2.63867000      14.93120000       1.53289036      -0.15041843      -2.75631177
O        1.73823000       2.47113000      14.75827000      -0.36873102       0.66790165      -0.47080851
O        3.16779000       0.12846000      14.75784000      -0.29399751       0.59233637       0.55600195
O        1.15502000       4.08508000      24.22838000       1.35959486       0.95842162       0.39199278
O       -1.41865000       4.14325000      24.11495000      -0.91804499       0.90755910       1.53908507
O       -0.20072000       1.86902000      24.18720000       0.46771937      -1.08671122      -0.45957982
O        0.00260000       0.00397000      21.65909000      -1.37624402       1.57160638       0.45669296
O        2.86877000       1.77074000       2.37997000       0.01633754      -1.53172821       3.05311290
O       -0.00688000       3.29649000      12.09417000       1.33040150      -0.57839998       0.41532542
O        2.88391000       5.07430000       7.29141000       0.51476640      -0.96370686       0.19970511
O        2.85885000       1.85138000      16.91135000       3.00011197       0.36950430       0.95722135
O       -0.19116000       3.41267000      26.40899000       0.45745275      -0.14252737      -0.23619070
O        2.86514000       5.00947000       0.50415000       0.13381244       1.44083917      -1.02046068
O        3.00831000       1.56253000      10.02820000       0.81646694      -0.42064921       0.10172409
O       -0.05226000       3.61303000      19.56049000       0.08670893      -0.54447922       0.28992524
O        0.25863000       1.72719000      16.93740000      -1.39345593       0.41866121       1.30448594
O        1.69437000       4.54455000      16.93436000       0.43668096      -0.57129860       1.30129496
O       -1.57124000       4.46734000      17.04368000       0.44928494      -0.08770213       0.96961725
O        2.79461000       3.09546000      26.51011000      -0.13779128       0.41368449      -0.80365955
O        1.55626000       0.83337000      26.55624000      -1.37632728       0.65323875       0.26882759
O        4.34900000       0.87553000      26.38688000      -1.31163677       0.38907681       0.40257198
O       -0.06195000       5.04223000       7.40161000       0.57049533      -0.62247090      -0.29843473
O       -1.25628000       2.69201000       7.35153000       0.03748226      -0.80293001       0.64687000
O        1.39417000       2.59502000       7.40523000      -0.95644653       0.45723150      -0.50983869
Zn       2.87310000       4.96088000      27.04617000       0.30198971      -0.24179583       1.05822739
Zn       3.02632000       1.89526000       8.03566000       0.40145796      -1.14821488       0.71208361
Zn       0.05391000       3.60224000      17.59601000       0.90382724      -0.15839970       0.14696315
Zn       2.82813000       5.06857000      23.67901000      -0.28679729      -0.19696986      -0.45524681
Zn       2.94395000       1.64838000       4.68760000      -0.52614659      -0.33658552      -1.09434142
Zn       0.19731000       3.43330000      13.96349000      -0.25162533      -0.08467266       1.43898887
Zn      -2.66805000       4.98582000      13.42296000      -0.75068956       0.20124790      -0.23161614
Zn       2.84407000       1.67832000      22.83680000      -0.10522792       1.08844372       0.11136797
Zn      -0.16963000       3.29686000       3.60230000       0.39316079       0.31756792       0.23107292
Zn      -2.76648000       5.01334000       9.21522000      -1.01416546       0.70832608       0.30784476
Zn       3.01454000       1.86256000      18.80366000      -0.36892355       1.05388185       0.76700347
Zn      -0.00629000       3.31317000      28.50781000       0.05413992       0.41808003      -1.34121787
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.60329612 magmom=72.0016392 free_energy=-553.60329612 stress="-0.03679848958884521 -0.005609902474742192 -0.012581488094573998 -0.005609902474742192 -0.03804627853673397 0.0033687438325651045 -0.012581488094573998 0.0033687438325651045 -0.034472410458980536" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.72589000       0.91431000      15.91507000      -2.14351114      -0.65668283       1.68181284
Cr       4.74788000       1.03767000      15.80649000      -1.06322341      -1.40627222       1.06630765
Cr       3.03226000       3.44058000      16.05594000      -0.12539903       2.01610784      -2.96848154
Cr       4.33274000       2.54492000      25.31291000      -1.07690023      -0.85976108      -2.02205571
Cr       1.31185000       2.50314000      25.39937000      -0.52873953      -1.15740037      -1.48942302
Cr       2.87026000       0.02085000      25.34285000      -1.10469260      -0.21170324      -2.26907218
Cr       1.38026000       4.23560000       6.28509000      -0.50658868       1.33282445      -0.66740112
Cr      -1.50205000       4.20469000       6.16166000       0.24938382      -0.16575264       0.78654443
Cr       0.01950000       1.62476000       6.37472000      -0.62077268       0.09042847      -1.88177230
Cr       0.13913000       0.13574000      18.42015000      -1.26690673       0.32377837      -2.87620668
Cr       2.98424000       1.61701000      27.72807000      -2.65348274       1.03261941      -2.05260805
Cr       0.06229000       3.38190000       8.73784000      -1.00920377       0.98628989      -0.08312535
Cr       2.72561000       5.02098000       3.89046000       3.08849978       1.87272339       0.09243651
Cr       2.99618000       1.67503000      13.50683000       1.47035384      -0.16110888      -1.73705635
Cr      -0.06972000       3.38837000      22.88630000       0.29364687       0.08903060       2.32188040
Cr      -0.14496000       1.73923000      20.59752000       1.63737504       3.73491847       0.97884576
Cr       1.44389000       4.44756000      20.61182000      -0.04938534      -1.63234764       1.58337623
Cr      -1.36800000       4.45482000      20.72972000      -2.28040328      -0.88204236      -0.37360731
Cr       2.77726000       3.38635000       1.41110000       0.29191847       0.39444857       1.45860120
Cr       1.50915000       0.67614000       1.44201000      -1.56107254       2.70225331       1.03604659
Cr       4.38834000       0.95479000       1.44999000       0.95549405      -1.49440305       2.39692923
Cr       0.13007000       5.00792000      11.12880000      -1.36214533       0.65726355       0.63307466
Cr       4.51094000       2.37837000      11.12726000      -0.05428796       1.59149844       0.90212823
Cr       1.51202000       2.49427000      11.06277000       1.73870685      -1.30750235       1.05389574
O        1.46851000       0.94692000      19.61172000      -0.48599040       0.28134877      -0.61812382
O        4.48291000       0.87625000      19.43222000       0.46530228       0.23607372      -0.20310609
O        2.95146000       3.76112000      19.58486000       0.77849154      -1.21764413      -0.19259467
O        4.26030000       2.38993000       0.28265000      -0.00433652       2.58114200      -0.02794949
O        1.50548000       2.34035000       0.32146000       0.62397567       0.54591609       0.02337887
O        2.95631000       0.16465000       0.25732000       0.48908069      -2.14073719       1.38841083
O        1.41497000       4.11859000      10.01560000       0.98455916      -0.30474905      -1.92421360
O       -1.17733000       4.20008000      10.10068000      -2.25576375      -1.79559154      -2.40811687
O        0.03258000       1.77596000       9.91091000       0.53952050       0.19040376      -0.29584389
O        1.69935000       0.86060000      12.24807000      -0.74954789      -0.20040270       0.99707120
O        4.30135000       0.69119000      12.21872000       2.37945471       2.22648262       2.53775353
O        2.96613000       3.22983000      12.19529000       0.71878271      -0.41728794       0.99620214
O       -1.50189000       2.69982000      21.84233000      -0.01544640      -0.21149062      -1.61656167
O        1.23601000       2.73568000      21.73785000       1.40745065      -0.74729770      -0.76093253
O        2.93321000       0.02338000      21.89894000       0.73495048      -0.54138181      -0.60204219
O        1.46607000       4.56028000       2.68544000      -1.67838719      -2.75167373      -1.94853760
O       -1.70733000       4.29629000       2.54784000      -0.52157905      -1.45017682       0.88238547
O        0.01951000       1.59214000       2.69877000      -0.55299603      -1.23085674      -1.06599377
O        1.26949000       0.69493000       5.00687000      -0.42800488      -0.12831799       1.33550348
O        4.48960000       0.83302000       5.16262000       1.12622560      -1.03650999       0.95491654
O        2.76118000       3.47365000       5.17699000       0.93858736       0.16034550      -0.69821661
O       -1.46819000       2.65780000      14.71967000      -0.35781381      -0.38385615       0.17154734
O        1.71710000       2.40334000      14.72778000       0.07725503       1.44141412       0.85674740
O        3.18510000       0.18774000      14.94079000       0.18350177      -0.43688335      -1.77286405
O        1.26686000       4.07984000      24.20273000      -0.32199194       0.24788373       0.62230693
O       -1.35100000       4.23619000      24.01030000      -0.95779339      -0.37091312       2.40943027
O       -0.07680000       1.67039000      24.20961000      -0.44161671       2.12375742       0.44606992
O       -0.02811000       0.18459000      21.61747000       0.03537304      -1.20820899       1.16960811
O        2.84160000       1.72080000       2.58058000       0.51057646       0.02345686      -1.12481093
O        0.13668000       3.35655000      12.12698000      -0.72309566      -1.12289194       1.00731821
O        2.88455000       4.98666000       7.33087000       0.63067667       0.43758599       0.09653370
O        3.18048000       1.85991000      16.95782000       0.01155102      -1.89702384      -0.73733935
O       -0.22907000       3.46308000      26.26551000       1.14725292      -0.58935180       2.39711104
O        5.84215000       0.01774000       0.37317000      -0.23060266      -0.67268397       0.51581294
O        3.13287000       1.54418000      10.09971000      -1.32995587       1.22302240      -1.98544981
O        0.04919000       3.59185000      19.58240000      -1.07218054      -0.66017154       0.33231619
O        0.10857000       1.65298000      17.10975000       1.40805417       0.53942446      -0.61281910
O        1.69536000       4.41886000      17.05725000       0.70113857       0.63952497      -0.13975765
O       -1.57412000       4.43042000      17.07470000       0.32625414       0.46358840       0.10973040
O        2.75054000       3.09056000      26.43206000       1.70223906       1.82122876       0.79372228
O        1.51235000       0.87553000      26.56305000       0.21993214      -0.01819929      -0.77117721
O        4.15136000       0.87335000      26.41459000       2.21761220       0.14373933       0.45222722
O       -0.04502000       4.95565000       7.42511000      -0.46457008       0.29143703      -0.22678493
O       -1.29732000       2.65269000       7.38123000      -0.19266072      -0.13459614       0.47136255
O        1.30651000       2.70288000       7.34433000       0.76245552      -1.81592066       1.36289176
Zn       2.93055000       4.93831000      27.05092000      -0.55750436       0.40449558      -0.19712571
Zn       2.96164000       1.80766000       7.95944000       0.08731597      -0.87961985       1.09481277
Zn       0.01578000       3.60317000      17.65240000       0.94588118      -0.67456458       0.14655368
Zn       2.81363000       4.98445000      23.61894000       0.39292720       0.03625335      -0.80366855
Zn       2.92292000       1.60799000       4.61615000      -1.20411405       0.57667108      -1.32468140
Zn       0.23151000       3.46496000      14.09000000      -0.47012818       0.30846349      -0.31234452
Zn      -2.78832000       4.98836000      13.48931000      -0.05816828       0.21584541      -1.17508077
Zn       2.78049000       1.74029000      22.84788000       0.10130560       0.61186960       0.13810513
Zn      -0.26919000       3.28314000       3.51449000       0.58599772       0.83247004       0.83906873
Zn      -2.83490000       5.04999000       9.32583000       0.07378624      -0.62499009       0.36349325
Zn       2.98739000       1.94528000      18.77979000      -0.47309710       0.11300786       2.14415869
Zn      -0.02815000       3.37053000      28.47653000      -0.07878630       0.05793285      -1.08148365
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.76608853 magmom=71.9981943 free_energy=-552.76608854 stress="-0.039788972346986834 0.004198632212371876 0.006982129476096273 0.004198632212371876 -0.042253595902677146 -0.010418970083126556 0.006982129476096273 -0.010418970083126556 -0.03460634808309394" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.67781000       0.89966000      15.97179000       0.65325851       0.45775390      -0.11348587
Cr       4.80006000       0.92388000      15.74747000      -0.78742390       0.35904681       0.60856828
Cr       2.97323000       3.45683000      16.04917000       3.12780389      -1.03862963      -2.02549506
Cr       4.33787000       2.49997000      25.26469000      -0.27861644      -0.48083604       1.64377683
Cr       1.34355000       2.52843000      25.41655000       1.00398400       0.31187666      -0.55550895
Cr      -0.05033000       5.05072000      25.20951000       0.28439880       2.96142097       3.75243126
Cr       1.37609000       4.28692000       6.31838000       0.65796700      -1.20149596      -0.35401141
Cr      -1.53391000       4.18729000       6.19912000      -0.36705281      -1.39127605       0.58964114
Cr      -0.04524000       1.68333000       6.31695000       0.54539158      -0.08014413       0.45101655
Cr       0.10237000       0.07388000      18.42337000       0.31312911       1.48562623      -1.56673081
Cr       2.87456000       1.71224000      27.65361000       1.44785276      -0.97119252       1.01751540
Cr      -0.00228000       3.37247000       8.75323000       1.15083891      -0.54390903      -2.09601811
Cr       5.80472000       0.00189000       3.84155000      -0.21261501      -1.40879577      -0.98812101
Cr       3.08294000       1.68163000      13.45518000      -1.38258630       1.44291844       1.88191114
Cr      -0.09600000       3.39051000      23.02682000       1.66457113       0.06900320      -1.72435092
Cr      -0.02975000       1.87674000      20.58797000       1.38232580      -2.73180165       0.65757812
Cr       1.56697000       4.30666000      20.61344000      -2.20237677       1.96548939       1.06720734
Cr      -1.43140000       4.36538000      20.77032000       0.23261582       0.89232316      -0.44194148
Cr       2.82416000       3.39615000       1.35630000       0.15232616      -0.26417130       1.89052458
Cr       1.51296000       0.70993000       1.40508000      -1.47320512       1.65091551       1.23781512
Cr       4.40367000       0.83960000       1.52029000      -0.09388204      -0.01341984      -0.40742977
Cr       2.99050000       0.00341000      11.10950000       0.37393255      -0.77726425       0.54140333
Cr      -1.42678000       2.50676000      11.16218000       1.33129409      -0.05281568      -0.67721667
Cr       1.51329000       2.53460000      11.10831000       1.63754217      -0.93467970       0.61729758
O        1.49028000       0.78952000      19.61187000      -0.36512029       1.38437906      -0.85717039
O        4.61450000       1.05237000      19.37838000      -0.34478818      -1.54859453       0.88277137
O        2.95880000       3.60131000      19.61355000       1.46985789       2.21830133      -0.40050690
O        4.28574000       2.49544000       0.35337000      -1.10018012      -0.82399658      -0.92392549
O        1.58830000       2.44811000       0.35611000      -1.29157252      -1.12552017      -1.88310780
O        2.97825000       0.03404000       0.39150000       0.09571519       2.11138683      -1.27256839
O        1.42828000       4.12823000       9.99017000      -0.90823776       0.48435040      -0.14528789
O       -1.26120000       4.03912000       9.91305000      -1.24893344       1.93458199       1.82499989
O        0.09379000       1.83800000       9.93871000      -0.35691971      -0.72066686       0.55007537
O        1.68285000       0.86940000      12.37714000      -0.45851199      -0.29174026      -0.93040457
O        4.35406000       0.94562000      12.36154000       1.11858746      -1.87634592      -1.70162292
O        3.09126000       3.25760000      12.25631000      -1.26720046       0.58497046       0.32535153
O       -1.31976000       2.69859000      21.68778000      -1.44844258      -0.16344030       2.20109364
O        1.50441000       2.65986000      21.58162000      -0.70769906      -0.18402607       2.33469670
O        0.18531000       4.96808000      21.79494000      -1.79963327       0.65952392       1.36260903
O        1.45026000       4.25075000       2.56385000       0.44669261       0.68527546       0.46406366
O       -1.73484000       4.18508000       2.36578000       1.10304529       0.97068416       2.83251197
O        0.00122000       1.52005000       2.59799000       0.10554786       0.05968436       0.20218533
O        1.20884000       0.67724000       5.19576000       1.35833024       0.93489348      -1.41644673
O        4.62152000       0.76442000       5.19240000      -2.55867081       0.65282908      -0.83656271
O        2.58925000       3.55360000       5.00879000       2.04115943      -1.18356355       0.48442856
O       -1.45841000       2.54753000      14.54551000       0.56640746       0.26661836       2.03020315
O        1.78074000       2.53732000      14.85947000      -0.43020160      -0.40130727      -0.17179971
O        3.18666000       0.24030000      14.82299000      -0.30434631      -0.98100558      -0.34135529
O        1.28634000       4.10628000      24.29413000       0.42713011       0.06720772      -1.20459328
O       -1.43737000       4.19731000      24.32351000      -0.87677417      -0.54835486      -2.40798075
O       -0.05268000       1.87310000      24.28273000      -0.27068016      -1.54785830      -1.38360535
O       -0.07033000       0.20268000      21.69935000       1.06630570      -0.84179662      -0.48917883
O        2.91284000       1.62064000       2.54524000      -0.15310623       0.20962626      -0.48527696
O        0.16463000       3.22120000      12.25442000      -1.07282955       1.69752939      -0.71719106
O        2.98047000       4.98267000       7.32766000      -0.81102036       0.62175123       0.62712379
O        3.44685000       1.65130000      16.83211000      -3.08253396       1.52700678       1.70316921
O       -0.08549000       3.40275000      26.40079000      -0.35750935       0.13673055      -0.37251720
O        5.83723000       0.03664000       0.38426000       0.17938261      -0.47113879      -0.46757939
O        3.05119000       1.70865000       9.94844000      -0.44479413      -0.65567793       1.26425927
O       -0.02265000       3.49736000      19.71230000       0.62451743       1.57565297      -2.39428670
O        0.18972000       1.64534000      17.13036000       0.80983830       0.13550591      -0.84764339
O        1.82472000       4.42915000      17.13567000      -2.00745449      -0.08384916      -0.27010098
O       -1.55081000       4.46703000      17.11132000       0.61762831      -0.96809144      -0.12604810
O        2.93144000       3.29016000      26.37077000      -0.66228684      -2.37850430      -0.03066422
O        1.51794000       0.93727000      26.38291000       0.78125936      -1.06942441       0.69725369
O        4.28001000       0.90196000      26.45021000      -0.80597989      -0.06375108      -0.86022598
O       -0.10345000       4.86113000       7.37241000      -0.23477782       1.08624607       0.69564791
O       -1.32035000       2.59767000       7.46325000      -0.75143787      -0.03477746      -0.45421155
O        1.27111000       2.58483000       7.44308000       0.52809988       0.48348023      -0.42188590
Zn       2.95972000       4.95371000      27.06352000      -0.41111545       2.29680652       0.77316090
Zn       2.90730000       1.67423000       7.94255000       0.14840894      -0.07586517       0.59061306
Zn       0.03139000       3.56876000      17.71088000       0.56431552      -0.37502106       0.08541636
Zn       2.81890000       4.91273000      23.52354000       0.25291859       1.17710170       0.52848182
Zn       2.84454000       1.59295000       4.48433000       0.07441593       0.43818288       0.13925409
Zn       0.23769000       3.50893000      14.20750000      -0.66584519      -0.32448485      -0.66542073
Zn       2.99189000       5.00374000      13.50804000       0.63734324       0.21517471      -1.06557867
Zn       2.72865000       1.83215000      22.87456000       0.87700404      -0.77962990      -0.34841812
Zn      -0.33132000       3.31040000       3.47643000       1.04303537       0.16754612       0.37172141
Zn      -2.90205000       5.06246000       9.44248000       0.41858186       0.04162197      -0.81840735
Zn       2.94349000       2.01770000      18.84807000       0.42489803      -3.70106678      -0.99998027
Zn      -0.05032000       3.41975000      28.38846000       0.25670303      -1.31109340      -0.26591475
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.91963641 magmom=72.0066376 free_energy=-552.91963641 stress="-0.04053687064012363 0.007798971429105503 0.0036151920798269087 0.007798971429105503 -0.04082181759545496 0.0009934542729784913 0.0036151920798269087 0.0009934542729784913 -0.043690228886905005" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.66497000       0.89707000      16.03539000       2.64333333      -0.92522409      -2.84633475
Cr       4.77823000       0.82728000      15.76859000      -1.90755584       0.37815666       1.19223653
Cr       3.09129000       3.45456000      15.95565000       1.17070635      -0.39352122       0.38456061
Cr       4.31917000       2.40580000      25.30622000       2.22001770       1.83729139      -1.87901055
Cr       1.44429000       2.53914000      25.41961000      -0.88354166      -0.42625232      -2.61138190
Cr       2.92988000       0.02246000      25.28034000       0.13298808      -2.08164386      -0.91642738
Cr       1.40017000       4.27990000       6.32544000       0.33081111      -0.75709849      -1.05594205
Cr      -1.58391000       4.11267000       6.28016000      -0.71812863       0.99550079      -1.10790836
Cr      -0.09022000       1.73093000       6.26742000       0.30332138      -1.28141642      -0.46249938
Cr       0.06299000       0.09742000      18.38543000       0.87261664       0.81419292      -3.29957133
Cr       2.82313000       1.76703000      27.62491000       2.58247484      -2.72594744       0.81976106
Cr      -0.03514000       3.34146000       8.68279000      -0.45754725      -0.07618434       1.56249848
Cr       0.03034000       0.01593000       3.76828000      -2.29467599      -1.81966561       3.58916939
Cr       3.12238000       1.75011000      13.48368000      -0.57485755      -0.52843170       0.88716859
Cr      -0.02912000       3.39556000      23.06582000      -0.21480365      -0.38313974      -1.00954601
Cr       0.15669000       1.87727000      20.58481000      -1.77781490      -0.96938943       1.24555830
Cr       1.58180000       4.29279000      20.65374000      -1.35209274       1.62663447       0.12398817
Cr      -1.47850000       4.32742000      20.75101000       4.58593992       0.14141056       0.10949369
Cr       2.89191000       3.36944000       1.38507000       0.00487819      -1.09835850       0.56885324
Cr       1.44230000       0.86095000       1.39909000       0.29031245      -1.40403263      -0.64795948
Cr       4.40725000       0.70393000       1.55290000      -0.94012590       0.51737576      -2.80444236
Cr       2.91511000       0.06997000      11.13107000       1.26337787      -1.67282476      -0.31787037
Cr      -1.39802000       2.64123000      11.17367000      -0.34390487      -1.82831787      -0.29352746
Cr       1.59085000       2.52842000      11.20549000      -2.71055702       1.53775258      -0.44054218
O        1.44636000       0.90847000      19.47178000       0.04993890      -0.09133259       0.89295395
O        4.68076000       0.95610000      19.52321000      -0.93718566      -0.35341502       0.25711634
O        3.20381000       3.72650000      19.54052000      -3.01782519      -1.98535624      -1.01377740
O        4.13743000       2.51012000       0.24999000       1.85267691      -0.27605306      -0.21195442
O        1.46762000       2.39979000       0.14172000       0.20540751       0.48770107       1.54040171
O        2.99372000       0.23580000       0.31018000      -1.15570134      -1.64349932      -0.94778760
O        1.24385000       4.17943000       9.91222000       0.53452583       0.29636099       0.37310784
O       -1.46264000       4.11052000       9.95857000       2.13074990       0.64327232      -0.05064907
O        0.09781000       1.86851000      10.05618000      -0.62204939      -0.19810461      -0.74537561
O        1.66297000       0.88634000      12.34306000       0.04064853       0.74888262       0.56697696
O        4.51140000       0.99396000      12.27476000      -1.29431365      -0.77964352       0.01302812
O        3.02191000       3.29641000      12.35485000      -0.07057092       0.84423444      -0.19774445
O       -1.28037000       2.68684000      21.82235000      -0.84647578      -0.77844230      -0.78674899
O        1.54376000       2.66505000      21.77278000      -1.49255925       0.71220716      -0.63397240
O        0.07008000       4.86144000      21.88206000       0.22210899       2.21975880      -0.58351571
O        1.52687000       4.07189000       2.49041000      -0.74202865       1.55239285       1.34497151
O       -1.69395000       4.25715000       2.64375000       0.24272650       0.55965318      -2.05023224
O       -0.02179000       1.40478000       2.51059000       0.04244016       2.56182147       0.96268034
O        1.30426000       0.74671000       5.19143000      -0.90786031      -0.54630165      -0.77131137
O        4.40122000       0.76195000       5.12088000       0.96984840      -0.02677917      -0.32282111
O        2.82541000       3.49978000       4.96576000       0.16152622       0.56818057       1.23388728
O        4.49482000       2.42146000      14.77032000       0.28107157       1.72170796      -0.32835514
O        1.78714000       2.56058000      14.95267000      -0.70334151      -0.68798598      -1.82573982
O        3.15531000       0.21220000      14.64360000       0.12795172       0.45803377       1.78745713
O        1.29225000       4.13213000      24.24470000       0.73845569       0.29320859       0.54187133
O       -1.52950000       4.05947000      24.27692000       1.25709987       0.92898554      -0.56619327
O       -0.06669000       1.86893000      24.19074000       0.66971070      -2.04347558       0.64608002
O        0.06873000       0.03575000      21.62080000      -0.83258407       1.57961675       0.68688113
O        2.94474000       1.58712000       2.35915000      -0.72026725       1.11474169       2.06787254
O        0.02149000       3.39407000      12.18303000       1.00988952       1.10357283       0.83601526
O        2.93328000       5.09097000       7.34922000      -0.69787495      -0.06948680      -0.20499099
O        3.20069000       1.67576000      16.90058000       0.32875031       0.60370845       0.89253496
O        0.02775000       3.34388000      26.40115000      -1.08757110       0.58768325      -0.82666756
O        2.91570000       5.04859000       0.41577000       0.08641029       0.34189961      -0.64307447
O        2.88222000       1.75252000      10.04300000       1.38509929      -0.67158535      -0.24515022
O        0.00958000       3.59245000      19.58041000       1.00160163      -0.61799327       1.91454484
O        0.34980000       1.64458000      16.97894000      -3.24334308       0.47773234       1.80509221
O        1.70049000       4.42588000      17.07785000       0.99972118      -0.32318469      -0.31045962
O       -1.47164000       4.37815000      17.08471000      -0.62090721       0.04850438       0.05432470
O        2.99295000       3.17131000      26.37036000      -1.29591549       1.95116162       1.04151631
O        1.64473000       0.82262000      26.30662000      -1.96691746       0.87638551       2.02617433
O        4.31035000       0.87864000      26.32629000      -0.12407458      -1.29598182       1.89856226
O       -0.18650000       4.86723000       7.38324000       1.04977225      -0.58736014       0.06749835
O       -1.41504000       2.55749000       7.43050000      -0.30654672      -0.32356405       0.09968987
O        1.27156000       2.56023000       7.44285000       0.06472140       0.71391585      -0.75289968
Zn       2.96545000       5.07325000      27.09851000      -0.15143931      -0.00844761      -0.55573436
Zn       2.86094000       1.53283000       7.97036000       0.03798230       1.14593172       1.18586754
Zn       0.08445000       3.50924000      17.76510000       0.41589956      -0.38078211      -1.80594405
Zn       2.84052000       4.90503000      23.45877000       0.29938418       1.29564646       1.15269351
Zn       2.76829000       1.60381000       4.34920000       0.74972101       0.66193836       0.15309069
Zn       0.20817000       3.52712000      14.28891000      -0.53832649      -1.63520286      -1.23474726
Zn       2.89939000       5.03468000      13.47956000       0.67007211       0.39104000      -0.85817114
Zn       2.73472000       1.87906000      22.90783000       2.10787444      -1.58244744       0.81730826
Zn      -0.32927000       3.34930000       3.47867000       2.13123205      -0.92888173       1.28810865
Zn       2.94085000       5.07949000       9.52165000      -1.19213808       0.79836787      -0.78985476
Zn       2.91628000       1.92317000      18.88343000       1.45239952      -0.62521178      -0.41094454
Zn      -0.06689000       3.41449000      28.28897000      -0.97477282       0.69540396       0.73618485
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.14332488 magmom=71.9983492 free_energy=-551.14346381 stress="-0.03624882213110871 -0.0106140161448048 -0.005984702663562921 -0.0106140161448048 -0.04285294974265549 0.009150084659630056 -0.005984702663562921 0.009150084659630056 -0.046062726906569026" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.74962000       0.86319000      15.98402000      -2.50997042       0.67969825      -0.73514942
Cr       4.65427000       0.76270000      15.88482000      -0.26735496       2.15143980      -0.87841786
Cr       3.28129000       3.43725000      15.89536000      -4.31162565       0.28579186       0.75036356
Cr       4.39112000       2.37767000      25.31562000       0.74191794       1.68713541      -1.05046118
Cr       1.53861000       2.51058000      25.35099000      -1.63830826      -0.17153862      -0.92191208
Cr       2.94663000       0.03874000      25.36790000      -1.44728569      -2.75591580      -2.39821399
Cr       1.43949000       4.22779000       6.25926000      -1.22900364       0.47123013      -1.56492392
Cr      -1.65355000       4.09270000       6.33384000       2.72845003       2.59353998       0.81094129
Cr      -0.12188000       1.71445000       6.19452000      -0.50870539      -0.41007798      -1.03555503
Cr       0.05773000       0.16928000      18.21818000      -0.18926825      -2.34489115       2.16534056
Cr       2.87270000       1.70828000      27.59067000       0.60416837       0.12850682       1.39437524
Cr      -0.08375000       3.30106000       8.68192000      -0.20222242       0.47234072       0.19136063
Cr       2.97402000       5.04420000       3.87850000      -2.58239273       0.84169340      -1.60046816
Cr       3.11811000       1.80535000      13.57219000       0.13319761      -0.59707442      -1.88881801
Cr       0.02716000       3.38407000      23.02931000      -1.63212107       0.03810073       0.75576705
Cr       0.23817000       1.77361000      20.63665000      -3.50596555       1.40295938       1.73018875
Cr       1.54095000       4.40152000      20.69007000       1.58030069      -0.43577390       1.55857344
Cr      -1.32003000       4.29923000      20.69469000      -2.02166479      -0.24812407      -0.71272515
Cr       2.96259000       3.27639000       1.42328000       0.15377434       2.70455492      -0.52411995
Cr       1.37379000       0.95745000       1.35099000      -0.59030036      -2.41167143       1.36671214
Cr       4.35114000       0.60340000       1.42876000       0.14277932       2.48107547      -0.34699933
Cr       2.90831000       0.06654000      11.14424000       0.96146286       2.20184221       0.01402375
Cr      -1.37303000       2.68710000      11.17774000      -2.09465807      -0.85026332       0.64129624
Cr       1.52954000       2.60663000      11.27667000      -1.36896614       1.38211799      -1.66019458
O        1.38778000       0.97780000      19.45331000       0.63640016      -1.99919053      -0.60949093
O        4.58739000       0.82076000      19.67367000       0.46349489       2.10514297      -2.84719838
O        3.05054000       3.67841000      19.37525000       0.06244801       0.14546211       1.12383913
O        4.26358000       2.41616000       0.13686000      -0.47453872      -0.51555879       1.37215824
O        1.41542000       2.40058000       0.15489000       1.32561370       1.49016964       0.01165315
O        2.84420000       0.18817000       0.11998000       0.26692332      -1.09684334       1.71976037
O        1.10880000       4.24612000       9.90252000       2.45823937      -0.61502523      -0.10886887
O       -1.31441000       4.30491000      10.04922000      -2.13188077      -0.88657937      -1.52407312
O       -0.00676000       1.91128000      10.08164000       0.64880837      -0.51377772      -0.37968941
O        1.71795000       1.07027000      12.36047000      -0.65751441      -0.68391921       1.38462538
O        4.40703000       0.91593000      12.13489000       0.47868460       0.95877051       1.98168905
O        2.91795000       3.39824000      12.39370000       1.25801707      -0.23270386      -0.13316919
O       -1.34582000       2.61325000      21.86687000       0.16249372       0.32564769      -1.11281451
O        1.31145000       2.80165000      21.88146000       3.46011766      -1.50522152      -1.14910385
O       -0.05462000       5.07303000      21.91821000       1.14873399       0.17146894       0.00712454
O        1.56783000       4.22824000       2.62010000       0.19985576      -0.66681994      -0.06565004
O       -1.60288000       4.47358000       2.61195000       0.30363372      -1.58699169      -0.72499223
O       -0.05424000       1.61740000       2.57988000      -0.62520508      -1.19675481      -0.27674305
O        1.22297000       0.72798000       5.04729000       1.08432424       0.68360574       1.69759074
O        4.34606000       0.72298000       5.01435000       1.14084889      -0.15477032       0.43694914
O        3.07207000       3.52631000       5.13613000      -3.65689303      -1.69452023      -2.22475926
O       -1.32552000       2.52344000      14.99293000       0.21605735      -1.08647196      -2.28531765
O        1.72493000       2.41307000      14.74267000       0.50767221       0.94059360       0.97406329
O        3.14803000       0.28166000      14.79341000      -0.03131671      -1.57707394      -0.22790382
O        1.36492000       4.15855000      24.26359000      -0.10855715      -0.07343403       0.00437013
O       -1.36256000       4.04103000      24.10040000      -1.00238713       0.62825014       2.00864217
O        0.02495000       1.58867000      24.19158000       0.05764577       2.33910971       0.80314269
O        0.13981000       0.09110000      21.54638000       0.16100891      -0.44018827       1.43246145
O        2.87143000       1.70134000       2.40436000       0.63798078      -1.31536955      -0.84656898
O       -0.00470000       3.70225000      12.20462000       0.39171901      -3.66378465       2.30674891
O        5.69991000       0.07492000       7.29638000       1.13665885      -0.65348352       0.92431814
O        2.92111000       1.85821000      17.05369000       1.82407798      -0.42292817      -1.42588171
O       -0.03290000       3.36549000      26.16192000      -0.08099128      -0.43248920       1.83433207
O        2.95072000       4.98107000       0.41640000      -0.70676225       0.38029261       0.14067348
O        2.91535000       1.70772000      10.18149000       0.36090196       1.78510426      -1.79536194
O        0.21553000       3.58470000      19.71227000      -1.73601454      -1.51706403      -1.99024875
O        0.06202000       1.62790000      17.00342000       1.18467603       0.08928014      -0.28274152
O        1.72133000       4.33740000      16.91382000       0.45709177      -0.74129436       0.94940116
O       -1.46977000       4.32522000      17.04324000       1.00221230       1.35176773       0.96090639
O        2.86947000       3.32979000      26.49401000       0.88995785      -1.24249307      -1.10467057
O        1.54124000       0.79826000      26.51079000       1.74523128       1.70963582      -1.88858775
O        4.29009000       0.73073000      26.44444000      -0.65401779       2.21787460       0.35939881
O       -0.09554000       4.73906000       7.38537000      -0.44951320       1.32380556       0.06829649
O        4.38839000       2.49195000       7.36001000       0.14673609      -0.13157837       1.17875207
O        1.21363000       2.66478000       7.29334000       0.84062069      -2.10608947       1.40588748
Zn       0.00570000       0.09974000      27.11689000      -0.86762353      -1.45208636       0.64649822
Zn       2.81376000       1.43280000       8.06134000      -0.03672337       1.02606885       0.46418744
Zn       0.16640000       3.42600000      17.75073000       0.11566068       0.22433806       0.12677394
Zn       2.88673000       4.96334000      23.45360000       0.82685376      -0.22778536       0.12377512
Zn       2.72305000       1.65267000       4.22099000       0.55676816      -0.03294357       2.32283445
Zn       0.14786000       3.47219000      14.31173000       0.64429022       0.37746285      -1.37422452
Zn       2.83408000       5.09372000      13.41408000       0.46563101       0.55921568      -0.45138047
Zn       2.84639000       1.84996000      22.98500000       0.57248879      -0.50426111      -0.77139289
Zn      -0.21863000       3.34973000       3.55079000       0.67173040       0.13238917       0.50867364
Zn       5.77853000       0.02266000       9.56147000      -0.01476362      -0.24924833      -0.59496255
Zn       2.96916000       1.75670000      18.90305000       1.59395480       0.81172175       1.24827391
Zn      -0.12914000       3.43572000      28.20854000       0.18220073       0.14486940      -0.39298925
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.62592962 magmom=71.9972207 free_energy=-551.62592962 stress="-0.034867985042813576 -0.005366096401848083 -0.0012073132355621002 -0.005366096401848083 -0.02903523209368254 -0.0006653152131677892 -0.0012073132355621002 -0.0006653152131677892 -0.03878979543401911" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.68652000       0.85872000      15.91516000      -1.73891639       1.54049296      -0.26168808
Cr       4.54267000       0.78474000      16.00866000      -0.64524413       1.30342801      -2.35192055
Cr       3.26647000       3.45848000      15.90249000      -0.90041314       0.17106508      -1.20446361
Cr       4.47183000       2.44289000      25.30279000      -2.18310069       0.16316811       0.18699064
Cr       1.57708000       2.46236000      25.28620000      -0.32764398       2.60999513      -0.33520305
Cr      -0.04428000       5.04043000      25.36392000       0.77888085       0.76912016      -0.29411142
Cr       1.39906000       4.17636000       6.14004000      -1.26241159      -1.06110961       2.02026049
Cr      -1.61472000       4.18550000       6.39305000      -0.89437698      -0.10516629      -1.35454008
Cr      -0.17279000       1.67531000       6.09590000       0.49691440       0.79271523       2.51106249
Cr       0.04300000       0.12320000      18.11151000       1.00469089      -2.37479608       4.17375358
Cr       2.94044000       1.66263000      27.57841000      -1.98902701       2.53064923       4.62606731
Cr      -0.12990000       3.29441000       8.70139000       0.72296981       0.39089957      -1.49761300
Cr       2.83699000       5.01182000       3.91887000       3.01192664       1.06522400      -3.04176379
Cr       3.11949000       1.81684000      13.57016000      -0.10332318      -0.42472571       0.15385812
Cr       0.01260000       3.36913000      23.00467000       1.07934972       0.79581055      -0.20412710
Cr       0.13473000       1.72728000      20.73526000       0.92872774       0.91881027      -1.95061076
Cr       1.57195000       4.49386000      20.75305000       0.17268455      -2.38184114      -1.39136916
Cr      -1.25096000       4.26167000      20.59270000      -3.19527909       0.81510227      -0.10488654
Cr       3.04006000       3.31059000       1.41585000      -0.48185843       1.12325124       0.55827907
Cr       1.29003000       0.92517000       1.35287000       0.80861501       0.02769911       1.29015917
Cr       4.29241000       0.63697000       1.28798000       0.21649738       0.48764457       3.68982369
Cr       2.95141000       0.14251000      11.16885000      -1.17842014       0.06627811      -0.14144211
Cr      -1.46078000       2.67001000      11.21595000      -0.11263594       1.05996520      -0.71172467
Cr       1.39910000       2.74678000      11.27409000       2.13782766      -1.75466336      -0.40098344
O        1.38679000       0.70361000      19.44019000       0.67567488       1.34770052       0.21064839
O        4.64592000       0.91382000      19.42774000       1.70386303      -1.08889911       1.14335167
O        2.85583000       3.63338000      19.44358000       1.33592990       0.26478766       0.41922166
O        4.33154000       2.24431000       0.26095000      -0.24324142       1.48989687      -1.25586154
O        1.61819000       2.59328000       0.23526000      -0.81984797      -0.73204290      -0.79384328
O        2.75013000       0.03793000       0.23768000       0.08599014       1.43326769      -0.99745641
O        1.26923000       4.17990000       9.92502000      -1.76397575      -0.11860781       0.89618755
O       -1.38307000       4.34628000       9.94379000       0.29745092      -0.36830863       0.86005450
O       -0.03405000       1.93402000      10.06395000       0.21596139      -0.40477300       0.80542725
O        1.69860000       1.18224000      12.49901000      -1.06745689      -1.52283850      -1.78979399
O        4.30736000       1.02303000      12.28866000       1.36243682      -0.66843494      -0.21769135
O        3.01175000       3.39749000      12.34939000      -0.44456927       0.57366689       0.20704164
O       -1.31968000       2.65435000      21.71520000       0.35591063      -0.25530131       1.15003815
O        1.49945000       2.73876000      21.82072000      -0.37224195       0.05952198       0.66909819
O        2.98439000       0.10750000      21.88492000       0.40792412      -1.77343775      -0.17294839
O        1.63901000       4.33771000       2.69166000      -1.46469507      -2.03713252      -1.58509884
O       -1.51428000       4.39363000       2.41378000      -0.64653256      -0.88113059       1.77281252
O       -0.17392000       1.58661000       2.59857000       0.47644020      -0.72802358      -0.05139021
O        1.22235000       0.74623000       5.16831000       1.07106675      -0.76199975      -0.63633087
O        4.51293000       0.64901000       5.02734000      -2.61373927       1.03728226       0.08957852
O        2.80940000       3.40780000       5.08390000       1.13084384       0.40571184       0.22075289
O       -1.35864000       2.45763000      14.84014000      -0.66317893      -0.62529118       0.12810978
O        1.77930000       2.42129000      14.71794000      -0.39721112       1.55116334       1.60284921
O        3.13412000       0.16295000      14.91087000      -0.27031939      -0.42184909      -1.44911341
O        1.35803000       4.14466000      24.29712000       0.35943608       0.55219361      -1.08109052
O       -1.28826000       4.10271000      24.25070000      -1.43032375       0.21738337      -1.00067184
O        0.09678000       1.73917000      24.32344000      -0.79295996      -0.59205086      -2.02798449
O        0.18164000       0.10215000      21.68254000       0.02535012      -0.96577662      -0.76813939
O        2.89000000       1.61514000       2.29380000      -0.19416565      -0.15123202       1.17371554
O        0.03878000       3.50987000      12.41154000      -0.74954049       0.77431339      -2.63454240
O        5.69816000       0.03037000       7.29328000       0.48973363      -0.60612883       0.21832200
O        2.96489000       1.92327000      16.94347000       1.10795396      -2.25449779       1.01768255
O       -0.08543000       3.32936000      26.22817000       1.54720463      -0.03920567       1.38796879
O        2.86507000       5.01192000       0.45810000       0.55916426      -0.02166407      -2.05504756
O        3.02039000       1.89551000      10.07179000      -0.89872005      -0.90450211       0.92547844
O        0.19090000       3.36716000      19.68017000       0.00294958       1.16754627      -0.47204997
O       -0.06125000       1.67038000      17.00479000       2.12399149      -0.55401002      -0.29080584
O        1.82178000       4.17741000      16.88931000      -1.16063877       1.58355763       0.95033844
O       -1.36874000       4.46432000      17.09610000      -0.30880580      -0.84399935      -0.16884987
O        2.91321000       3.35394000      26.39486000       1.22256218      -0.97228274      -0.11624795
O        1.58639000       1.01405000      26.41969000      -0.65900068      -2.47815077       0.11602226
O        4.20390000       0.88715000      26.55702000       1.82346193      -1.03222001      -2.86518473
O       -0.06034000       4.76232000       7.36962000      -0.24936261       0.58984088       0.35617921
O        4.39132000       2.48258000       7.42077000       0.29832725       0.56493699       0.10594154
O        1.22910000       2.48446000       7.31935000      -0.37157934       0.42886043       0.58778597
Zn      -0.03103000       0.16625000      27.15460000       0.34989979      -1.17075915       0.00632011
Zn       2.76325000       1.39705000       8.17944000       0.07517803       1.37767327      -0.65379879
Zn       0.25544000       3.35313000      17.72459000      -0.19501020       1.03801754       0.41214321
Zn       2.97032000       5.02310000      23.47462000      -0.13368413      -0.24026145       2.25436407
Zn       2.70988000       1.70399000       4.19717000       0.27041420      -0.93719848       0.72387877
Zn       0.12494000       3.42705000      14.27316000       1.07423820       0.12569709       0.44515572
Zn       5.74766000       0.06870000      13.34309000       1.10808487       0.03777643       0.28686943
Zn       2.99448000       1.78987000      23.03826000      -0.15583886      -0.14360189      -1.03715601
Zn      -0.06480000       3.35024000       3.65353000      -0.15780665       0.20818154      -0.53431071
Zn       5.67388000       0.07527000       9.56227000       1.95581394       0.40438705      -1.45804548
Zn       3.08598000       1.64268000      18.96183000      -2.40411629       1.91470966      -0.47117474
Zn      -0.18799000       3.45021000      28.11574000       0.76887215      -1.38147835       1.47748340
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.07386904 magmom=72.0017694 free_energy=-551.07386904 stress="-0.04698272397859222 0.0045318971614842826 0.010855106050240527 0.0045318971614842826 -0.03329505399558506 -0.011719612479817806 0.010855106050240527 -0.011719612479817806 -0.05053151102003648" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50385000       0.91715000      15.87934000       3.34814076      -1.05295579      -1.45766704
Cr       4.47857000       0.83687000      16.06982000       1.61802067      -1.29282873      -4.46544533
Cr       3.17026000       3.51818000      15.91713000       1.37910551      -1.21827894      -0.46811330
Cr       4.43444000       2.52226000      25.31722000       2.28897323      -0.83156263      -2.59881712
Cr       1.61399000       2.52790000      25.24500000      -0.79903490      -0.13095414      -0.61422430
Cr      -0.04097000       4.98880000      25.36703000       1.23454375       1.15716076      -0.70494955
Cr       1.28099000       4.07749000       6.14123000       0.48409204       0.81714212       1.39001954
Cr      -1.59695000       4.27024000       6.39351000      -0.64087644      -1.81839462      -1.56909491
Cr      -0.19145000       1.66690000       6.14511000       0.39488875      -1.06001084       1.30964075
Cr      -2.87400000       5.05666000      18.12344000       3.18685238       0.85090976       3.37610231
Cr       2.92893000       1.72884000      27.72201000      -0.86437026      -0.53898814      -3.60142978
Cr      -0.12924000       3.31341000       8.66680000       0.65429808       0.55756973       2.00269986
Cr       2.81017000       5.03615000       3.77464000       0.57239219      -1.62396349       1.73661866
Cr       3.07108000       1.79336000      13.55281000      -2.52684175      -0.72332179       0.46297417
Cr       0.04829000       3.40776000      22.96611000       1.16102965       1.16228616      -0.39561007
Cr       0.08551000       1.73975000      20.72437000       3.34219508      -0.34068333      -1.30377236
Cr       1.63422000       4.42763000      20.74500000      -0.75707503      -2.56150003      -1.33836512
Cr      -1.36913000       4.25419000      20.49915000       0.93542524      -0.39612642       2.31974756
Cr       3.07043000       3.40169000       1.39988000      -2.33134449      -1.79996863      -0.03474989
Cr       1.26520000       0.86641000       1.41861000       1.76332484       0.25522868      -0.34982108
Cr       4.25122000       0.70390000       1.31931000       1.06433275      -1.16969156       1.75134245
Cr       2.92905000       0.23113000      11.19217000      -1.04582459      -2.49786233      -0.38390025
Cr      -1.55455000       2.70327000      11.21020000       1.94635328       0.67477490      -0.95100174
Cr       1.39610000       2.76416000      11.25547000       1.58819802      -2.68312764      -0.06217007
O        1.48135000       0.66106000      19.42810000       0.06820468       1.99051565      -0.57571570
O        4.92038000       0.87852000      19.35938000      -3.44567767       0.24510845       1.16444513
O        2.95465000       3.65588000      19.58586000       0.62978369      -1.90554248      -2.25301182
O        4.31966000       2.34636000       0.24782000       0.21966551       0.46819623       0.53666197
O        1.68642000       2.66315000       0.20963000      -1.70008916      -1.00785914       0.36592785
O        2.69238000       0.15986000       0.24419000       0.49484717      -0.89564927      -0.57307199
O        1.15747000       4.16280000      10.03943000       0.77957878       2.30243429      -1.54555997
O       -1.41778000       4.27294000       9.95839000      -0.04290455       0.75887288      -0.01344733
O       -0.03481000       1.94016000      10.14201000      -0.46083671      -0.48785461      -1.24940487
O        1.58164000       1.05772000      12.33678000       0.23168607       0.41547959       0.47643195
O        4.37969000       1.07031000      12.36805000      -0.90187068      -0.64018389      -1.39626282
O        3.00659000       3.41637000      12.34683000      -1.38294391       0.43243874       0.85372839
O       -1.18357000       2.69249000      21.74026000      -2.03079154      -0.95202321       0.40393440
O        1.61227000       2.67822000      21.81728000      -1.17606615       0.02612447       0.34154622
O        0.18641000       4.98667000      21.80383000      -1.31234519       1.37899265       0.45715215
O        1.56121000       4.14476000       2.50950000      -0.31486831       0.41652561       0.20221481
O       -1.59421000       4.20431000       2.54365000       0.47899857       1.40637012       1.15751062
O       -0.19107000       1.34737000       2.57139000      -0.06260869       2.19443573      -0.33282135
O        1.34843000       0.66893000       5.22556000      -1.45673307       0.67037281      -1.75232394
O        4.36707000       0.68634000       5.04602000       0.07221705      -0.13760807      -0.54640852
O        2.67205000       3.42813000       5.03787000       1.61711319       0.57794366      -0.16353722
O        4.40228000       2.28122000      14.72670000       1.89262521       2.43861951       1.43912371
O        1.81231000       2.66233000      14.95170000      -1.18407985      -1.12417993      -2.00450741
O        3.05423000       0.09098000      14.79348000      -0.28455646       1.29206072       0.06736569
O        1.35766000       4.19412000      24.17904000       0.59937827       0.24022893       0.75530199
O       -1.39976000       4.17407000      24.28917000       1.17905013      -0.61463661      -0.81278198
O        0.04198000       1.92074000      24.16059000       0.22426698      -1.76821101       0.19246191
O       -2.74552000       5.07770000      21.64789000       0.03689492       1.24436127       0.98772239
O        2.86120000       1.52586000       2.33484000      -0.29111773       1.40998778       0.80917304
O       -0.05728000       3.41264000      12.19784000      -0.34891920       2.19881299       1.77538967
O        2.83016000       4.98246000       7.26936000      -1.61407653       0.92952129       0.67643098
O        3.17656000       1.66758000      16.90795000      -2.93199786       2.16870054       2.50600744
O        0.11762000       3.27139000      26.34629000      -0.23786591       0.39266079      -1.30477753
O        2.85045000       5.06539000       0.32596000       0.15059560      -0.10631619       1.77811326
O        2.95877000       1.91983000      10.12781000      -0.97131672      -0.98020930      -0.29138731
O        0.09834000       3.34612000      19.59749000       0.76175701       0.82297192       0.29692892
O        0.17824000       1.61772000      16.90844000      -1.85532562      -0.21529452       1.57860203
O        1.73848000       4.26192000      17.00223000       0.52723813       0.55335750      -0.34023243
O       -1.31420000       4.45248000      17.06103000      -1.04870167      -1.06781282      -0.84743898
O        3.11636000       3.18303000      26.30430000      -2.69130060       1.73143344       3.04288885
O        1.55844000       0.87320000      26.30701000       0.41228288       0.52239641       1.41373816
O        4.30860000       0.92096000      26.27016000      -0.30219270      -1.34508256       2.16288996
O       -0.09044000       4.85245000       7.37548000       0.53227898       0.09655004       0.51653911
O       -1.40695000       2.60670000       7.44461000      -1.39157530      -0.99955894      -0.70261239
O        1.13845000       2.38420000       7.42786000       0.53691668       1.06845332      -0.44198168
Zn      -0.05297000       0.16803000      27.17024000       0.29928533      -0.52108217      -2.85172765
Zn       2.71829000       1.43799000       8.27453000       0.26634433       1.20191156      -0.58978788
Zn       0.32457000       3.33658000      17.72317000      -1.69318554      -0.02576882       0.34843634
Zn      -2.85636000       5.07041000      23.59173000      -1.12676636       0.97792720      -0.24355470
Zn       2.71518000       1.70402000       4.22864000       0.60368057      -0.81224898       0.95285132
Zn       0.15235000       3.38480000      14.23405000      -0.63438844      -0.31173094      -0.55013562
Zn       5.77484000       0.15557000      13.29806000       1.56852797      -0.53920793       0.67752475
Zn       3.13325000       1.72073000      23.04205000      -0.49586158      -0.12143796      -1.43731323
Zn       0.07861000       3.36154000       3.73867000      -0.70514399      -0.06651914      -0.47449254
Zn       5.66057000       0.13308000       9.49672000       0.86465261      -0.83480548      -0.41349367
Zn       3.11435000       1.61717000      19.00992000      -0.17062634       0.65948991      -0.24417614
Zn      -0.20462000       3.40574000      28.12004000       1.22206493       0.51271492       1.96491027
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.41989665 magmom=71.9974507 free_energy=-552.41989665 stress="-0.03231481477625616 0.0026723116193407884 0.00803695554087566 0.0026723116193407884 -0.0364093080392551 0.004681393301229727 0.00803695554087566 0.004681393301229727 -0.03262649752927914" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47373000       0.90636000      15.80351000       1.22417684      -0.02807267       1.57755710
Cr       4.50819000       0.84610000      15.96766000      -1.14634497       1.61107460      -0.67288540
Cr       3.12153000       3.54196000      15.96911000      -1.21718365      -3.26226838      -2.03484165
Cr      -1.44902000       2.54772000      25.25489000       0.64048115      -1.11738333       0.34283945
Cr       1.63907000       2.59015000      25.19554000       0.30836868      -1.82668597      -0.00418213
Cr       0.03554000       5.03473000      25.35687000      -0.18983786       0.31308021      -1.37580709
Cr       1.19619000       4.03117000       6.21987000       2.21659023       2.42942317      -0.98309822
Cr      -1.62444000       4.26590000       6.30823000      -0.77464504      -0.84221342      -0.74862590
Cr      -0.19250000       1.60617000       6.28461000      -1.02243462      -1.11493244      -1.39558638
Cr      -2.68993000       4.92811000      18.20648000      -1.09351520       3.49360186       1.21873212
Cr       2.86380000       1.77222000      27.75443000       0.08910931      -1.68335681      -2.25846251
Cr      -0.10304000       3.36859000       8.72253000      -0.87126656       1.44601947       0.22349570
Cr       2.82179000       4.99656000       3.71267000      -1.96751338       0.89286712       2.29320518
Cr       2.90399000       1.74816000      13.56887000       1.56261731       1.95772387      -1.25498554
Cr       0.13903000       3.49271000      22.90747000      -1.53895902      -1.54607540       0.55135062
Cr       0.20141000       1.74444000      20.63290000      -1.38126404      -0.59905756       0.63860753
Cr       1.66480000       4.21035000      20.65922000      -0.37882077       1.44245654      -0.17457912
Cr      -1.44430000       4.24926000      20.52313000       2.68239178       0.05289373       2.72484453
Cr       2.96572000       3.37947000       1.37354000      -1.26516562       0.09591339       1.66833987
Cr       1.35637000       0.82936000       1.46463000      -0.47230983      -0.06784096      -0.38107722
Cr       4.24365000       0.72600000       1.43911000       0.69346790       0.10422349      -0.64979137
Cr       2.84284000       0.16719000      11.18305000       0.56984972      -1.42983441      -0.83045138
Cr      -1.55416000       2.77886000      11.15269000      -0.87924943      -1.52907892       1.17855973
Cr       1.45222000       2.65067000      11.23121000      -3.03263472       2.43707109      -0.33245995
O        1.48169000       0.89266000      19.40056000      -0.87376828      -1.98248966       0.56815517
O        4.76628000       0.78769000      19.53070000       0.70715874      -1.28553496      -0.52418994
O        3.15684000       3.41074000      19.38021000      -0.78502653       2.22902484       0.98161543
O        4.26673000       2.54226000       0.29688000      -0.37047638      -2.01251738       0.04342919
O        1.45635000       2.50192000       0.22606000       0.92563623      -0.59691772       0.63395463
O        2.72880000       0.13253000       0.15717000       0.90268266       0.05752311       1.33183690
O        1.13320000       4.45215000       9.94025000       0.60211700      -1.98577416      -0.04731596
O       -1.42189000       4.30006000       9.99945000      -0.84469482       0.62990068      -1.08255604
O       -0.09986000       1.95170000      10.04620000       0.34444391       0.21241893       0.21776640
O        1.51048000       1.01979000      12.24469000      -0.68914581       0.53790441       1.92491248
O        4.25422000       1.03375000      12.20873000       0.24835793       0.68556000       1.24346380
O        2.77242000       3.42175000      12.44933000       0.98236566      -0.10979895      -0.72669294
O       -1.26760000       2.58650000      21.81700000       0.05125210       0.55323918      -1.12326081
O        1.45956000       2.66722000      21.84126000       1.54058821      -0.77760028      -0.68595957
O        0.15449000       4.92659000      21.73139000      -0.28451708       2.10080624      -0.61030552
O        1.44765000       4.05680000       2.35007000      -0.50070128       1.43472114       1.89276218
O       -1.68441000       4.25494000       2.79817000       1.53075799      -0.53426085      -2.59438200
O       -0.17975000       1.40344000       2.49855000       0.14300811       1.17817118       1.12811321
O        1.17015000       0.64823000       5.01638000      -0.12155456       1.16665436       0.82241307
O        4.25959000       0.66771000       5.01732000       1.02425861      -0.43406299       0.63141296
O        2.80796000       3.59726000       5.03984000      -0.35572749      -2.03494166       0.88179870
O        4.43805000       2.48569000      14.84827000      -0.93172745       0.05254626      -0.59852551
O        1.72107000       2.67543000      14.88425000      -0.07326911      -0.99240651      -0.03000664
O        2.93812000       0.28409000      14.70087000       0.82302298      -2.12302668       0.83831892
O        1.42559000       4.24824000      24.17337000       0.58545251      -0.16429286       0.04081192
O       -1.26904000       4.11468000      24.16681000      -0.56939403       1.04584820       0.22681815
O        0.01529000       1.85854000      23.99644000       0.54924343       1.02939648       1.95467656
O        0.18317000       0.01833000      21.63316000      -0.25957990      -0.26454982       0.32227096
O        2.79517000       1.68406000       2.42676000       0.72938157      -0.20521956      -0.36313090
O       -0.16388000       3.65964000      12.16785000       1.06905839      -1.82091792       1.32850595
O        2.70586000       4.95790000       7.29632000       0.31124445       0.67286403       0.30977746
O        3.05209000       1.65124000      17.11913000      -0.18977025       0.59090286      -2.88176625
O        0.23211000       3.29827000      26.16400000      -2.22265369       0.16584205       2.35228931
O        2.88074000       5.09271000       0.46030000      -0.48852915      -0.01168373      -1.35814420
O        2.76355000       1.78744000      10.20008000       1.36035857       1.38518538      -1.45534205
O        0.12403000       3.48572000      19.63522000       0.30528436      -0.66963668      -0.80964909
O        0.10409000       1.48257000      17.06165000       0.10026661       0.24391569      -0.21406923
O        1.70634000       4.42364000      17.05160000       0.61466975      -1.45039860       0.02973014
O       -1.38836000       4.26933000      16.86988000       1.29910501       1.36808398       1.32989436
O        2.99896000       3.24602000      26.57377000       0.30862089       0.49630011      -2.05559027
O        1.63403000       0.78130000      26.42006000       0.24573396       1.76204095      -0.30375795
O        4.37487000       0.79993000      26.23745000      -0.78959705       2.21462095       1.25223533
O       -0.08835000       4.88299000       7.43577000      -0.89325845       0.37488415      -0.08489280
O       -1.47029000       2.60889000       7.36906000      -0.61420390      -0.40293127       1.08855706
O        1.09858000       2.51523000       7.44775000       1.25482200      -0.81891156       0.13306650
Zn      -0.05536000       0.12679000      27.07548000       1.07392425      -1.11816028       0.86236045
Zn       2.68848000       1.54561000       8.32928000       0.56770022       0.36908188      -1.59840542
Zn       0.31101000       3.33407000      17.73854000      -0.94626085      -0.40002324      -0.23681080
Zn       0.11818000       0.04734000      23.71648000       0.27910865      -0.86244902      -1.26742136
Zn       2.74892000       1.66337000       4.31838000       0.14404957       0.31852360       1.09988132
Zn       0.14751000       3.33596000      14.17041000      -1.28921644       1.37865880      -0.77850478
Zn      -0.02154000       0.21844000      13.29042000      -0.45083025      -0.55391599       0.11150430
Zn       3.24851000       1.64641000      22.98309000      -0.45145231       0.08176178      -1.05629220
Zn       0.18520000       3.36802000       3.80732000      -1.12179703      -0.22283266      -0.78658375
Zn       5.70070000       0.14953000       9.39355000       0.73725215      -0.67217631      -0.55396049
Zn       3.13442000       1.63348000      19.04059000       0.93038902      -1.53540872      -0.34196306
Zn      -0.14095000       3.38943000      28.23225000       1.06992843       0.47691055      -0.73355124
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.70701145 magmom=72.0027674 free_energy=-552.70701145 stress="-0.02450301735797242 -0.004587611143851239 -0.009337550277403225 -0.004587611143851239 -0.041852992272798 0.009890780862903476 -0.009337550277403225 0.009890780862903476 -0.039546209217784636" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53946000       0.84883000      15.82324000      -1.29397301      -0.36129438       1.22639070
Cr       4.50749000       0.91588000      15.83925000      -0.33431696      -0.38145163       1.09192060
Cr       3.03542000       3.45421000      16.01861000      -0.08884433       0.07207125      -1.98251104
Cr      -1.39223000       2.51074000      25.21433000      -0.93679368       1.73380159       1.38755434
Cr       1.66481000       2.55529000      25.19674000      -0.97508448       0.35120817       1.34061779
Cr       3.06113000       0.00760000      25.29954000      -0.16800641      -0.28085380       0.31355264
Cr       1.23007000       4.12114000       6.25542000       0.11282009      -0.03477343       0.15774359
Cr      -1.67890000       4.20037000       6.20332000       1.14123491       0.09172130       1.54685429
Cr      -0.25214000       1.51514000       6.35830000      -0.30164145       2.93920769      -1.03733377
Cr      -2.55860000       4.95631000      18.29897000      -4.08730935       1.86782726      -3.35054719
Cr       2.81299000       1.74546000      27.71806000       2.32770757      -0.41543425       0.44167400
Cr      -0.12028000       3.49823000       8.77676000      -1.08865079      -0.65882647      -2.94461116
Cr       2.75840000       4.97564000       3.78170000       0.40394346       1.05067374      -0.69079709
Cr       2.83331000       1.79184000      13.52756000       2.23851096       0.51226360       0.33721226
Cr       0.16104000       3.50528000      22.85691000      -0.39620184      -0.58671714      -0.06080395
Cr       0.23029000       1.71321000      20.58652000      -3.62819278      -0.67405866       1.27431367
Cr       1.68128000       4.08776000      20.55931000       0.51678809       1.82435621       1.82983540
Cr      -1.38139000       4.27439000      20.64153000       0.73823334      -0.26567593       0.37190443
Cr       2.77987000       3.33510000       1.38402000       0.92926654       1.66468205       1.14035613
Cr       1.42273000       0.79216000       1.47853000      -2.01512657      -1.52318204       1.38774798
Cr       4.28022000       0.77683000       1.50035000       1.28899011       1.59494287      -0.48304613
Cr       2.79645000       0.04221000      11.13051000       0.61935408       3.38619925       0.51030557
Cr      -1.59171000       2.76955000      11.15834000      -1.56318141      -1.24935426       0.63944361
Cr       1.35621000       2.65399000      11.19111000      -0.65850678       1.29329207      -0.09455712
O        1.39984000       0.78926000      19.48863000       3.66061874       0.24966767       0.18306932
O        4.71243000       0.53366000      19.60448000       0.76583917       2.43979955      -2.21893893
O        3.17944000       3.45924000      19.36145000       0.08027349      -1.34336552       1.82005588
O        4.16480000       2.38755000       0.37663000       0.56638481       1.09937303      -1.04151623
O        1.39492000       2.26307000       0.32604000       0.59711159       2.21515352      -1.20214024
O        2.90593000       0.10189000       0.29262000      -0.72318426       0.15702414      -0.55271113
O        1.16999000       4.38664000       9.87947000       0.38679236      -0.58216931       1.25186010
O       -1.51604000       4.38041000       9.91020000       0.55507331      -0.71607732       0.74828191
O       -0.12495000       2.03259000       9.99963000      -0.13797386      -1.03572439       0.64340523
O        1.43541000       1.12837000      12.40482000       0.26279049      -0.92069695      -1.68801657
O        4.08940000       1.12138000      12.21705000       1.43567941      -0.74340911       0.05465986
O        2.71143000       3.37342000      12.38621000       1.23409126       1.21056003      -0.60559105
O       -1.28782000       2.61230000      21.68716000       0.92166321       0.12723458       0.75817837
O        1.47385000       2.58089000      21.75348000       0.85709482      -0.12714343       0.75449766
O        0.07889000       5.10860000      21.61951000       0.95687452      -0.94421450       1.25665470
O        1.35276000       4.26738000       2.52149000       0.87398572      -0.92313178       0.83263897
O       -1.67696000       4.31674000       2.62786000      -0.75318347      -0.57123768       0.11026968
O       -0.13280000       1.59789000       2.58465000       0.26292965      -1.04556463       0.85388945
O        0.96049000       0.80730000       4.98236000       2.36420776      -0.40228559       1.38779356
O        4.36079000       0.57199000       5.11778000      -0.88304625       0.99635466      -0.26489639
O        2.86129000       3.46251000       5.15931000      -1.56968816      -0.58439852      -1.00184789
O        4.30396000       2.66989000      14.86401000       0.56632264      -1.71814162      -1.75284963
O        1.61541000       2.46719000      14.79204000      -0.77212736       1.57103232       0.91505741
O        2.98083000       0.21818000      14.73024000       0.67705138      -0.47575166      -0.61625621
O        1.52052000       4.21096000      24.20311000      -0.31890175       0.40529071      -0.52093565
O       -1.16890000       4.18117000      24.12116000      -0.99114642       0.59233030       0.27224895
O        0.10294000       1.97420000      24.18960000       0.54609705      -1.24372348      -1.23581353
O        0.12687000       0.03474000      21.64217000       0.13804158      -0.63329412       0.91339904
O        2.84469000       1.75886000       2.42826000      -0.29403038      -1.23427921       2.00282530
O       -0.10291000       3.61980000      12.28226000      -0.51919857      -0.97704780      -2.34918833
O        2.63773000       5.05122000       7.32952000       0.97633204      -1.31747016       0.41652791
O        2.86284000       1.77378000      16.87521000       1.37196029      -1.05677634       1.66476528
O        0.00567000       3.37535000      26.28440000       0.76083372       0.22519436       0.31752983
O        2.83901000       5.09026000       0.45757000       0.04901257      -0.34654022      -1.20108355
O        2.77335000       1.86366000      10.14035000       0.52050764      -0.34804696       0.54188719
O        0.17418000       3.47805000      19.60892000      -1.02374748      -1.12473641      -0.31158435
O       -0.08949000       1.45690000      17.22231000       1.65269102       0.66593488      -1.36857665
O        1.78406000       4.38570000      17.04985000      -0.94806603       0.03417719       0.28254995
O       -1.28335000       4.29707000      16.87089000      -1.14108769       0.26420912       1.19197937
O        2.87859000       3.34636000      26.49918000       1.06239231      -1.10022133      -1.02967947
O        1.74212000       0.98214000      26.40309000      -2.25232524      -1.23880676      -1.55486113
O        4.27106000       1.03563000      26.42521000       0.67828243      -0.52854380       0.24622392
O       -0.22253000       4.90270000       7.42593000       0.01615392       0.54800835      -0.66035756
O        4.30868000       2.55303000       7.42665000       0.72973042       0.49935719       0.24806346
O        1.18198000       2.56946000       7.43912000      -1.13500074      -0.41366111       0.30789338
Zn      -0.01024000       0.04356000      27.01184000       0.19738874       0.85437591       1.14648518
Zn       2.69127000       1.66948000       8.29290000       0.59414287      -0.13048584      -1.75967657
Zn       0.24299000       3.31311000      17.73185000       0.12143662       0.13273987      -1.22360110
Zn       0.14737000       0.10134000      23.76712000       0.49206906      -0.40028708      -1.63713232
Zn       2.79136000       1.63335000       4.46302000      -0.10279935      -0.45091325      -0.30743500
Zn       0.08033000       3.35218000      14.08350000      -0.43056112       0.67818175       1.79219999
Zn       0.05577000       0.24217000      13.30707000      -1.69943567      -1.13448024       0.91005651
Zn       3.32969000       1.58075000      22.88331000      -0.76680584       0.34500561      -0.78585557
Zn       0.22549000       3.36096000       3.84618000      -1.77906657      -0.68308522      -0.73206703
Zn       5.77337000       0.13444000       9.26748000      -0.57303971       0.47135176       0.19095233
Zn       3.19693000       1.58174000      19.03839000       0.06564488      -0.68498120      -0.83829002
Zn      -0.02763000       3.40008000      28.31051000      -0.96410488      -0.55228901       0.09178291
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.23583088 magmom=72.0005061 free_energy=-553.23583088 stress="-0.041726136327353905 -0.001554723447878188 -0.00762798271510017 -0.001554723447878188 -0.035046205568748746 0.0022677095226778634 -0.00762798271510017 0.0022677095226778634 -0.03601355120335557" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52428000       0.76916000      15.94309000       0.27322597       1.10084306      -2.52550459
Cr       4.49370000       0.95799000      15.78966000       0.32846315      -1.92311358       0.61675668
Cr       2.94847000       3.39835000      15.99639000       0.42436268       0.59878707      -2.02649393
Cr      -1.37481000       2.55821000      25.26178000       0.13445415       1.65166831      -0.25905484
Cr       1.64212000       2.54500000      25.28027000      -1.85655340       1.66317861      -1.77057376
Cr       3.11389000       0.07927000      25.27321000      -0.64790026      -0.56270013       0.49407174
Cr       1.26491000       4.20288000       6.29753000      -1.18569071      -1.71076377       0.19845744
Cr      -1.68164000       4.12571000       6.18482000      -0.04570581       0.84946139       0.16385010
Cr      -0.31988000       1.58501000       6.37568000       1.95396439       1.13591507      -0.27538818
Cr      -2.63417000       5.06610000      18.25132000      -0.95598651      -0.63882809       1.14032829
Cr       2.85802000       1.70663000      27.71739000       0.29351170      -0.26232793      -0.93310345
Cr      -0.19608000       3.58450000       8.68514000      -0.10968016      -2.18858552       1.18718470
Cr       2.73782000       5.03376000       3.84794000       2.84767260       0.39197809       2.15472666
Cr       2.87711000       1.87804000      13.47913000      -1.53380751      -1.24532533      -0.10972873
Cr       0.16421000       3.46965000      22.83066000       1.76661267      -0.40832871       2.74068643
Cr       0.08739000       1.62961000      20.61532000       2.31929341      -0.28357170       0.37787209
Cr       1.71097000       4.10115000      20.54957000      -1.15990033       0.45778750       1.35385432
Cr      -1.29807000       4.30190000      20.71548000      -0.10138336      -0.64220891      -1.11769983
Cr       2.66243000       3.35035000       1.42804000       2.02118448       0.23998659       1.17924035
Cr       1.38328000       0.70547000       1.52729000       0.17276558       1.41186528      -0.73549011
Cr       4.37899000       0.90895000       1.51981000      -0.56636234      -0.33127238       0.42063736
Cr       2.80076000       0.10932000      11.10645000       0.06720889       0.65537991       0.82693490
Cr       4.20106000       2.67611000      11.19592000       2.02135428       0.50370842      -2.06463386
Cr       1.24215000       2.71827000      11.14615000       3.01412054      -2.36918207      -0.39347608
O        1.73849000       0.70720000      19.55961000      -3.30687691       0.00626190      -0.60873549
O        4.85688000       0.61463000      19.36271000      -0.57552013       0.31637142       1.32562803
O        3.19972000       3.43957000      19.62754000       0.77418890      -0.28532962      -2.08601508
O        4.19639000       2.40703000       0.31329000      -0.24334610       1.38365381       0.56117234
O        1.46683000       2.34069000       0.29619000      -0.14317474      -0.37496304       0.45269792
O        2.95515000       0.14313000       0.39160000      -0.78780969      -0.12463252      -0.43050498
O        1.17936000       4.19330000      10.00937000       0.29912180       2.49441033      -2.01990612
O       -1.48013000       4.32238000       9.94201000      -0.52901110       0.44860548      -0.09168316
O       -0.18245000       1.98630000      10.04151000      -0.26117068      -0.77144564      -1.65123578
O        1.48004000       1.11878000      12.29614000      -0.20336397      -0.79668018       0.22828151
O        4.14607000       1.09688000      12.27081000       0.58037343      -1.26947328       0.28348285
O        2.85370000       3.47118000      12.23633000      -1.39030097       0.52308609       1.64920414
O       -1.10068000       2.67552000      21.69245000      -2.00032928      -1.70802953       1.17144524
O        1.56239000       2.51567000      21.72322000      -0.53479890       0.37231911       0.35486209
O        0.18582000       5.03895000      21.70428000       1.03686876      -0.19169128      -0.20723302
O        1.43407000       4.38769000       2.76216000      -1.40231678      -1.41737586      -2.25077414
O       -1.85087000       4.26489000       2.45420000       0.14099522      -1.28274064       2.30904298
O       -0.03990000       1.52758000       2.79803000      -0.22572613       0.44429150      -1.14474559
O        1.10708000       0.83618000       5.22263000      -0.27180791      -1.55373515      -0.60249036
O        4.37260000       0.63832000       5.19009000      -0.05870927       0.45639573      -0.62019589
O        2.67562000       3.34717000       5.18699000       0.35225229       1.77350361      -0.28071407
O        4.19452000       2.53068000      14.63416000       1.55775031       1.01902095       1.46190602
O        1.50114000       2.46671000      14.87122000       0.55390478       0.42970911      -0.15329815
O        3.10956000       0.11079000      14.72476000      -1.32324516       0.92985852      -0.22716243
O        1.49860000       4.20282000      24.16652000       0.33431654       0.66484044       0.32721733
O       -1.17475000       4.31499000      24.14840000       0.67920588      -1.28640771      -0.33020447
O        0.19610000       1.98087000      24.20205000      -1.35310351      -0.69869592      -0.93807650
O       -2.83866000       5.05119000      21.70802000       0.00240000       0.36344084      -0.20539916
O        2.84446000       1.61854000       2.63142000      -0.31107762       0.41800779      -1.27098124
O       -0.16235000       3.41604000      12.05658000      -1.01036174       2.31834732       2.96764458
O        2.75378000       4.97268000       7.31183000      -0.10178368       0.03732221      -0.31531679
O        2.95487000       1.69907000      16.82574000       0.99257542      -0.32697571       2.09483232
O       -0.11576000       3.50837000      26.42150000       1.61153160       0.11036751      -0.61830482
O        2.79804000       5.02825000       0.31840000       0.09454674       0.27839688       1.12187223
O        2.85041000       1.87878000      10.15551000      -1.55414799      -1.11960141      -1.72576030
O        0.10706000       3.27682000      19.59766000       0.62526949       0.83247611      -0.23959967
O        0.01198000       1.48658000      17.04852000       1.01025833       0.31750893      -0.43145495
O        1.73328000       4.37128000      17.06143000       0.01652284       0.40881498       0.15619371
O       -1.33170000       4.36892000      17.06501000      -0.75784218      -1.76660174      -0.82511320
O        3.00856000       3.27572000      26.25371000       0.63186527       0.74638150       2.28279541
O        1.54399000       0.93443000      26.20236000       1.15053635      -0.74353613       1.94418076
O        4.27419000       1.18948000      26.57336000       1.23814702      -2.75537058      -1.19499514
O       -0.32381000       4.96273000       7.28232000       1.23613695       0.77803423       0.59970489
O        4.36196000       2.61683000       7.48961000      -0.59893611       0.04935110      -0.33297684
O        1.03062000       2.58458000       7.45564000       0.58686592       0.18271925       0.01674360
Zn      -2.89973000       5.10345000      27.00298000      -0.53478779       0.22170934       0.03002162
Zn       2.72190000       1.78228000       8.17316000      -0.35683571      -0.19945285       0.11083993
Zn       0.17933000       3.30031000      17.66982000       0.32650402       0.42296168       0.03291553
Zn       0.19394000       0.12359000      23.73236000      -0.74335964      -0.35961444      -1.00627124
Zn       2.82425000       1.57456000       4.58955000      -0.65206781      -0.54096377      -0.59903460
Zn      -0.01397000       3.40872000      14.06109000      -0.02546592       0.10028408      -0.21199739
Zn       0.04714000       0.20899000      13.36788000      -0.44708158      -0.43879946      -0.26809678
Zn       3.36522000       1.54003000      22.76605000      -0.78604409       1.02066884       0.14719029
Zn       0.17329000       3.32016000       3.86081000      -1.11995809      -0.47734095      -0.02308852
Zn      -0.07779000       0.14134000       9.16609000      -0.45510585       0.29287011       2.18177288
Zn       3.26321000       1.49003000      18.99333000       0.29152410       1.78676857      -1.04858866
Zn       0.02967000       3.38935000      28.37853000      -1.53341901       0.44634694      -0.49514735
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.39610467 magmom=72.0063792 free_energy=-552.39614355 stress="-0.04246459059927384 0.011441930410173167 0.00891349711049285 0.011441930410173167 -0.02439724085505767 -0.006494913066952675 0.00891349711049285 -0.006494913066952675 -0.03201716156261616" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51859000       0.71604000      15.97876000       3.64769018       0.28009479      -3.09015363
Cr       4.50215000       0.88346000      15.79082000       0.38054436      -0.44232901       0.14837333
Cr       2.89931000       3.41160000      15.91023000       1.53320823      -0.69240551       0.55137886
Cr      -1.34336000       2.68617000      25.31823000       0.82815337      -1.57228751      -0.82207001
Cr       1.54904000       2.60744000      25.32876000       0.53210581       0.03323354      -0.40337372
Cr       3.11578000       0.12666000      25.30325000      -0.02036604      -0.34206737      -1.40794371
Cr       1.22468000       4.19610000       6.34375000       0.53454397       1.17704922      -1.22762691
Cr      -1.66275000       4.10030000       6.19459000       0.06731951       0.63829614       0.31456374
Cr      -0.27678000       1.73257000       6.36514000       1.42239052      -2.21809086      -0.80759863
Cr       0.19968000       0.02378000      18.20176000       0.84565393      -1.74783639       1.32409206
Cr       2.93706000       1.66003000      27.67714000       0.37831290       0.39605969       0.33362282
Cr      -0.28323000       3.55194000       8.65259000       1.19709823       0.36692301       2.21481209
Cr       2.84654000       5.09939000       3.99331000      -1.46090203      -1.47663748      -1.75206182
Cr       2.86080000       1.89263000      13.44066000      -0.26184736      -1.38019154       1.23594986
Cr       0.25749000       3.39476000      22.95039000      -0.10817791       0.26907418      -0.38785882
Cr       0.06770000       1.54090000      20.66557000       3.09059792       2.79601585       1.14440856
Cr       1.70886000       4.12395000      20.60767000       0.87861616      -1.52828091      -1.10264395
Cr      -1.23827000       4.27683000      20.69366000       0.21201341      -2.25628973      -0.07530794
Cr       2.67538000       3.36874000       1.51047000       0.31874606      -0.63138107       0.46176516
Cr       1.35301000       0.66675000       1.54640000       0.61814552       0.40755815      -0.17765771
Cr       4.42723000       1.02740000       1.54194000      -1.97627282      -2.06439669       0.08131488
Cr       2.81870000       0.20662000      11.12333000       0.50177117      -3.58841138      -0.81519563
Cr       4.18410000       2.60644000      11.12884000       1.37127510       1.35456355      -0.69391499
Cr       1.25555000       2.68913000      11.07724000      -0.22038819       0.53021179      -0.24102808
O        1.56870000       0.67801000      19.52158000       0.04689530       0.67692403      -0.73247375
O        4.89404000       0.79873000      19.36800000      -0.83740731      -2.09823344       0.93862272
O        3.29166000       3.38219000      19.59285000      -0.98348108       1.14302535      -1.03216234
O        4.16617000       2.63830000       0.34830000       0.19372629      -1.19908172       0.09607904
O        1.52015000       2.38370000       0.30670000      -0.41907505      -0.90699069      -0.35323189
O        2.85786000       0.20028000       0.39614000       0.82896081      -0.54841204      -0.59120894
O        1.18972000       4.33779000       9.88456000      -0.41768999      -0.58037083      -0.07678687
O       -1.46901000       4.29388000       9.99275000      -1.04263328       0.23465641      -0.40240836
O       -0.26446000       1.89755000       9.86989000       0.38483748       1.53969997       0.70828447
O        1.51603000       1.03127000      12.18835000      -1.29308219       1.27104315       1.61247565
O        4.24815000       0.93943000      12.32075000      -0.64193807       1.30165481      -0.48375726
O        2.81371000       3.52782000      12.30511000      -0.53633266      -1.42681800      -0.53254580
O       -1.13978000       2.50210000      21.87854000       0.19889243       1.17212289      -1.30862995
O        1.51549000       2.56598000      21.74910000       0.87664942      -1.22234080       0.08227475
O        0.42280000       4.87192000      21.74810000      -2.15664542       1.85764373      -0.17260672
O        1.42149000       4.31543000       2.66637000      -0.69127284       0.57477661       0.85283052
O       -1.98248000       4.12751000       2.70420000       2.72336108       0.98524467       0.74974631
O        0.00504000       1.46232000       2.78687000      -0.26617544       1.62639977      -0.30788853
O        1.20057000       0.60790000       5.34779000      -0.19487145       2.84870904      -2.07023796
O        4.43946000       0.76964000       5.20159000      -0.32774431      -0.21106542       0.33539606
O        2.57552000       3.54814000       5.16357000       1.38118815      -2.35387956      -0.21671984
O        4.28900000       2.47779000      14.65189000      -0.65592372       0.60465719       0.85542323
O        1.54464000       2.55031000      14.91029000      -0.42813949      -0.66023344      -1.42014728
O        3.00622000       0.23498000      14.69797000      -0.48046721      -0.46498727      -0.06145509
O        1.49315000       4.27924000      24.21097000       1.25447956      -0.28659406       0.33691868
O       -1.05607000       4.22109000      24.13430000      -1.77062167       0.82351138      -0.08910949
O        0.08212000       1.91883000      24.08389000       0.52127851      -0.26402412       2.47395810
O       -2.80690000       5.00225000      21.66790000       0.64281470      -0.03196723       0.51565708
O        2.77569000       1.54032000       2.58217000       0.42911885       0.98924593       0.66666851
O       -0.30288000       3.54815000      12.13782000       1.33943108      -0.45879583      -0.52135126
O        2.83477000       4.90194000       7.23602000      -1.02510197       1.31595852       1.46193313
O        3.21002000       1.55008000      17.05875000      -1.96774973       1.09237077      -2.64253515
O        0.06630000       3.63225000      26.37150000       0.60552025      -1.67011825       0.59866667
O        2.77916000       5.02323000       0.43678000       0.23225252       1.01102670      -0.01643708
O        2.70649000       1.74220000       9.97670000       0.20680447       1.49079049       0.50672666
O        0.15678000       3.22654000      19.61908000       0.31848186       1.11903649      -0.66668709
O        0.19907000       1.55992000      16.82481000      -2.49945609       0.06114081       2.33921697
O        1.68239000       4.44750000      17.04841000       0.15313042      -0.68940019      -0.43509303
O       -1.53125000       4.14114000      17.04546000       0.06852537       0.89435391      -1.12448739
O        3.16828000       3.27319000      26.39172000      -2.26840444      -0.72350388       0.82871609
O        1.58291000       0.81605000      26.24683000       1.04687854       2.06785145       1.06454553
O        4.45318000       0.93602000      26.45286000      -1.07081615       1.52683492       0.22154590
O       -0.21172000       5.06645000       7.26043000      -0.59409966      -0.31309688       1.33927069
O       -1.54399000       2.69988000       7.45294000      -0.78689481      -1.35447926       0.13294568
O        0.96524000       2.65644000       7.46564000       1.83623866      -0.42339486       0.30351490
Zn      -2.87233000       5.06534000      27.01597000      -0.25803124       0.02120882       1.21917015
Zn       2.73542000       1.87823000       8.04522000      -0.74118613      -0.85203589       0.07664327
Zn       0.13271000       3.31087000      17.60461000       0.17697235       0.53130924       1.09134583
Zn       0.21241000       0.11400000      23.64398000       0.16899459      -1.38308804      -0.33632080
Zn       2.81355000       1.49648000       4.67476000      -0.98420307       1.10389353      -1.52461370
Zn      -0.10579000       3.47606000      14.04871000       0.89311932       0.32790074       0.33335761
Zn       0.00501000       0.14865000      13.43077000      -0.15679254      -0.18383569      -0.63364237
Zn       3.35315000       1.55135000      22.66682000      -1.51731796       0.22615775       0.95342000
Zn       0.05684000       3.25596000       3.87747000      -0.22089027       0.31831234      -0.89603835
Zn      -0.05793000       0.15811000       9.16268000      -0.39515958      -1.05657941       0.76426964
Zn       3.31914000       1.48340000      18.90435000      -2.62066988       1.56713455       0.94469274
Zn       0.00717000       3.39985000      28.42196000      -0.58850933       0.73025640      -0.56158612
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.952757 magmom=72.0028846 free_energy=-551.952757 stress="-0.042804599112023195 0.0030020520069743363 0.00508604346375443 0.0030020520069743363 -0.035112119325465076 -0.001953278851639576 0.00508604346375443 -0.001953278851639576 -0.03641513257812232" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.62967000       0.69318000      15.92513000      -2.73880584       2.31820299      -0.10241220
Cr       4.54037000       0.77245000      15.81288000      -0.57392621       2.03242411      -1.61359572
Cr       2.91044000       3.40114000      15.85005000      -0.82197922      -1.66108505      -1.36958632
Cr      -1.29223000       2.73042000      25.36963000      -1.98747255      -1.41743202       1.04116846
Cr       1.52481000       2.65342000      25.39476000       4.17498092      -1.96934518      -0.35003052
Cr       3.10694000       0.17210000      25.30667000       0.20962721      -1.21638108      -2.01631530
Cr       1.20504000       4.24713000       6.32464000       1.67420515       0.95654197      -0.56934576
Cr      -1.63947000       4.14569000       6.23453000      -0.31073468       1.53268086       0.59504965
Cr      -0.13415000       1.77906000       6.32345000       0.07263487      -1.39793505       0.30969635
Cr      -2.80912000       5.10524000      18.15177000      -1.00289680      -0.97731246       1.80351834
Cr       3.04758000       1.62554000      27.64181000       0.46767502       1.04989425       3.98368805
Cr      -0.30623000       3.52793000       8.73990000       0.92567297       1.61674265      -2.86328971
Cr       2.87819000       5.08035000       4.03843000      -2.64665146      -0.33995861      -3.01235521
Cr       2.80969000       1.81670000      13.45971000       1.02103300      -0.00721480      -0.20490544
Cr       0.36014000       3.33419000      23.07210000      -1.90462364       1.50594205      -1.41882050
Cr       0.23141000       1.59068000      20.75043000      -0.56795800      -0.34106341      -1.85402108
Cr       1.75987000       4.07130000      20.61397000       0.21388778       0.93664465       0.35212476
Cr      -1.18380000       4.12726000      20.62502000      -0.72046982       1.18487314      -0.47496594
Cr       2.72656000       3.36524000       1.63000000      -0.33966855       0.41913575      -0.52706565
Cr       1.37850000       0.67025000       1.55763000       1.18868006       1.56268314       0.45245661
Cr       4.34533000       1.02724000       1.56201000      -0.39155978      -2.05840640       0.49796731
Cr       2.83877000       0.12682000      11.10488000      -1.38697189       1.12483279      -0.63949515
Cr       4.25724000       2.62553000      11.01539000      -2.00608957       0.58382148       2.19530218
Cr       1.27758000       2.66634000      10.99603000      -0.57270522       0.98792172       1.59163698
O        1.35503000       0.72506000      19.40017000       3.16799628       0.27475488       0.34012767
O        4.76162000       0.63847000      19.65309000      -0.30743843       0.87261118      -1.68003960
O        3.22317000       3.53841000      19.36896000       0.04587381      -1.47022218       0.24135245
O        4.14912000       2.65188000       0.43590000       0.88001966      -0.66710305      -0.44347951
O        1.54353000       2.24905000       0.29117000      -0.37431994       1.24975562       0.30018020
O        2.87297000       0.18272000       0.29919000       0.69341024      -0.85633368       0.66824429
O        1.07664000       4.41460000       9.73648000       0.86192710      -0.59777546       1.69952739
O       -1.59102000       4.29063000       9.98112000       0.31259268       0.24854820       0.14948028
O       -0.25838000       2.06602000       9.82912000       0.75542639      -2.76943887       1.14724934
O        1.41188000       1.13689000      12.30888000      -0.48620097      -1.32526938      -0.59379636
O        4.16888000       1.03835000      12.24000000       0.55030809      -0.17703824      -0.35110946
O        2.66794000       3.27844000      12.28004000       1.19880796       1.90500731      -1.08049052
O       -1.09544000       2.53897000      21.82827000       0.35961890       0.30073509       0.25401388
O        1.57364000       2.48319000      21.80336000       1.23328727      -0.14367924       0.36769579
O        0.30885000       4.89911000      21.73213000      -0.06935444      -0.71504789       0.46237368
O        1.35117000       4.32083000       2.63559000       0.58324419       0.45276637       1.30729772
O       -1.67764000       4.19963000       3.05515000      -0.18124131       0.14648657      -2.32296888
O       -0.02729000       1.60200000       2.65747000      -0.13193709      -0.60459869       1.32904589
O        1.19347000       0.74687000       5.17818000      -0.54325227      -0.06197081       1.78259893
O        4.49220000       0.82869000       5.26797000      -1.24243963      -0.46717693      -0.93370945
O        2.74047000       3.43427000       5.14461000      -0.25357499       0.35292269       0.92118983
O        4.28838000       2.51515000      14.87203000       0.69851567      -0.42612581      -2.30499441
O        1.58992000       2.51039000      14.73007000      -1.84835919       0.25282688       1.06676815
O        2.85927000       0.30311000      14.66100000       2.42505802      -2.50435367      -0.63039243
O        1.62839000       4.26946000      24.31938000      -0.68174313      -0.01553546      -1.06247254
O       -1.15356000       4.20671000      24.12341000       0.82291170       0.55985044       0.61633064
O        0.07212000       1.88958000      24.37191000       1.02254632      -0.86375586      -1.75751425
O       -2.65324000       4.95620000      21.63097000      -0.29353303       0.04135009       0.50908032
O        2.77966000       1.65436000       2.54064000       0.26890314      -0.05152736       1.51874756
O       -0.21168000       3.64057000      12.11495000       0.16213326      -1.72328303      -0.18928766
O        2.75302000       5.06111000       7.31516000       0.55315452       0.22562422      -0.61795292
O        3.11454000       1.58947000      16.82733000      -0.98779019       0.28861622       1.51305731
O        0.31699000       3.51412000      26.35556000      -3.64892425       1.59060503       2.28548398
O        5.74946000       0.04898000       0.63145000      -0.00667494      -1.26228927      -2.08410645
O        2.58075000       1.81081000       9.93552000       1.94153086      -0.29015486       0.11786752
O        0.27793000       3.38623000      19.57973000      -0.48523328      -1.15647915      -0.61393105
O        0.03981000       1.54711000      16.94141000       0.72151421      -0.94448801       0.00740657
O        1.64732000       4.38108000      16.94552000      -0.45705689      -0.92297162       0.87788029
O       -1.61940000       4.06329000      16.84062000       2.18965403       2.69498348       2.20539153
O        2.96812000       3.18726000      26.62131000       1.52929944       1.88058419      -1.92639240
O        1.80339000       1.03503000      26.44239000      -2.72847602      -2.20149153      -1.15557175
O        4.49122000       0.92460000      26.31329000       0.32267938       1.54008260       1.64440128
O       -0.17037000       5.03376000       7.45375000      -1.13612177      -0.01119325      -1.02139296
O        4.33604000       2.61905000       7.37211000       1.23162794       0.27505376       0.43693444
O        1.14081000       2.71818000       7.47650000      -1.85378288       0.22274392      -0.19572745
Zn      -2.86140000       5.03061000      27.09824000       0.15660438       0.84971737       1.02530952
Zn       2.70866000       1.92653000       7.92072000       0.54979565      -1.91493093       1.28884647
Zn       0.09091000       3.35716000      17.58413000      -0.04074984       0.06320756       0.51557155
Zn       0.23562000       0.03441000      23.52951000      -0.28459928       0.27307799       0.55178569
Zn       2.76042000       1.47457000       4.68485000       1.78611979       1.40296038      -1.87338439
Zn      -0.16158000       3.55875000      14.05339000       0.61305023      -0.95603971       0.05654507
Zn       5.84944000       0.07106000      13.46960000      -0.10121738      -0.01662095      -1.10976070
Zn       3.25663000       1.58171000      22.61986000      -0.35349852       0.12455903       0.89333213
Zn      -0.08952000       3.20597000       3.86661000       0.13523197       0.83555132      -0.73301097
Zn      -0.06583000       0.13459000       9.21300000      -1.20127841       0.29838656       0.43890791
Zn       3.25927000       1.56702000      18.83161000      -0.83198130       0.28294833       0.27129576
Zn      -0.05399000       3.44653000      28.44362000       0.78205255      -0.81562990       0.06376091
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.49146189 magmom=71.9967321 free_energy=-551.49146189 stress="-0.0303369343235894 -0.006345059270009791 -0.011052240433491164 -0.006345059270009791 -0.049756283523969394 0.005411583627821716 -0.011052240433491164 0.005411583627821716 -0.0383759258260174" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57153000       0.77508000      15.86788000      -2.07695465       1.26681019      -2.34201260
Cr       4.56022000       0.74901000      15.78990000      -1.79620872       0.66074012      -0.75597204
Cr       2.91085000       3.34690000      15.76365000       0.19002981       0.64626404      -0.49346087
Cr      -1.33536000       2.68245000      25.48422000       1.36967565       1.21956657      -2.11570380
Cr       1.69027000       2.60654000      25.49086000      -2.79314176      -0.30630855      -0.77825147
Cr       3.12440000       0.18918000      25.26503000       0.24529182      -0.71284080       1.33824853
Cr       1.27130000       4.35894000       6.27697000      -0.01113585      -0.93753250       0.51962685
Cr      -1.63002000       4.26637000       6.32336000      -0.64262114      -0.30642952      -0.92296673
Cr      -0.00815000       1.75501000       6.29731000      -3.76540533       1.87293709       0.26418345
Cr      -2.88237000       5.02166000      18.14644000       0.12889278       0.29963884       1.98754804
Cr       3.17432000       1.63409000      27.75709000      -3.30986809       1.24387956       0.18934960
Cr      -0.26595000       3.56181000       8.71641000       0.28965199      -1.64994885       0.21283439
Cr       2.77479000       5.03892000       3.91018000       1.73101388       1.47358309       2.25604430
Cr       2.79499000       1.73403000      13.45335000       0.18518511       0.65807734      -2.20071041
Cr       0.35539000       3.35998000      23.09685000      -1.60874879      -0.39112374      -0.24353784
Cr       0.40277000       1.62980000      20.73422000      -1.31567494      -1.68217592      -2.50898033
Cr       1.83155000       4.05515000      20.61097000      -1.34516384       1.31839711       0.57870534
Cr      -1.16628000       4.03779000      20.51387000       0.06616233       2.51266155      -0.17149934
Cr       2.75967000       3.38808000       1.71630000       0.61080662       0.79303549      -2.23901272
Cr       1.45455000       0.77094000       1.58626000      -1.11566499       0.53463636       0.18565068
Cr       4.24096000       0.89740000       1.59076000       3.11163480      -0.63936648       1.22586858
Cr       2.78818000       0.08542000      11.06002000      -1.30383682       1.95973841       0.52869833
Cr       4.23883000       2.68204000      11.01720000      -0.20228502      -0.62975375       0.43576462
Cr       1.28755000       2.67897000      10.99927000       0.85469549      -1.20241914       0.61544915
O        1.58799000       0.77286000      19.33405000      -1.52253697      -1.58179488       0.77155518
O        4.63171000       0.58268000      19.64446000       1.42413339       1.37140161      -1.33734283
O        3.15482000       3.47615000      19.25115000       0.93917882      -0.14569630       1.66742200
O        4.24688000       2.50444000       0.48725000      -0.10145617       0.54609852       0.35282790
O        1.56301000       2.30074000       0.36990000       0.50565356       1.21101011       0.48561977
O        2.99065000       0.11912000       0.34415000      -0.69018270       0.58180705       0.89665622
O        1.06007000       4.32959000       9.89682000       1.58691178       0.12740338      -0.78125759
O       -1.60147000       4.29423000       9.97020000       0.61635851       0.46239807      -0.74755911
O       -0.14850000       1.93941000       9.96165000      -0.69000664       0.17395855      -1.46234239
O        1.29082000       1.07815000      12.34757000       0.87532623      -1.05949166      -0.34063631
O        4.07922000       1.13205000      12.07560000       0.68901504      -2.13002206       1.98803465
O        2.73938000       3.25773000      12.10920000       0.30882374       1.80041543       2.40773174
O       -0.89282000       2.64512000      21.76545000      -1.59453670      -2.36051291       0.82440520
O        1.73572000       2.42813000      21.87401000      -1.41005446       1.89939458      -1.04878374
O        0.14426000       4.79817000      21.79531000       1.94971516       0.85587838      -0.40534778
O        1.46077000       4.40998000       2.80001000      -1.23329014      -1.59071784      -1.36067311
O       -1.48311000       4.40937000       2.95422000      -1.84305598      -0.44069097      -1.39470602
O       -0.10925000       1.55197000       2.70208000       0.22900469      -0.34891730       0.14619685
O        1.08314000       0.87138000       5.19850000       2.61438899      -2.26043850      -1.64195051
O        4.39807000       0.78568000       5.19031000       0.87012070       0.27823001      -0.79599090
O        2.89303000       3.41593000       5.29458000      -1.59469701       0.94172730      -0.97681431
O        4.30955000       2.44721000      14.72737000      -0.18139584      -0.20107110      -0.49629532
O        1.41425000       2.46026000      14.68655000       1.00368783       0.02835786       0.97212899
O        3.06711000       0.13049000      14.62671000      -0.45250323       1.97874084       1.11074359
O        1.60144000       4.20866000      24.27670000       0.45322886       0.68676489       0.38202375
O       -1.09146000       4.26416000      24.26322000      -0.20730265      -0.56189734      -0.78900492
O        0.22743000       1.80082000      24.45134000      -0.42828723       0.53811288      -1.53888036
O       -2.54566000       4.93392000      21.58586000      -0.92182792       0.19569300      -0.31667949
O        2.85698000       1.77114000       2.69757000      -0.34099551      -0.92721828      -0.54973138
O       -0.10107000       3.47072000      11.98275000      -1.39780508       1.03392301       2.35970374
O        5.69430000       0.15002000       7.29884000       0.45358966      -1.58321682       0.87763050
O        2.87779000       1.71540000      16.73258000       2.25784460      -0.31044904       2.05424768
O        0.06780000       3.53675000      26.54936000       0.87255596       0.26635719      -1.37999140
O        5.79837000       0.00112000       0.56235000       0.06280321      -0.53222986       0.54092602
O        2.77325000       1.87260000       9.97950000      -0.26889722      -0.87443778      -1.31977384
O        0.33536000       3.36464000      19.51419000       0.08991005      -1.43887592       0.54965107
O       -0.05589000       1.40310000      17.03886000       0.90403585       1.82245677      -0.91781740
O        1.57574000       4.18433000      16.89279000       1.63652530       1.51401983      -0.00867927
O       -1.42780000       4.38651000      16.92553000      -1.64348234      -1.97946944       0.26182610
O        3.01859000       3.31831000      26.54831000       1.69005883      -0.45771430       0.98369620
O        1.63851000       0.96628000      26.51264000       2.00729965      -0.32375729      -0.03749647
O        4.50448000       1.14382000      26.45194000      -0.39240294      -2.82195555       1.17305546
O       -0.30715000       4.97828000       7.44171000       1.41608879       2.43007414      -0.40959151
O       -1.36683000       2.61413000       7.34425000      -2.27888654       0.44786960       0.95957161
O        1.04930000       2.83006000       7.43737000       2.08245412      -0.61028187       0.53855936
Zn      -2.83772000       5.04614000      27.24171000      -0.02725241       1.47852341       0.10885466
Zn       2.70018000       1.88450000       7.85310000       0.82091648      -0.39097674       1.29639356
Zn       0.04209000       3.40530000      17.59738000      -0.21778916      -1.31147551       0.36865100
Zn      -2.70264000       5.06903000      23.44308000      -0.03044845       0.50736068       1.75240735
Zn       2.77493000       1.52112000       4.60065000      -0.21347901       0.78576726       0.05130249
Zn      -0.18375000       3.57925000      14.05615000       0.31416326      -2.66858626      -1.68798360
Zn       2.83201000       5.09827000      13.46192000       0.31054597       0.24278750      -1.55271807
Zn       3.13595000       1.60358000      22.63556000       2.30641401      -1.31753428       1.46484734
Zn      -0.23201000       3.19326000       3.83760000       0.53474194       0.52888714       0.44530859
Zn       5.76302000       0.11859000       9.28672000      -1.02289875       0.26859548       0.17256962
Zn       3.13674000       1.67498000      18.77624000       0.60381499      -1.20194159      -0.32527527
Zn      -0.08312000       3.44676000      28.46470000       0.77983073      -1.57470959       0.09291099
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.37933394 magmom=71.9956844 free_energy=-552.37933394 stress="-0.030025548223253665 -0.0036969572474740233 -0.002385364534961014 -0.0036969572474740233 -0.04035405652575105 0.00129438908487161 -0.002385364534961014 0.00129438908487161 -0.04366989391285968" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38246000       0.90151000      15.76411000       1.88932362      -1.88586230       1.76529769
Cr       4.51789000       0.77576000      15.76617000      -0.27858471       1.43457403       0.50617574
Cr       2.92652000       3.33640000      15.69422000       1.64940280       0.59909372       0.64791475
Cr      -1.31787000       2.65029000      25.52697000       2.12452025      -1.48591082      -2.50289267
Cr       1.75068000       2.52933000      25.57414000      -2.06676675       1.78932888      -2.26809582
Cr       3.15310000       0.16809000      25.33253000       0.89836860      -1.57695233       0.86375228
Cr       1.33520000       4.42040000       6.26467000      -0.95546809      -0.69812910       0.86679830
Cr      -1.64928000       4.35815000       6.36233000       0.17458714      -1.38000839      -0.64865103
Cr      -0.06757000       1.81137000       6.27496000      -0.80234281      -0.03210184      -0.58195423
Cr       2.96347000       4.96240000      18.22061000       1.98132165       1.11471929      -1.27964317
Cr       3.13718000       1.70521000      27.88805000      -1.67025031       0.20230486      -0.14202120
Cr      -0.19410000       3.53245000       8.67474000       1.24342855      -0.11927540       0.59333335
Cr       2.76604000       5.06279000       3.87809000       1.97700254      -1.36299015       1.21477358
Cr       2.79912000       1.68951000      13.33638000       0.08721403       0.54878369       1.98202267
Cr       0.25341000       3.37163000      23.08295000       0.66705935      -0.89775210      -1.64504223
Cr       0.47581000       1.56457000      20.58127000      -2.65812680      -0.08002978       1.41910532
Cr       1.82776000       4.13836000      20.60720000      -1.88855507       1.26034566      -0.09328563
Cr      -1.13859000       4.08191000      20.42255000       1.41092443      -1.35633547       3.55412613
Cr       2.81816000       3.44437000       1.67243000       2.74827606      -1.04751013       0.50844246
Cr       1.46190000       0.92051000       1.60626000      -1.62737729      -0.40433562      -0.20241346
Cr       4.30628000       0.74993000       1.64936000       1.24744004       1.03129426       0.25139093
Cr       2.69162000       0.14983000      11.04063000       1.79923199      -1.82824012      -0.27387873
Cr       4.19575000       2.69027000      11.07249000       1.98764409      -0.77586421      -0.48342279
Cr       1.32661000       2.63987000      11.06881000      -0.50703615      -0.22685510       0.43729999
O        1.59469000       0.54120000      19.39555000       0.51983530       1.01671232      -1.48860341
O        4.76585000       0.76611000      19.37588000      -0.56237884      -0.38785879       1.27688243
O        3.25068000       3.42356000      19.46871000      -0.78458733       0.00761594      -1.11331238
O        4.32709000       2.43634000       0.59554000      -0.09012602       0.34868379      -0.07906612
O        1.66104000       2.56101000       0.54349000      -1.57940039      -1.05814507      -2.46456808
O        2.92587000       0.15838000       0.52248000      -0.81171385      -0.34115207      -1.36369688
O        1.22413000       4.23422000       9.99891000      -1.16565860       0.20986285      -0.70802198
O       -1.46652000       4.31342000       9.86430000      -1.43770624      -0.17903994       0.24767197
O       -0.12222000       1.91210000       9.91913000      -0.26327707       1.38198109       0.07794020
O        1.38323000       0.87637000      12.26115000      -0.47901597       1.24861585      -0.31890320
O        4.06571000       0.92997000      12.16930000       0.95476636       0.52570505      -0.37138503
O        2.85409000       3.47586000      12.25349000      -1.21064679      -1.85136054      -0.47865782
O       -0.94186000       2.40242000      21.80544000      -0.84225940       0.50495262      -0.40014305
O        1.65552000       2.66733000      21.77541000       1.01859867      -2.08522333       0.91019984
O        0.30924000       4.78531000      21.75488000      -0.53874105       1.58646007      -0.65902246
O        1.43394000       4.24359000       2.74139000      -0.85082275      -0.30344968       0.52619515
O       -1.66946000       4.49254000       2.64497000       0.49031274      -2.75332683       2.15934021
O       -0.14645000       1.42146000       2.77028000       0.41776366       2.75694753      -0.66462752
O        1.23186000       0.67319000       5.12138000      -0.36911582       1.89887020       0.10293370
O        4.47529000       0.76466000       5.03031000      -0.82616803       1.70624943       1.51031722
O        2.77248000       3.61488000       5.31049000       0.35986965      -1.70642491      -1.22485538
O        4.27154000       2.31767000      14.47065000      -0.04866423       1.17976130       1.37700086
O        1.45044000       2.45910000      14.79320000       0.17142317       1.50516126      -2.32662942
O        3.11134000       0.22712000      14.70418000      -3.00667043      -1.76702675      -1.43961935
O        1.57524000       4.22987000      24.30122000       0.87160313       0.06695566       0.42437575
O       -1.00060000       4.19407000      24.28541000      -2.20478225       0.37206098      -0.63455403
O        0.32832000       1.84032000      24.25255000      -0.31205839      -0.75044536       1.44680007
O       -2.58935000       4.95815000      21.46564000       0.62384907      -0.02784044       1.98206862
O        2.89285000       1.73132000       2.65603000       0.06876352      -0.08872651      -0.03642117
O       -0.19703000       3.43076000      12.12770000       0.39277404       0.61077634      -1.34269082
O        5.76519000       0.11831000       7.34753000      -0.39480934       0.38435815       0.26921719
O        2.97621000       1.78118000      16.86159000       0.04446007      -0.85646120      -1.88735187
O       -0.05580000       3.61015000      26.50054000       2.74046662      -0.62560610       0.83642334
O        2.90993000       4.98105000       0.62526000      -0.21858896       2.26642760      -0.52456831
O        2.93668000       1.78198000       9.87549000      -1.62107665       0.25884160       1.04023142
O        0.38728000       3.12733000      19.56321000       0.01284013       2.15361583      -1.67143594
O        0.00227000       1.53848000      16.93692000      -0.25202758      -0.37536352       0.25771061
O        1.73308000       4.25380000      16.84257000      -1.31117044       0.27217217       0.97957948
O       -1.50719000       4.44616000      16.99318000      -0.23525271      -1.44320017      -1.51696292
O        3.28161000       3.38152000      26.56931000      -2.49986305      -0.82730405       1.52036678
O        1.77086000       0.84317000      26.49888000       0.04256961       1.33297158       1.33495116
O        4.47503000       0.96934000      26.73448000      -0.16222960       0.43854032      -1.36717307
O        2.74861000       0.08016000       7.32871000       0.70837740      -2.20531713       0.21848302
O       -1.47197000       2.72396000       7.45209000       0.32672501      -0.19389558      -0.71566279
O        1.17338000       2.84627000       7.42468000      -0.24673983      -0.46227730      -0.33552230
Zn       0.13491000       0.02415000      27.38142000       0.43309508       0.19869322      -1.07951055
Zn       2.73850000       1.82113000       7.85643000       0.35651391       1.28117149       1.39506321
Zn      -0.00876000       3.39274000      17.62807000       0.46995371      -0.05511820      -0.18858254
Zn      -2.69734000       5.02655000      23.44215000      -0.01879367       0.44966120       0.74489164
Zn       2.79664000       1.61212000       4.51721000      -0.06943163       0.75755933       0.81732509
Zn      -0.18150000       3.48685000      13.99878000       0.63755734       0.21798134       0.94438115
Zn       2.77994000       5.03116000      13.39705000       0.15842129       0.91947987      -0.26289853
Zn       3.11491000       1.57431000      22.71803000       0.86058575       0.11999817      -0.34931270
Zn      -0.34267000       3.21234000       3.82990000       0.44899039       0.71140677      -0.52054528
Zn       5.64315000       0.10840000       9.36021000       0.71064608      -0.22387592      -0.25225043
Zn       3.04086000       1.71051000      18.71566000       0.57154322      -1.33045537       1.05465971
Zn      -0.06760000       3.37207000      28.48505000       0.57023483       0.38635230      -0.15758674
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.49785953 magmom=71.9994087 free_energy=-553.49785953 stress="-0.036657334533239 0.00270211362080562 0.0043750512140789816 0.00270211362080562 -0.02120735827678856 -0.007141757676058583 0.0043750512140789816 -0.007141757676058583 -0.037224941061878715" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30697000       0.93338000      15.74078000       2.72526494      -1.17329402      -1.21836137
Cr       4.45195000       0.85343000      15.76801000      -0.19444094      -1.37311727      -1.42929814
Cr       3.00546000       3.37973000      15.69058000      -1.36795228       0.85709009      -0.00227681
Cr      -1.21055000       2.56880000      25.47959000      -0.75994276      -0.53568478       0.35663262
Cr       1.70833000       2.53834000      25.57075000       0.74525235       1.34974315      -1.56994320
Cr       3.21836000       0.07038000      25.46413000      -0.38718464      -0.51730775      -0.76409999
Cr       1.35000000       4.41684000       6.29402000       1.20111851      -0.89379311      -1.74294025
Cr      -1.65474000       4.36418000       6.34546000       0.66290932      -0.11314884      -0.94447752
Cr      -0.18085000       1.88733000       6.23509000       1.36989754      -0.21838071       0.31969009
Cr       3.00600000       4.95443000      18.25588000       1.27040403       0.36473185      -3.21828004
Cr       3.00679000       1.78492000      27.98585000       1.44883122      -1.63888521      -1.08277489
Cr      -0.07658000       3.49831000       8.67005000      -0.98762413       1.00776015      -0.89648278
Cr       2.87525000       5.06343000       3.93382000      -1.42830092       0.60279658      -0.61912455
Cr       2.81194000       1.66872000      13.32583000      -0.28649771      -0.62402670       1.65596705
Cr       0.18663000       3.32986000      22.98702000       1.44067147      -0.09515866       0.04693044
Cr       0.39277000       1.50102000      20.48876000      -0.33208025       2.14415035       2.16296159
Cr       1.75950000       4.28847000      20.56212000       0.83123074      -1.73932396       0.92351866
Cr      -1.05204000       4.06669000      20.51806000      -1.77026634      -0.48921250       1.12855525
Cr       2.97076000       3.41481000       1.60277000      -1.74904860      -0.74482335       0.15754536
Cr       1.38667000       1.02093000       1.60156000       0.30521121      -1.19546400       0.62600804
Cr       4.41277000       0.69530000       1.68868000      -3.10986396       1.15985223      -0.10620314
Cr       2.70455000       0.10923000      11.00673000       1.54420854      -1.77052619      -0.15357564
Cr       4.25761000       2.65378000      11.09130000      -0.47203429      -0.44949017      -1.04287470
Cr       1.32494000       2.59818000      11.14616000      -0.88072247       0.89370172      -1.33442669
O        1.61543000       0.46882000      19.28034000       0.40093605       0.87281958       0.31876047
O        4.80939000       0.88086000      19.35540000      -0.70936226      -1.02576868       0.77198053
O        3.23792000       3.43848000      19.51888000      -0.35752739      -0.29783399      -1.05854861
O        4.36500000       2.43008000       0.66472000      -0.00037697       0.05657582      -1.16049007
O        1.57791000       2.63661000       0.38193000       1.35422939      -1.45131120       0.73872383
O        2.72656000       0.14554000       0.48383000       1.16000754       0.00833655      -0.11488074
O        1.16494000       4.16568000       9.97121000       0.50219619       1.18219359      -0.06886907
O       -1.51174000       4.27764000       9.82858000      -0.75141404       0.10477775       0.32834469
O       -0.15668000       2.11299000       9.90825000      -0.22675395      -3.31945593       0.43550533
O        1.44248000       0.94690000      12.13085000      -1.50989100      -0.08152881       1.13644577
O        4.15607000       0.84545000      12.21564000       0.55576338       0.67100398      -0.78376006
O        2.76508000       3.30082000      12.28554000       0.54939076       0.41914621      -0.67722751
O       -1.07630000       2.29873000      21.76861000       1.07111863       1.68852087      -0.47814839
O        1.63779000       2.62836000      21.74928000      -0.04876090      -0.55486370      -0.04916041
O        0.35978000       4.97124000      21.61801000      -1.62468020      -0.52935436       1.03919109
O        1.31827000       4.05630000       2.65940000       1.64580787       1.58857950       0.68174176
O       -1.75322000       4.22476000       2.75376000       1.37331611       1.64640973       0.91883541
O       -0.10262000       1.60514000       2.76141000       0.07703210      -0.93760552       0.53549297
O        1.29032000       0.73595000       5.08901000      -0.85444442       0.90098649       0.64231441
O        4.50106000       0.95937000       5.12746000      -0.89144501      -1.03491794      -0.32388554
O        2.69473000       3.57160000       5.13467000       1.10167779       0.00947968       0.92846062
O        4.18635000       2.36470000      14.51253000       1.17601325       0.54179668       0.39743335
O        1.57973000       2.60621000      14.59426000      -1.22020779      -0.67929865       0.29227191
O        2.71054000       0.13196000      14.60153000       1.01403807       0.10876198       0.30615448
O        1.63788000       4.23345000      24.40369000      -0.50711304      -0.43934671      -0.96905837
O       -1.17872000       4.12040000      24.20444000       1.26837907      -0.15791485       0.80254719
O        0.35246000       1.84606000      24.29328000      -1.00375458      -0.29963940       0.18101164
O       -2.57153000       4.98080000      21.58817000       0.18516955       0.02506405      -0.79256915
O        2.92478000       1.67188000       2.52921000      -0.05776932       0.32545131       1.54903970
O       -0.23575000       3.51764000      12.02962000       0.72770028      -0.23547404       1.13468802
O        5.77031000       0.12123000       7.37933000      -0.30867239       0.52665050      -0.18082943
O        3.07754000       1.69464000      16.67955000      -2.16310309       0.37255431       1.92552037
O        0.26318000       3.50611000      26.47128000      -0.84489139      -0.90878809       0.67396463
O       -0.02139000       0.08182000       0.69682000       0.31865080      -1.01845624      -1.03819894
O        2.79780000       1.74093000       9.98802000      -0.03235413       0.96892051      -0.40852040
O        0.42167000       3.22585000      19.45934000      -0.25148775       0.48712945       0.78476910
O        0.00523000       1.60280000      16.86541000      -1.06670669      -0.21383374       1.17568323
O        1.70549000       4.38015000      16.91888000      -1.05509155      -0.90684830       0.04233542
O       -1.65331000       4.26557000      16.79947000       1.38776392       0.74090285       1.01842113
O        3.19149000       3.25100000      26.73533000       0.41781535       0.96959108      -0.94480903
O        1.91252000       0.95620000      26.63824000      -2.23725106      -0.70246433      -0.19674944
O        4.40147000       0.86479000      26.74805000       1.11487084       1.43656548      -0.36874140
O       -0.00756000       5.05436000       7.30179000      -2.55392680       1.09645792       1.82653247
O       -1.48412000       2.81938000       7.42393000       0.16305956      -1.26900121       0.11506949
O        1.22646000       2.78068000       7.33532000      -0.17361979      -0.51323695       0.36782073
Zn       0.17498000       0.11821000      27.45028000       0.36673312      -0.64293508      -1.71792574
Zn       2.79355000       1.80903000       7.93012000       0.15407767      -0.06756681       0.83688759
Zn      -0.03565000       3.37849000      17.64085000       0.11843141       0.76160700      -1.37965123
Zn      -2.69825000       5.01498000      23.48946000      -0.69071048       0.67586226       0.86210720
Zn       2.81074000       1.73525000       4.48258000       0.09560390       0.10560764      -0.22587507
Zn      -0.14874000       3.40378000      13.97947000       0.33379104       0.14812025       0.03406904
Zn       2.74192000       5.01723000      13.33117000       0.07199079       0.59298076      -0.32074846
Zn       3.14904000       1.54555000      22.79595000       0.18966230       0.58004925      -0.02386698
Zn      -0.41720000       3.26707000       3.81363000       1.31701309       0.46243622       0.10227861
Zn       5.56818000       0.09392000       9.41134000       1.35064071       0.68864018      -0.38254813
Zn       2.99199000       1.67284000      18.69336000       0.95608806       0.07908087      -0.04278876
Zn      -0.03016000       3.32259000      28.49608000      -1.19669314       1.63619535      -0.44922063
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.59608669 magmom=71.9984488 free_energy=-551.59608669 stress="-0.04399933103180631 -0.00048461501679653024 0.008426646778342504 -0.00048461501679653024 -0.03923285939512319 0.0011489933794445243 0.008426646778342504 0.0011489933794445243 -0.043589753640973866" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36518000       0.88504000      15.69918000      -1.71392722       0.57398016       0.90209169
Cr       4.37663000       0.86182000      15.73188000      -0.57352543      -1.30587148       0.70816725
Cr       2.98871000       3.47112000      15.70979000      -2.66360834      -0.53124558      -0.10331556
Cr      -1.15736000       2.46408000      25.45967000      -2.31192915       1.47062935       0.72811802
Cr       1.73456000       2.59650000      25.49342000       1.60448637      -1.88834958      -0.45347311
Cr       0.31410000       5.05303000      25.56387000      -1.91785496       0.49089153      -0.92279493
Cr       1.38446000       4.36581000       6.26462000      -1.12907472       0.38067984       0.46939549
Cr      -1.61298000       4.35682000       6.29027000      -0.13259851       1.06026001       0.60749554
Cr      -0.21153000       1.94380000       6.20943000       1.29759573      -1.95805509      -0.39011051
Cr      -2.80383000       4.97719000      18.19007000      -1.12040334       0.91176519      -1.79554231
Cr       2.95220000       1.78467000      28.03779000       2.50233039      -2.25968815      -5.86897978
Cr      -0.02965000       3.48604000       8.64246000      -2.66753895      -1.60071439       0.44599082
Cr       2.91023000       5.09423000       3.95940000      -2.54545704       1.69301455       0.32863481
Cr       2.81360000       1.61960000      13.40656000       0.27086982       0.45269445      -2.25615840
Cr       0.21711000       3.27375000      22.89831000       1.58449256       1.01570848       2.94133569
Cr       0.28407000       1.53780000      20.49747000       2.21396283       1.96950498       0.55160393
Cr       1.75420000       4.34928000      20.51261000      -0.22786666      -3.09043781       2.05304076
Cr      -1.07535000       4.02752000      20.67041000      -3.55293552       3.34422109      -4.28341770
Cr       3.04929000       3.31466000       1.53344000      -1.50250776       3.70784561       2.88934156
Cr       1.35497000       1.04290000       1.60461000       0.61473960      -2.57551625       1.49415832
Cr       4.34226000       0.72594000       1.68699000       0.44947221       0.10853746      -0.46706489
Cr      -0.15818000       5.10685000      10.96950000      -2.14253138       3.04856292       1.47477158
Cr       4.29760000       2.59418000      11.04904000      -1.63160024       0.01625683      -0.27845495
Cr       1.26195000       2.60413000      11.13923000       0.42368981      -0.76848158      -1.14092645
O        1.63362000       0.54385000      19.22233000      -1.44033930      -0.24838137       1.58970306
O        4.69937000       0.82336000      19.50324000       0.58374395      -0.06895602      -1.55883618
O        3.15332000       3.42698000      19.34449000       0.49774970       0.65250609       0.85954303
O        4.40617000       2.41694000       0.54791000      -0.45504008      -0.33157604       0.19023452
O        1.58129000       2.47394000       0.37996000      -0.69402008       1.73232335       1.77921247
O        2.75836000       0.12331000       0.44728000       0.88255587       0.01052849       0.95454781
O        1.12681000       4.24631000       9.92451000       1.00251946      -0.78677379      -0.25820882
O       -1.62505000       4.22297000       9.90004000       1.23473434      -0.10944358      -0.37523867
O       -0.20995000       1.86849000       9.93018000       0.86625609       1.92498936      -0.56958473
O        1.31608000       1.01477000      12.20072000       0.71218412      -1.48214008       0.63540321
O        4.26504000       0.92950000      12.10588000      -0.83761910      -0.93271506       0.86818001
O        2.79278000       3.11336000      12.16816000       0.47710630       2.47493721       1.45982037
O       -0.98178000       2.53422000      21.66729000      -1.24925780      -2.78993581       1.36566499
O        1.57967000       2.47878000      21.73822000       0.79960163       0.56089742      -0.06365707
O        0.17699000       4.98463000      21.65572000       1.93567651      -0.21523944       1.60404281
O        1.56940000       4.22548000       2.70611000       0.00728773      -0.46491577       0.12483371
O       -1.71577000       4.26335000       2.93221000       0.67381117       0.31456720      -3.07074079
O       -0.05473000       1.57530000       2.79772000      -0.83005037       0.47378758      -0.12226475
O        1.13757000       0.94911000       5.18365000       1.39103055      -0.47875569      -0.40735274
O        4.37116000       0.95174000       5.22650000      -0.21774299      -0.98404891      -1.20760425
O        2.83673000       3.60850000       5.15462000      -0.15920469       0.18693317       0.95244124
O        4.24161000       2.48068000      14.65773000      -0.18596817      -0.80831437      -0.88278170
O        1.55178000       2.60659000      14.47255000       0.21206868      -0.59099808       2.14167320
O        2.51043000       0.06859000      14.52511000       2.68675597      -0.34138228      -0.10111890
O        1.56666000       4.15459000      24.34737000       0.25283299       0.39027341      -0.97054558
O       -1.11495000       4.01326000      24.28539000       0.21056815       1.34519001      -0.38726749
O        0.22260000       1.82772000      24.37894000       1.29314547      -1.17032229      -1.83707051
O       -2.55582000       5.01424000      21.56694000      -1.04052309      -0.16705816       0.80883478
O        2.93140000       1.67697000       2.59889000      -0.40846652       0.27498365      -0.45352431
O       -0.15942000       3.52605000      12.02826000      -0.56722491      -0.54936361       1.16175595
O        5.71882000       0.19605000       7.30457000       0.19666432      -0.62600460       0.25827204
O        2.84094000       1.66450000      16.68747000       0.54713344       0.69336064       0.34210499
O        0.38033000       3.29377000      26.54315000      -2.09501710       1.30324264       0.57249200
O       -0.01263000       0.15410000       0.64460000      -0.50679992      -1.97366585       0.12941665
O        2.66614000       1.82264000      10.07129000       1.35007554      -1.02540095      -1.65562943
O        0.37540000       3.45362000      19.52261000      -0.72911864      -1.72574671      -0.49787515
O       -0.16253000       1.53530000      16.92052000       1.06236623      -0.19061120       0.06470295
O        1.53668000       4.37214000      16.97135000       1.20356369      -0.11131498      -0.91777480
O       -1.55793000       4.26459000      16.76188000      -0.51365866       1.11783879       0.83149998
O        3.15384000       3.25604000      26.71265000       0.44117233       0.69321640      -0.38016765
O        1.72402000       0.97560000      26.70387000       1.86782175       0.06691796      -1.47946549
O        4.45485000       1.01741000      26.61957000       0.23753661      -1.42246910       1.51475792
O       -0.17406000       4.97682000       7.47112000       0.90746567       1.46482879      -0.95735688
O       -1.41770000       2.74635000       7.37309000      -1.60723340       0.32303953       1.07334686
O        1.19035000       2.69195000       7.29853000       1.20889820       0.59439896       0.80937057
Zn       0.23091000       0.17250000      27.41871000      -1.19000928      -1.20529960      -1.42131708
Zn       2.85225000       1.80434000       8.05331000      -0.27717656      -0.10869240       0.37521090
Zn      -0.05006000       3.40188000      17.59261000       0.64769613      -0.19938251       0.07759882
Zn      -2.72643000       5.03606000      23.57948000       0.45176154       0.02903120       0.28966899
Zn       2.82427000       1.85107000       4.44916000      -0.68265169      -0.91750938       1.29400879
Zn      -0.09894000       3.33665000      13.97353000      -0.20470128       0.49887768      -0.42425802
Zn       2.71084000       5.04387000      13.26573000       0.45071314       0.19898480      -0.69734484
Zn       3.19406000       1.54616000      22.87222000      -0.52196873       0.29166681      -0.17745741
Zn      -0.40142000       3.33492000       3.82146000       2.12341750      -0.48228260       0.93829193
Zn       5.57367000       0.11468000       9.43442000       1.61480537      -0.76373583      -1.10738353
Zn       3.00483000       1.64184000      18.67625000       0.98044940       0.28802994      -0.17052439
Zn      -0.03696000       3.35850000      28.48437000       0.27434271       1.10089240      -0.54819028
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.36915948 magmom=71.9972474 free_energy=-552.36915948 stress="-0.02861246045215042 -0.00891319401032668 -0.010621296078769996 -0.00891319401032668 -0.04760503405792801 0.011707350760513607 -0.010621296078769996 0.011707350760513607 -0.04707828349307542" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35123000       0.83220000      15.71554000      -0.58086285       0.49714200      -0.57134950
Cr       4.28492000       0.79181000      15.74190000      -0.66715016       0.87906533      -0.26091367
Cr       2.80457000       3.54363000      15.74565000       2.30239504      -2.67214720      -1.27955620
Cr      -1.22992000       2.42816000      25.46368000       0.06768844       1.20295950      -1.15190247
Cr       1.87087000       2.55707000      25.39263000      -1.82014420      -0.10838888      -1.38894968
Cr       0.26098000       4.94791000      25.61687000       0.14326441       0.85516844      -2.15018608
Cr       1.36346000       4.31749000       6.26314000      -1.22246124       0.52731329       1.47932994
Cr      -1.54973000       4.41971000       6.28799000      -0.24911959       0.95734937       1.33041191
Cr      -0.16759000       1.90766000       6.19410000      -0.90720719      -0.87876634       1.30000797
Cr      -2.79562000       5.06462000      18.06668000      -2.51669114       0.27386540       3.83854637
Cr       3.02280000       1.69312000      27.90544000      -0.13354665       0.54921817      -1.44229578
Cr      -0.14211000       3.40566000       8.62184000      -0.13011614       1.55390766       0.02501901
Cr       5.78151000       0.11191000       3.99072000       1.73200976       0.00819125       0.15375359
Cr       2.82695000       1.60213000      13.37973000       0.46724331       2.05410761       0.71579374
Cr       0.34013000       3.25027000      22.96289000      -1.66389599      -0.24891381       0.08076156
Cr       0.27001000       1.67581000      20.53178000      -1.28086804      -0.94572530       0.98530352
Cr       1.75701000       4.23612000      20.51883000      -1.79851361      -0.86868753       1.68494747
Cr      -1.31392000       4.16091000      20.63481000       1.31281895      -0.43823671       0.57399902
Cr       3.02918000       3.35361000       1.53910000      -0.24188278       1.60974385       1.80636866
Cr       1.37563000       0.91065000       1.65886000      -0.61953377       0.19938838      -0.94572754
Cr       4.26625000       0.78443000       1.63720000       4.20216867      -0.19491457       1.24328287
Cr       2.78322000       0.01894000      11.01756000      -0.88624962      -0.69596661       0.74795788
Cr       4.23531000       2.52897000      10.99041000       0.41188471       1.29146286       1.66006030
Cr       1.23508000       2.56705000      11.06706000       2.32466963       0.07584188       1.36171313
O        1.40778000       0.58574000      19.44953000       2.09722141       1.22335895      -1.75778877
O        4.68797000       0.71367000      19.41741000       0.06862437       0.61729634      -0.76096634
O        3.16662000       3.53492000      19.29336000      -0.01948643      -1.08972028       0.24476951
O        4.38015000       2.35295000       0.43653000      -0.44002850       0.76821699       0.52124735
O        1.52862000       2.55953000       0.67094000       0.12004611      -0.63532278      -2.63713833
O        2.95244000       0.11673000       0.55578000      -2.22364107       0.25046029      -1.74079471
O        1.16860000       4.19385000       9.87305000       0.18917435       0.06112461       0.38899103
O       -1.49010000       4.13992000       9.93325000      -0.86421842       1.01066312      -0.87528431
O       -0.12194000       1.94440000       9.88201000      -0.59362457      -1.46306703      -0.21677364
O        1.36923000       0.86622000      12.35116000       0.22405409       0.68156500      -2.04181102
O        4.15336000       0.90647000      12.09341000       0.32742863      -0.42101674       0.36455724
O        2.89529000       3.30579000      12.24406000      -1.26958276      -0.90880504      -0.56746428
O       -1.00842000       2.49577000      21.74970000      -1.55387564       0.25254686       0.50051317
O        1.60936000       2.45148000      21.71782000       1.31406367       0.57578194      -0.03395452
O        0.26152000       4.82291000      21.92258000      -0.12935599       1.26743384      -1.58269074
O        1.83817000       4.39399000       2.74907000      -3.83434958      -2.50952228      -0.37055584
O       -1.63438000       4.45171000       2.63287000       1.35941869      -2.06609434       2.85987283
O       -0.13627000       1.54997000       2.77376000      -0.03719434       2.04809748      -0.16494628
O        1.18675000       1.05456000       5.21922000       1.04801897      -0.96641022      -0.72826093
O        4.22539000       0.72409000       5.11855000       1.12469974       1.61200347      -0.27048862
O        2.92938000       3.74202000       5.32682000      -1.05904390      -2.03015641      -2.44530061
O        4.20915000       2.43898000      14.69298000      -0.15625087       0.27340760      -0.63133896
O        1.57092000       2.43419000      14.73358000      -1.16731018       1.35775179      -2.07273558
O        2.78577000       0.05892000      14.52092000       0.47444734       0.01385332       1.23075849
O        1.50388000       4.10367000      24.18524000       2.09956886       0.62054189       2.20137787
O       -0.94261000       4.08403000      24.36497000      -1.78378218       0.00358150      -0.45979101
O        0.23083000       1.70929000      24.22121000       0.54782255       1.07796279       1.70030015
O       -2.73843000       5.04063000      21.59414000      -0.03905851       0.08888816       1.04615343
O        2.87755000       1.74351000       2.58708000       0.24635510      -0.45411545       1.13035123
O       -0.14965000       3.41916000      12.10835000      -0.35827022       0.02401195      -1.53990160
O        5.69491000       0.16795000       7.22693000       0.58427416       0.22041178       1.39633844
O        2.62225000       1.78556000      16.76643000       2.07469765      -0.09147964       0.52096560
O        0.11384000       3.29002000      26.58176000       1.39156807      -0.22813347      -0.60155255
O        2.88124000       4.97347000       0.61657000       0.47587583       2.29111060      -1.71949075
O        2.75453000       1.74830000       9.98329000      -0.53976121      -0.42399011       2.20648108
O        0.19134000       3.40281000      19.59950000       0.19634115      -0.12731007      -1.83509819
O       -0.20733000       1.42391000      16.91733000       0.93379393       2.30102467      -0.89569166
O        1.56305000       4.34289000      16.83332000      -0.93306237       0.05235811       1.35333702
O       -1.50238000       4.49496000      16.87524000      -0.04351929      -2.76356668      -0.99279063
O        3.21252000       3.36272000      26.53788000       0.03938081      -0.95027473       0.59980122
O        1.85268000       0.97114000      26.46251000      -0.30338276      -0.91818057       1.47217555
O        4.52059000       0.94834000      26.70184000      -1.34923258      -0.55367771       0.00405861
O       -0.24908000       5.08349000       7.51399000       1.53796119      -0.71743387      -0.45954478
O       -1.52731000       2.71777000       7.42299000       0.63392265       0.52177497      -0.87451131
O        1.25564000       2.73018000       7.38968000      -0.62685271      -0.34055136      -0.10625934
Zn       0.24272000       0.16680000      27.30269000       0.26890600      -0.84334455       0.09993543
Zn       2.90219000       1.79134000       8.20178000      -0.70647748      -0.05898241      -2.56665437
Zn      -0.03073000       3.41956000      17.53089000       0.29259698      -0.83034118       0.94692615
Zn      -2.73835000       5.05837000      23.69904000       0.64052950      -1.46830229      -1.08074456
Zn       2.80583000       1.93370000       4.47468000      -0.13505206      -0.14461050       0.71753950
Zn      -0.04750000       3.28085000      13.96103000      -0.33324927      -0.12572218       1.18291211
Zn       2.69741000       5.08422000      13.16950000       0.37684249      -0.13337914       0.46369104
Zn       3.21971000       1.56644000      22.95573000       0.06372465      -0.09658425      -1.03436446
Zn      -0.26519000       3.39249000       3.88595000       0.27120110       0.29607769      -0.91376615
Zn       5.67779000       0.09678000       9.39333000       0.85648030      -0.77107308      -0.88354203
Zn       3.07566000       1.62178000      18.65462000      -0.09854915      -0.21416354       1.20014977
Zn      -0.04331000       3.46517000      28.45351000       0.47327171      -0.64895183       0.71241702
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.40749605 magmom=72.0010617 free_energy=-551.40749605 stress="-0.03295982715290911 0.0016116551361925855 -0.003817995270050567 0.0016116551361925855 -0.03555783622754009 0.0011108425855766925 -0.003817995270050567 0.0011108425855766925 -0.03502715988451902" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.28675000       0.79747000      15.76100000       1.80164969       0.59380338      -1.17991625
Cr       4.20466000       0.78529000      15.78201000       2.82549589       3.13128672       1.52904555
Cr       2.73905000       3.48775000      15.75943000       2.26573908      -1.00085848      -0.52632339
Cr      -1.31791000       2.46819000      25.42056000       2.22368385      -0.80272942      -1.26200140
Cr       1.93433000       2.48163000      25.26343000      -1.82958864      -1.10602970       0.98871285
Cr       0.21895000       4.90132000      25.55926000       1.48907734       0.38300181      -2.05122941
Cr       1.28585000       4.30134000       6.33721000       2.18825611       0.47881818      -1.84835263
Cr      -1.51304000       4.52339000       6.35362000      -1.90979134      -1.65832048      -1.60824707
Cr      -0.14954000       1.82083000       6.24885000      -0.23224012       0.13399508      -0.15164246
Cr       0.04429000       0.05463000      18.06001000       0.92258430      -0.97658602       1.45669049
Cr       3.09706000       1.64352000      27.74122000      -2.04591141       2.29936350       2.79250686
Cr      -0.25732000       3.40395000       8.61130000       2.94567315       1.00284027       1.41462571
Cr       5.76106000       0.23056000       3.99155000       1.36276550      -2.94370477      -2.47524608
Cr       2.85769000       1.69313000      13.37834000      -1.09612928      -0.31836365       1.55470079
Cr       0.39353000       3.24170000      23.05504000      -1.96541712       0.91539552      -0.84953324
Cr       0.19609000       1.76890000      20.61591000      -1.83894237      -2.21094665       0.38627339
Cr       1.67251000       4.07849000      20.59974000      -0.87232552       2.64235914      -0.90301478
Cr      -1.50396000       4.30933000      20.58717000       3.41940221      -1.62675637       1.32820919
Cr       2.96297000       3.45880000       1.60763000      -0.42652266      -1.95467115       0.06454355
Cr       1.38304000       0.79279000       1.65287000       0.86253355       2.78902405      -1.12093941
Cr       4.37742000       0.84041000       1.60293000      -0.93578648      -0.04464812      -0.24936795
Cr      -0.23085000       5.10300000      11.10649000       1.72548083      -3.36858693      -1.17528518
Cr       4.19604000       2.54063000      11.01940000       1.79245347       0.24557540       0.69409248
Cr       1.32558000       2.52745000      11.05437000      -0.96928881       0.82325633       0.07724653
O        1.45889000       0.81514000      19.43568000      -0.16827337      -0.50813564      -0.63246437
O        4.71293000       0.70215000      19.26008000      -0.68595195       0.36130912       2.25407823
O        3.16719000       3.52514000      19.34452000      -0.93635898       0.33597133      -0.34702700
O        4.27672000       2.42463000       0.42960000       0.45017689       0.72769071       0.07641354
O        1.53263000       2.58835000       0.54948000       0.50501966      -1.13103203      -1.09051281
O        2.83410000       0.20719000       0.44542000       0.33975035       0.12785900      -0.05758333
O        1.19934000       4.10702000       9.90041000       0.16337713       0.95792446      -0.34529158
O       -1.47070000       4.19237000       9.85704000      -1.27030051      -0.17936107       0.57795694
O       -0.12442000       1.91639000       9.84922000      -0.99699634      -1.40683013       0.09421546
O        1.50014000       0.87256000      12.18569000      -2.27384649       0.59846706       1.25136164
O        4.06354000       0.83925000      12.17159000       1.85567883       0.69133900      -0.00350947
O        2.78035000       3.31384000      12.22661000      -0.01002719      -0.47043514      -0.44231095
O       -1.21856000       2.44684000      21.93730000       1.34114505       1.37759515      -0.86110487
O        1.73663000       2.54458000      21.68906000      -1.14046010      -1.24397297       0.92368801
O        0.35833000       4.77738000      21.93526000      -1.36795344       0.97928570      -1.14064506
O        1.55972000       4.26338000       2.76936000       0.55390312       1.33838935       0.39307557
O       -1.39452000       4.29923000       2.72025000      -2.13403213       0.52543391       0.47781258
O       -0.19298000       1.74009000       2.70985000       1.20393620      -1.28458722       0.64825390
O        1.33562000       0.93615000       5.17413000      -1.38762585       0.32338531       0.58626776
O        4.32587000       0.73184000       5.01948000      -0.56902976       1.61715665       2.38444206
O        2.84132000       3.68258000       5.17887000       0.46787555       2.19115075       1.30299754
O        4.10595000       2.40804000      14.62790000       1.05877860       1.25216390       0.04408133
O        1.48106000       2.44248000      14.70715000       0.46705514      -0.31631368      -0.84354849
O        3.05398000       0.07303000      14.65186000      -3.91826606      -1.39725479      -2.34040158
O        1.68615000       4.08834000      24.35547000      -1.08924839       0.68051020      -0.41769725
O       -1.04491000       4.14407000      24.33116000      -0.17563590      -1.14406714      -0.77936946
O        0.36823000       1.78550000      24.31730000      -0.72598967      -1.07432250       0.18308436
O        2.97615000       5.06270000      21.71672000       1.26587106       0.32718109      -0.69444496
O        2.86726000       1.72885000       2.62118000       0.32150747      -0.24379428      -0.08714261
O       -0.20475000       3.31087000      11.94792000       0.09251989       0.46366635       2.30014457
O        5.75670000       0.14400000       7.33204000      -0.04988998       0.01020834      -0.21491278
O        2.75468000       1.87069000      16.84113000       0.00975024      -1.51862873      -0.88794296
O        0.06777000       3.25852000      26.44967000       1.32462638      -0.54226593       1.32034314
O        2.91407000       5.02000000       0.42253000       0.19538561       1.05652398       1.88569609
O        2.78091000       1.60712000      10.17333000      -0.24834286       1.19263761      -3.03220449
O        0.02844000       3.29469000      19.45042000       0.49542329       1.20905728       1.20200131
O       -0.11037000       1.62723000      16.77093000      -0.38240206      -1.32276553       0.43842324
O        1.48401000       4.36537000      16.89935000       1.09903694       0.45857915       0.50001228
O       -1.55900000       4.31668000      16.82603000      -1.58909382       0.08954231      -0.38711346
O        3.24965000       3.28523000      26.41576000      -0.71951070      -0.01815027       1.44345457
O        1.93771000       0.87995000      26.38710000      -2.49782181       0.11064150       1.15495678
O        4.37278000       0.73622000      26.76124000       1.86102300       0.42146379      -1.99085091
O       -0.04832000       5.05720000       7.44172000      -0.70226626       0.90049847       1.20953495
O       -1.52880000       2.79986000       7.31995000      -0.67118208      -1.00946718       0.11211300
O        1.17408000       2.73706000       7.44279000       0.40581044      -1.27974197      -0.02690811
Zn       0.25653000       0.11171000      27.17986000       0.34626185      -0.41535507      -0.41867714
Zn       2.91731000       1.77629000       8.25100000      -0.58974901       0.24974889      -1.05295684
Zn       0.00485000       3.39166000      17.50957000      -0.67093071      -0.35172859       0.92494791
Zn      -2.71039000       5.02203000      23.77565000       0.84112995       0.57232788      -1.19120394
Zn       2.78467000       2.00088000       4.54040000       0.80296251      -1.50960165      -1.13328285
Zn      -0.02013000       3.22501000      13.99087000      -1.84697976       0.93102297      -0.50835371
Zn       5.65782000       0.01276000      13.09497000       0.53631486      -0.02940255       0.63457906
Zn       3.24682000       1.58556000      23.00655000       0.27314512      -0.39040699      -0.80024604
Zn      -0.10050000       3.46508000       3.92992000       0.34467047       0.22120295      -0.85553773
Zn       5.83041000       0.02408000       9.29776000      -1.28135797       0.02902589       0.10339612
Zn       3.14542000       1.59410000      18.68473000      -0.41363184       0.52463871       1.04349217
Zn      -0.02496000       3.54365000      28.45035000       0.18816816      -1.49249540       0.22687250
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.47259113 magmom=71.9993567 free_energy=-552.47259113 stress="-0.04277798108536724 0.002817052228453039 0.005116657891254633 0.002817052228453039 -0.025412545334527456 -0.00735458700184773 0.005116657891254633 -0.00735458700184773 -0.03396731986566259" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29187000       0.76681000      15.78988000       2.05350435      -0.62249889      -3.11121048
Cr       4.27181000       0.90643000      15.86421000       0.69376297      -1.68520371      -3.58770025
Cr       2.81584000       3.38167000      15.75816000      -2.12888227       0.47026363      -1.32330068
Cr      -1.29741000       2.46867000      25.37080000       1.82573749      -1.76532773       1.04002058
Cr       1.91083000       2.35331000      25.23726000      -1.80897374       1.00443212       2.04778327
Cr       0.23905000       4.90002000      25.42612000      -1.38230542      -0.08205244       0.66837641
Cr       1.31128000       4.30947000       6.32836000       0.59138716       0.67597125      -0.23779094
Cr      -1.56739000       4.51518000       6.34911000       0.66630589      -1.98361752      -0.41346764
Cr      -0.14843000       1.76676000       6.30998000       0.12545543       1.71350727      -0.02517186
Cr      -0.01255000       0.09782000      18.09102000       1.31067190      -1.00526753       2.51883098
Cr       3.09148000       1.70282000      27.69504000      -0.93307790       0.11242559       1.43528208
Cr      -0.20658000       3.45976000       8.67307000       0.92826952      -1.47450642      -0.04772360
Cr      -0.10669000       0.19186000       3.89175000       0.15173718      -1.28974989       1.54707930
Cr       2.83361000       1.75235000      13.44588000      -0.06005921      -2.95275834      -2.45568003
Cr       0.31705000       3.28528000      23.07244000      -0.46503581       0.85720991      -1.07429096
Cr       0.02405000       1.73071000      20.70539000       0.66476570      -0.90939257      -1.05845099
Cr       1.54988000       4.07914000      20.63814000       0.84590441       1.94107665      -1.05084997
Cr      -1.48785000       4.35272000      20.58938000       2.35615609      -0.81545033       0.12345349
Cr       2.86703000       3.44246000       1.67470000       0.56907631      -0.42861214      -1.30491395
Cr       1.43969000       0.86345000       1.57375000       0.48080163       0.75093769       0.44995092
Cr       4.45110000       0.91661000       1.55685000      -1.84381061       0.74229292      -0.18597845
Cr      -0.21036000       4.94421000      11.13470000       1.04841684       3.56067546      -0.13586335
Cr       4.25129000       2.55464000      11.08476000      -0.80312116      -2.45180831      -0.67967275
Cr       1.34990000       2.53276000      11.03803000      -2.22817667      -1.04550202      -0.97031224
O        1.43955000       0.90833000      19.31771000      -0.89527346      -1.02409566       0.54738351
O        4.68809000       0.72645000      19.50675000      -0.41973778       0.27974054      -0.04718734
O        3.01863000       3.59747000      19.38994000       0.37835436      -0.30685903      -0.44362731
O        4.23986000       2.61632000       0.45210000       0.59778708      -0.57891321      -0.19000927
O        1.65431000       2.42300000       0.25425000      -0.67408397       1.46674291       1.16029328
O        2.73494000       0.29814000       0.29797000       2.39765331      -2.19008810       0.67521311
O        1.20106000       4.15476000       9.91108000      -0.35263682      -0.13130814      -0.02641190
O       -1.54159000       4.13792000       9.93040000       0.66252844      -0.22786711       0.25338359
O       -0.31660000       1.72892000       9.86979000       0.92474406       1.92434073      -0.02219608
O        1.35797000       0.94925000      12.15994000       0.81121223      -1.12626603       0.72397304
O        4.19127000       0.92980000      12.22571000      -1.01902145      -0.45301501      -0.27183613
O        2.70662000       3.18866000      12.14113000       1.25247475       1.94646411       1.21193278
O       -1.14958000       2.66289000      21.95326000      -1.00946443      -0.56665546      -0.52025519
O        1.56098000       2.50455000      21.78108000       0.06376675      -0.31559500       0.33913822
O        0.19921000       4.86767000      21.74695000      -0.77285871       0.62881284       1.41758520
O        1.44748000       4.37858000       2.78455000       0.87001450       0.19307224      -0.80693481
O       -1.60997000       4.21385000       2.88762000      -0.94681319       1.43289203      -0.78903558
O       -0.03792000       1.62504000       2.69542000       0.34606043       1.17896369      -0.41676235
O        1.21801000       0.88868000       5.20254000       1.16004350       1.74663359      -1.00049362
O        4.44762000       0.98207000       5.25421000      -1.77914916      -1.05847734      -1.73197426
O        2.82107000       3.90636000       5.20294000       0.32392066      -2.71600010      -0.16347523
O        4.13774000       2.54379000      14.59817000       0.12599573      -0.77216855       0.89332952
O        1.52787000       2.41615000      14.55544000      -1.45357031       0.50085722       2.21609050
O        2.75365000       0.02522000      14.56446000       0.66180139       0.99513758       1.28513674
O        1.67489000       4.12908000      24.47966000       0.27703986      -0.62399724      -2.35619685
O       -1.12112000       3.95396000      24.20362000       0.37712881       1.34335534       0.67578257
O        0.33429000       1.76664000      24.40694000      -1.12641484      -0.99620708      -2.11169643
O       -2.87774000       5.10893000      21.66697000      -0.35111884      -0.14819578       0.99639774
O        2.92023000       1.67687000       2.57540000      -0.11371115       0.70040615       0.93275132
O       -0.21515000       3.29843000      12.11293000       0.74490967       0.23274525      -0.40068639
O        5.80454000       0.12264000       7.33758000      -0.65324187      -0.44174206       0.05553534
O        2.89113000       1.70007000      16.75021000      -1.87972414       0.28309777       1.88633364
O        0.23461000       3.17847000      26.44924000      -0.35965885       0.76098921      -0.21975029
O        0.01657000       0.17029000       0.54942000      -0.87561993      -1.95482289      -1.10642293
O        2.75316000       1.62865000      10.02883000       0.24812483      -0.22073332       1.44441787
O       -0.03023000       3.38756000      19.56855000       0.23567149      -0.02371918      -0.28106796
O       -0.08533000       1.65307000      16.70420000      -0.42251424      -0.22995276       1.88759692
O        1.51560000       4.48297000      17.06422000      -0.53832650      -1.06088032      -1.23079464
O       -1.78401000       4.12809000      16.73240000       2.30803292       2.43905591       2.59865213
O        3.18535000       3.17910000      26.46526000       0.39931344       0.55426881      -0.39215319
O        1.72818000       0.81444000      26.44249000       3.24787053       0.56079634      -1.23013755
O        4.43216000       0.68707000      26.49481000       0.27081828       1.93937302       0.67821940
O        0.00404000       5.07276000       7.51156000      -1.37230337      -0.44269550      -0.16301733
O       -1.54375000       2.75708000       7.24748000      -0.12353889       0.35658454       1.56287158
O        1.12284000       2.60032000       7.44062000       1.43655295       1.28714419       0.46146889
Zn       0.26870000       0.02520000      27.06578000      -2.13055454      -1.15022304       1.75128972
Zn       2.90171000       1.77836000       8.22463000      -0.10301311       0.57617594      -1.81478800
Zn       0.00337000       3.35159000      17.53569000      -0.50235680       0.90436620       0.92001265
Zn      -2.65191000       5.00539000      23.77961000      -0.30529434       0.59357778      -1.27949812
Zn       2.80279000       2.00576000       4.56750000       0.44279997      -0.42709161       0.04792983
Zn      -0.08680000       3.22067000      13.99906000      -0.06249081       1.05003687       0.39231390
Zn       5.69764000       0.04676000      13.06414000       0.43408597      -0.37456086       0.46416157
Zn       3.28688000       1.58615000      23.01616000      -0.11828579      -0.19719741      -1.28525980
Zn       0.06676000       3.54029000       3.94932000      -0.92340190      -0.07545777      -0.32037487
Zn       2.94887000       5.06997000       9.20586000      -1.75433952       0.54168454       0.86555037
Zn       3.18920000       1.59765000      18.75988000      -1.02266853       0.97575432       0.26970255
Zn       0.00575000       3.54327000      28.46160000       0.40397128      -0.87532881      -0.16080294
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.59647711 magmom=71.9974957 free_energy=-552.59715845 stress="-0.04663347624102343 0.007998463036866204 0.00527582983065833 0.007998463036866204 -0.048832591135260686 -0.003294737316391629 0.00527582983065833 -0.003294737316391629 -0.045138026782521386" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35335000       0.70172000      15.74646000      -2.22545729       1.80725661       1.97204503
Cr       4.38672000       0.93514000      15.81034000      -1.65651763      -2.18003707      -0.11250282
Cr       2.81617000       3.34492000      15.75477000      -1.09268547       1.70567408       2.60955459
Cr      -1.18624000       2.38050000      25.40084000      -0.29605854       2.53967736      -2.18095803
Cr       1.79817000       2.28624000      25.34599000      -1.67777961       3.36284840      -3.12034922
Cr       0.22257000       4.91692000      25.34414000       2.05493417      -0.02764497      -0.79622141
Cr       1.36576000       4.35049000       6.29439000      -1.81652677       0.41707542       0.43565803
Cr      -1.58500000       4.39181000       6.31481000       0.77149803       0.43301849      -0.51837560
Cr      -0.14302000       1.82221000       6.36463000       0.10506233       0.48966497      -0.95561484
Cr       0.02064000       0.07402000      18.18617000      -1.95491995      -1.17440344       0.63929215
Cr       3.05777000       1.75508000      27.69768000       1.53796952      -1.25587823       0.57398111
Cr      -0.09789000       3.43843000       8.73856000      -1.66380034      -0.31523352      -1.04700312
Cr       5.82058000       0.10692000       3.88083000      -1.78510477       3.23935833       2.06643260
Cr       2.77887000       1.66460000      13.40183000      -0.76684085       0.94728388       1.26356386
Cr       0.20460000       3.37609000      23.00474000      -0.34303372      -0.26189303      -0.54621812
Cr      -0.08813000       1.64710000      20.74532000       3.02028240       1.46297690      -0.08889845
Cr       1.47798000       4.20131000      20.63249000       1.45429026      -0.76630220       1.59965147
Cr      -1.36598000       4.35476000      20.59731000      -2.81548289       0.04401752       0.35830214
Cr       2.80927000       3.40102000       1.65233000       0.48203650       2.62647742      -2.10892520
Cr       1.51982000       0.96874000       1.49467000      -1.30418284      -2.77735151       0.23693259
Cr       4.42027000       1.03867000       1.48311000       1.21478597      -1.07900675       1.10107498
Cr      -0.12614000       4.97785000      11.15197000      -0.94106547       2.31969857      -0.03224636
Cr       4.26394000       2.44481000      11.12522000      -0.73600323       1.74417222      -0.23289713
Cr       1.26934000       2.48840000      10.99969000       1.14147876      -0.19324966       1.78649114
O        1.26738000       0.79610000      19.35393000       1.77589663       0.99363521       1.23235952
O        4.54766000       0.76392000      19.71799000      -0.76570599      -0.19695012      -2.48310877
O        2.92218000       3.63878000      19.38719000       0.73223494      -1.20341926       0.36018225
O        4.27091000       2.68861000       0.45935000      -0.05064631      -0.44792970      -0.70241204
O        1.68763000       2.45389000       0.21754000      -0.74759043       0.50130837       1.00114161
O        3.01104000       0.16023000       0.33336000      -0.13150392       1.74845747       0.46716296
O        1.14614000       4.16183000       9.93289000       2.16452442       0.41411007       0.08450375
O       -1.44595000       4.04515000      10.04482000      -1.28840826       1.58317915      -1.37449289
O       -0.29652000       1.87117000       9.87506000       1.74111328      -2.05730229      -0.45575042
O        1.39418000       0.89550000      12.24059000       0.47061103       0.01154396      -0.94961237
O        4.11967000       0.93761000      12.22019000       0.63881046      -1.83633511       0.61357279
O        2.80730000       3.28561000      12.21200000      -0.52458820      -0.44960588      -0.23059488
O       -1.18989000       2.77946000      21.82479000      -2.24868924      -1.33843807       0.73544143
O        1.33586000       2.45423000      21.87511000       1.98451362       0.60737560      -1.58058782
O       -0.03060000       5.01599000      21.79321000       1.97042307       0.28248378       1.04908205
O        1.53374000       4.54542000       2.65764000      -1.79712057      -1.45484678       0.83622215
O       -1.96072000       4.37856000       2.78976000       5.06636420      -1.32022169      -1.30002178
O        0.13747000       1.61098000       2.62983000      -1.45239381       1.88677226       0.70728347
O        1.21165000       1.07368000       5.12392000      -0.19106395      -1.43574540       0.88160164
O        4.33164000       1.03004000       5.28177000       1.08549879      -1.42985090      -0.14529148
O        2.85812000       3.74690000       5.22204000      -0.34223603       0.01807263      -0.55045298
O        4.13297000       2.50250000      14.71669000       0.41755048      -0.58988051      -1.48172799
O        1.46806000       2.39508000      14.74934000      -0.74562152       0.66428790      -1.36976419
O        2.60767000       0.13789000      14.62151000       3.64635128      -1.94533120      -1.80406199
O        1.59292000       4.05081000      24.21657000       0.63095642      -0.37611287       0.61041818
O       -1.10287000       3.96122000      24.26781000      -0.91084962       1.36353514       0.82513172
O        0.13053000       1.67713000      24.16758000       1.15182485       1.14118627       1.11338540
O       -2.84907000       5.10154000      21.69423000      -0.80742334      -0.87107830       0.45999144
O        2.94422000       1.75649000       2.61635000      -0.20253406      -0.25894327       0.28101192
O       -0.10120000       3.34345000      12.12935000      -0.34381166      -0.76480819      -0.10432352
O        5.75197000       0.05766000       7.26992000       0.43682632       0.63677148       0.88855036
O        2.77040000       1.54978000      16.83879000       1.00225266       1.05355011       0.23643978
O        0.32022000       3.23919000      26.38281000      -0.32773754      -0.19596581       0.84361975
O       -0.04006000       0.10072000       0.58082000       0.58378503      -0.50772450      -1.97767834
O        2.76146000       1.64278000      10.08959000       0.22027484      -0.44550402      -0.91697228
O       -0.00053000       3.44888000      19.67413000       0.39623236      -1.18798257      -2.19789712
O       -0.11732000       1.58370000      16.90765000       0.56950458       0.10803508       0.03719736
O        1.51849000       4.43229000      16.95221000       0.13185831      -0.64210908      -0.49264137
O       -1.72704000       4.31576000      16.95769000       0.44741881      -1.15043947      -0.67907647
O        3.17059000       3.20885000      26.43724000       0.31685335      -0.55600885      -0.17869082
O        1.95294000       0.77173000      26.37452000      -1.97570059      -0.88371436       2.40945565
O        4.53921000       0.89349000      26.34603000      -0.51380110      -2.84575922       3.08896228
O       -0.20313000       4.97878000       7.53552000       1.12830834       0.98342828      -0.70938721
O       -1.51308000       2.77534000       7.43358000       0.37296969      -0.13210853      -0.01528669
O        1.25612000       2.70665000       7.46216000      -0.08908991       0.26989838      -0.37968058
Zn      -2.75308000       5.00928000      27.02592000      -0.15963092       0.79235453       1.07007216
Zn       2.87703000       1.80377000       8.12030000      -0.24121601      -0.62630076       0.30023911
Zn      -0.02608000       3.35830000      17.61137000       0.11451938       1.00759857       0.58332747
Zn      -2.60752000       5.01017000      23.70920000      -0.61404505      -1.10641601      -1.41346691
Zn       2.84367000       1.97828000       4.58665000      -0.14168752      -0.92184457      -0.73015076
Zn      -0.17071000       3.28008000      14.02770000       0.77448052       0.72186190       0.78766807
Zn       5.75370000       0.05630000      13.07299000      -0.29896126      -0.74470623       1.08873120
Zn       3.31386000       1.57551000      22.97524000      -0.69346873       0.28479897      -0.90080236
Zn       0.19254000       3.60677000       3.95976000      -0.72682809      -0.31779422      -0.96184298
Zn       2.91947000       5.03618000       9.16738000      -0.27242703       0.12577231       1.81923016
Zn       3.17180000       1.65218000      18.84919000      -2.15334473       0.92267705      -0.33403852
Zn       0.05547000       3.48512000      28.45617000       0.07928916      -0.98971653      -0.89493945
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.93089395 magmom=71.997787 free_energy=-552.93089395 stress="-0.023454679903665215 -9.734769436475852e-05 -0.014015218958062082 -9.734769436475852e-05 -0.030850371599680255 0.00944896307526996 -0.014015218958062082 0.00944896307526996 -0.02750370283021421" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33199000       0.71918000      15.80688000       1.00844150       1.26512081       0.68722932
Cr       4.43251000       0.82516000      15.75750000      -1.41675991      -0.19337492       0.66291375
Cr       2.75718000       3.38206000      15.87272000       2.39131797      -2.42014861      -1.34179783
Cr      -1.12712000       2.37070000      25.38926000      -2.59061707       0.66253178       0.00883157
Cr       1.63963000       2.37771000      25.37156000       1.88407767      -1.06608347      -1.81824645
Cr       0.30339000       4.96591000      25.27889000       0.62164707       1.46673375       1.77629014
Cr       1.31664000       4.40726000       6.29275000       0.45354120      -0.60536574       0.63243745
Cr      -1.55341000       4.28056000       6.26111000      -0.96075421       1.85178988       0.34257644
Cr      -0.11810000       1.92040000       6.36640000       0.49863931      -1.90864930      -0.73677070
Cr       2.94040000       5.10192000      18.30976000      -0.64833215       0.23526884      -0.36962617
Cr       3.09066000       1.73814000      27.73257000       0.02138678      -1.18266314      -0.43689843
Cr      -0.06414000       3.41292000       8.75150000       0.23524503       1.72469117       1.13961989
Cr       5.79301000       0.16429000       3.93790000       0.94425027       0.39860551      -2.80366484
Cr       2.70893000       1.61512000      13.40681000       1.26477041       1.61060117       2.11755024
Cr       0.08519000       3.43671000      22.89748000      -0.50030196      -1.81283043       1.80358955
Cr      -0.04246000       1.63704000      20.75616000      -0.07828531       1.14753188      -1.24016088
Cr       1.49062000       4.27797000      20.67881000      -0.31389046      -2.24134920      -0.12189112
Cr      -1.38024000       4.34342000      20.62221000      -1.02397859      -1.70943156       0.62680899
Cr       2.81456000       3.51411000       1.52807000       1.59250795       1.00908710       0.24152214
Cr       1.52157000       0.92791000       1.44497000      -0.74587616      -1.05499081       1.02546349
Cr       4.44783000       1.10128000       1.46395000       2.06922114      -0.74922611       2.29031400
Cr       2.85965000       0.00267000      11.13722000      -0.38906608      -3.77720801      -1.83499508
Cr       4.24170000       2.41562000      11.14112000       1.48224570       2.04697917      -0.55390786
Cr       1.26915000       2.43340000      11.05058000       2.60138486       1.55082385       0.54455828
O        1.33152000       0.80185000      19.58486000      -0.25312164       0.26603063      -0.97860268
O        4.40911000       0.70814000      19.57105000       2.03924151       0.31723277      -0.45397292
O        2.95663000       3.53890000      19.48488000       0.32903192       1.17289658       0.54845843
O        4.28667000       2.67455000       0.33937000       0.12957827       0.23313460      -0.03013850
O        1.63785000       2.53433000       0.33896000       0.88148662      -0.83458045      -0.82695062
O        3.21493000       0.24419000       0.41889000      -2.84263727      -0.72515839      -1.27338326
O        1.33280000       4.17500000       9.99120000      -1.21409801      -0.44066272      -0.18191516
O       -1.48502000       4.18419000       9.95474000       1.06262957      -1.25273881       0.37596996
O        0.00264000       1.76632000       9.83972000      -1.77165843       0.15050096      -0.14610260
O        1.51621000       0.84830000      12.16911000      -2.38157153      -0.37649069       0.58897532
O        4.11609000       0.74894000      12.31840000       1.22769458       1.60316005      -0.09136529
O        2.83687000       3.25823000      12.26085000      -0.32034341      -0.68024465      -0.16783506
O       -1.50422000       2.65629000      21.76287000       1.94853520       0.49173890      -0.09500647
O        1.34916000       2.58615000      21.70643000       0.01274726       0.04260712       0.41029506
O        0.03119000       5.07754000      21.94228000      -0.18928434      -0.83645728      -2.05012844
O        1.45691000       4.50240000       2.63852000       1.12203256       0.32996909       0.65200747
O       -1.64047000       4.45030000       2.54754000      -0.67199393       0.19296953       1.79368124
O        0.07206000       1.83586000       2.63006000      -0.31420621      -1.18967211       0.58609312
O        1.16268000       0.98687000       5.19726000       0.99098642      -0.50590709       0.18922476
O        4.38445000       0.80455000       5.21867000       0.24242714       2.46601946      -0.71579510
O        2.84419000       3.66662000       5.17311000      -0.23587901       0.52210103      -0.05089106
O        4.09459000       2.35123000      14.65638000       0.23442390       1.49654195      -0.05332963
O        1.32867000       2.46055000      14.80400000       1.25090868      -0.91258658      -0.73828275
O        2.95468000       0.06715000      14.56356000      -1.17689014       0.63326342       1.45409048
O        1.58370000       3.88168000      24.03226000       0.42662097       1.44647717       1.43433533
O       -1.16802000       4.18094000      24.44502000       0.20214990      -1.50200559      -1.75462695
O        0.14529000       1.82032000      24.09672000       0.77328387      -1.48376090       0.11725534
O        2.94549000       5.00003000      21.71169000       0.69118088       1.03919178      -0.35360465
O        2.91937000       1.83130000       2.58972000       0.13242981      -0.10457490      -0.24894341
O       -0.08592000       3.29581000      12.04704000      -1.30132393       0.19892840       1.21966567
O        5.76480000       0.10050000       7.29444000       0.45420457       0.33542014      -0.24454167
O        2.77200000       1.60980000      16.92400000       0.74691215       0.41905150      -0.89295480
O        0.31023000       3.29281000      26.35862000      -0.44327377       0.03530327       1.09557340
O        2.93764000       5.05465000       0.30624000       0.24740292       1.62813703       2.29967455
O        2.81236000       1.61448000      10.10103000       0.21273606       0.61418457      -1.65151284
O        0.08598000       3.34766000      19.55720000      -0.76823136       0.39056756       1.82548696
O       -0.08213000       1.50476000      17.08938000      -0.08236651      -0.08687644      -1.34104585
O        1.49973000       4.27862000      16.76509000      -0.93661353       1.37539982       2.91896351
O       -1.58536000       4.37280000      17.10591000      -1.50516149      -0.79777973      -1.20637271
O        3.20050000       3.12708000      26.30477000      -0.61146173      -0.39780701       0.78001967
O        1.91287000       0.61455000      26.58139000      -0.37843532       1.59327431      -0.98247920
O        4.52163000       0.79211000      26.58862000      -0.81245286       1.08187627      -1.48830445
O       -0.19966000       4.99489000       7.42013000       0.86371465       0.95848647       0.46020361
O       -1.40570000       2.78653000       7.57660000      -1.25330537      -1.00373824      -1.61784281
O        1.32286000       2.89029000       7.42216000      -0.50932597      -1.95407802       0.29383272
Zn      -2.82869000       4.91570000      27.05528000       1.33713858      -0.25897993      -0.12501334
Zn       2.84221000       1.80286000       8.01661000      -0.07098322      -0.52593231       0.82081844
Zn      -0.04715000       3.41369000      17.70331000       0.45556588      -0.35687290      -0.93288538
Zn      -2.60368000       4.97499000      23.57894000      -1.25241888       0.32752701       0.29700660
Zn       2.87777000       1.88988000       4.57168000      -0.37468471      -1.08311752      -1.00155560
Zn      -0.21488000       3.37161000      14.08923000      -0.26908772      -0.60321435      -0.68078290
Zn       5.79761000       0.02496000      13.13513000       0.00047135      -0.71809271       0.49714039
Zn       3.30462000       1.58419000      22.91203000      -0.83463698       0.64155179       1.04904387
Zn       0.26778000       3.65376000       3.93574000      -1.44051435      -0.80479602      -1.30349881
Zn       2.87075000       5.01270000       9.21526000      -0.00193527       0.18742671       0.36681656
Zn       3.03609000       1.75661000      18.90913000      -1.31154609      -0.30546586      -0.69930424
Zn       0.10060000       3.39450000      28.41474000      -0.88690720       1.30217770      -0.33740922
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.51110735 magmom=71.9972497 free_energy=-552.51110735 stress="-0.04370386659058657 -0.004647056100645355 -0.0033317232074792243 -0.004647056100645355 -0.0428209569215554 0.0022599609325169353 -0.0033317232074792243 0.0022599609325169353 -0.0452696291834444" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34780000       0.81259000      15.94515000       1.39879164      -0.73376998      -1.35996163
Cr       4.40863000       0.70102000      15.77233000       1.35669758       2.45474921       1.28988460
Cr       2.79724000       3.33074000      15.96037000       0.40271027       1.33417101      -2.62429393
Cr      -1.21956000       2.41580000      25.37758000       0.21278743       0.05466557      -0.72692848
Cr       1.60201000       2.41979000      25.33371000       0.78939860      -1.37706076      -0.25493834
Cr       0.39785000       5.09140000      25.31839000      -3.40754511      -1.78763031      -0.43988402
Cr       1.29488000       4.43440000       6.31227000       2.88317875      -0.20721463      -1.61879182
Cr      -1.56686000       4.27574000       6.23921000      -0.34112629       0.76684937       0.96016737
Cr      -0.06148000       1.90634000       6.31360000      -0.00233515      -1.81960970      -1.04365163
Cr       2.88372000       5.02197000      18.40576000       1.80684561       0.81910140      -4.17542062
Cr       3.10573000       1.65335000      27.76336000      -1.53088735       0.12570943      -0.63917112
Cr      -0.04518000       3.46210000       8.78993000       0.23401997      -1.54129166      -2.84904158
Cr      -0.06971000       0.25299000       3.85240000       2.26704536      -1.62643717       1.37669066
Cr       2.71374000       1.64521000      13.52317000       1.72400796      -1.69240278      -1.77738577
Cr      -0.03427000       3.38619000      22.89593000       2.39832031      -0.75408271       1.54568480
Cr       0.01970000       1.68904000      20.67330000      -1.05680958       0.05788211      -0.28912478
Cr       1.51269000       4.24718000      20.68160000      -1.14678182       0.87196836      -1.03386692
Cr      -1.47581000       4.25272000      20.65949000       2.29024042       0.88844234       0.94563311
Cr       2.91754000       3.67266000       1.41418000       0.88406212      -4.10511043       2.31833199
Cr       1.49768000       0.83938000       1.44351000       2.11083430       3.63403043       0.87809364
Cr       4.53790000       1.10915000       1.52807000      -2.67086250      -0.32840565      -0.49284297
Cr      -0.09067000       5.06796000      11.03841000       0.24618077       0.34505647       2.13788933
Cr       4.29154000       2.51127000      11.11743000       0.51411342      -1.76803429      -0.75006510
Cr       1.39354000       2.45392000      11.13294000      -1.35053738      -0.35840692      -1.02313802
O        1.39142000       0.84706000      19.66014000      -0.09755363      -1.09504188      -1.77820886
O        4.58222000       0.72421000      19.40043000      -2.08186008       1.53873965       2.03382736
O        3.03666000       3.58010000      19.67575000      -1.35067590      -1.44803203      -2.12678990
O        4.32330000       2.68823000       0.24642000       0.01270750      -0.22506103       0.94165527
O        1.74420000       2.49604000       0.32029000      -0.86213341       1.01484809      -0.72086495
O        2.97872000       0.22934000       0.36553000       1.25448231      -1.47939290       0.55424368
O        1.29060000       4.09336000      10.03966000       0.59974891       0.62602842      -0.33704655
O       -1.35061000       4.10781000       9.93034000      -2.17387585       0.67438958       0.35996965
O        0.04209000       1.77058000       9.85401000      -1.05145444       0.68823949       0.43335787
O        1.36086000       0.77968000      12.15517000       1.20965233       0.05338096       0.53124297
O        4.22447000       0.84791000      12.33592000      -0.91579964       0.00930671      -0.88331873
O        2.81324000       3.06280000      12.25314000      -0.01148590       2.06611507       0.40680586
O       -1.42910000       2.61466000      21.71155000       0.07080686      -0.36828276       0.97343227
O        1.31587000       2.70704000      21.65507000       0.94818779      -2.14137771       2.25352341
O        0.07222000       4.92716000      21.73985000      -1.02169611       1.61011938       0.99290541
O        1.64179000       4.52908000       2.68306000      -0.69431483      -0.00839783      -1.05151495
O       -1.44821000       4.54706000       2.62805000      -1.52571788      -1.44738650       1.29881245
O       -0.05591000       1.78558000       2.71183000       1.42947878       0.78173723      -0.29368518
O        1.24873000       0.79391000       5.28533000       1.20972301       2.10716763      -1.87947075
O        4.54279000       0.93243000       5.11384000      -1.19788107       0.63235903       0.51895531
O        2.79301000       3.76439000       5.13240000       0.09087970      -1.59141229      -0.47828094
O        4.08511000       2.42950000      14.61569000       0.61807200       0.27208136       1.60244141
O        1.45918000       2.37698000      14.73385000      -1.34471533       0.97707848       0.97109842
O        3.07487000       0.10067000      14.72872000      -3.40811639      -1.19101102      -0.83939292
O        1.58222000       3.97187000      24.14086000      -0.04849093       1.20478313      -0.17738197
O       -1.11299000       4.13025000      24.33075000      -0.61188443       0.08802026      -0.41750726
O        0.26085000       1.77635000      24.11297000      -1.39720669      -0.81861342       0.01396255
O        2.94977000       5.10409000      21.61208000       0.35258341       0.18309197       1.18926883
O        2.92928000       1.87574000       2.42735000       0.44777085       0.09669743       1.23818880
O       -0.23976000       3.27720000      12.13823000       1.87252416       1.13519233       0.39253667
O       -0.05185000       0.18472000       7.27380000      -0.46911306      -1.09543478       1.02845190
O        2.91943000       1.73250000      16.83068000      -0.32687054      -2.05804417       2.31577670
O        0.22771000       3.32098000      26.40276000       0.11380562       0.14846505      -0.55300582
O        0.05904000       0.12243000       0.43592000      -1.09637455       1.06670523      -1.65654534
O        2.91287000       1.65681000       9.91277000      -0.42628412      -0.11552472       1.36967642
O        0.01741000       3.33268000      19.72389000      -0.26332644       1.10944315      -2.30205293
O       -0.06898000       1.39972000      16.99828000      -0.59439008       1.28347039       1.09944294
O        1.43749000       4.32213000      17.02287000       1.45198166      -0.42663289       0.56799963
O       -1.71615000       4.26511000      16.99623000       0.45109871      -0.38339108       0.86015119
O        3.12917000       2.98004000      26.29887000       0.03764667       2.26291973       1.41386121
O        1.78635000       0.74096000      26.57932000      -0.04640535       0.32851858      -1.49188035
O        4.39532000       0.78862000      26.59056000       2.72696861       0.59424256      -0.14847985
O        2.90379000       0.00810000       7.36205000      -1.69487771      -1.24430430       1.15289537
O       -1.40963000       2.68698000       7.42071000      -0.34787986       0.82375859       0.40187141
O        1.22543000       2.78966000       7.39662000       0.84000352       0.44549979       0.54256129
Zn       3.05788000       4.82385000      27.08865000       0.76210907       0.51249089      -0.02926318
Zn       2.80374000       1.77769000       7.95552000       0.16798967       0.76002026       0.50040068
Zn      -0.05230000       3.45364000      17.75838000      -1.01403979      -1.01754280      -0.16696205
Zn      -2.66436000       4.95158000      23.46453000      -0.40234345       0.21695562       1.36157436
Zn       2.88916000       1.74429000       4.50325000      -0.50246317       0.75965880      -0.64554851
Zn      -0.26295000       3.43780000      14.12120000       0.60626135      -0.56107717      -0.49855010
Zn       2.88677000       5.06571000      13.23513000      -0.65223565      -0.16768407       0.10961418
Zn       3.25076000       1.61834000      22.90123000      -0.63533113      -0.35437672       0.01770050
Zn       0.26453000       3.65934000       3.86275000      -1.18926823      -0.44133376      -0.62734168
Zn       2.82763000       4.99918000       9.28382000       0.56771972       0.62625193      -0.22540114
Zn       2.82892000       1.84888000      18.92388000       1.11415215      -1.17525527      -0.77781389
Zn       0.10920000       3.36463000      28.36055000       0.48736197       0.90366561       0.30423307
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.27225303 magmom=72.0068059 free_energy=-552.27225303 stress="-0.04199118571984096 0.0008516055360480268 0.009330920459028584 0.0008516055360480268 -0.029225120534226687 -0.011664720198368783 0.009330920459028584 -0.011664720198368783 -0.03575413482902821" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42331000       0.87329000      16.05009000      -1.11108214      -1.17731683      -0.31571573
Cr       4.42035000       0.69162000      15.86646000      -0.83090126       0.71118975       0.87291326
Cr       2.87014000       3.30948000      15.93219000      -1.96128117       0.60870109       0.68994540
Cr      -1.33734000       2.47470000      25.35254000       0.80701836       0.16378072      -0.49082856
Cr       1.63171000       2.39855000      25.27537000      -0.58166365       2.74236230      -1.18752692
Cr       3.25357000       0.03839000      25.37479000      -1.83284058      -1.14355778      -0.81938698
Cr       1.41342000       4.43892000       6.26026000      -0.65061548      -0.61124106      -0.68819925
Cr      -1.60200000       4.33445000       6.26767000       0.95466618      -0.42911652      -0.74597148
Cr       0.00090000       1.79479000       6.21941000       0.32511848       1.68861064       0.90979209
Cr       2.90109000       5.00881000      18.36974000       0.69715522       2.18881005      -0.62238661
Cr       3.04666000       1.55370000      27.77068000       0.57213916       1.36560509      -1.56832223
Cr      -0.03343000       3.43941000       8.69731000      -1.76489700      -0.38334899      -0.12847472
Cr       0.08573000       0.24812000       3.83442000      -1.74975890      -0.97667600       1.65585023
Cr       2.82427000       1.61028000      13.55700000      -0.41085873       0.01155943      -1.16391510
Cr       0.00684000       3.27161000      22.98657000       2.84837779       1.06002480       0.18268079
Cr       0.04259000       1.73739000      20.53658000       0.00199257      -0.12179498       1.29245812
Cr       1.48401000       4.25378000      20.60527000      -1.13116796       1.22784366       1.82803422
Cr      -1.49394000       4.20686000      20.70543000       0.11295060       0.82789741      -0.46394484
Cr       3.07339000       3.63245000       1.40502000      -0.91512531       0.34232377       1.04756134
Cr       1.59937000       0.93581000       1.48888000      -1.55404131       1.31713665       1.08318719
Cr       4.47778000       1.10963000       1.54737000       1.05033305      -0.98577951      -0.19555994
Cr      -0.08331000       5.02351000      11.05392000      -0.38307466       1.76617167       1.35347067
Cr       4.37527000       2.53535000      11.07880000      -1.42293775      -0.08449316       1.10985537
Cr       1.45329000       2.46633000      11.16308000      -1.66769460      -0.15955465      -0.51542021
O        1.35308000       0.68553000      19.43838000      -0.40395479      -0.02184022       0.52363998
O        4.49808000       0.97021000      19.49705000       0.42424207      -1.80016635      -0.01685210
O        2.93251000       3.46998000      19.58420000       0.30917290       2.21597614       0.62698151
O        4.34411000       2.64739000       0.34545000       0.06989124      -0.52363220      -0.86933287
O        1.78498000       2.60112000       0.21320000       0.09057621      -0.59085850       0.97065930
O        2.87756000       0.00190000       0.39558000       1.09802215       2.02110122       0.05900371
O        1.25725000       4.07803000      10.02483000       0.87016680       0.56631839      -0.78779950
O       -1.45787000       4.10291000       9.95006000       0.05261515       1.04828787      -0.84412230
O       -0.12106000       1.94529000       9.94767000       1.20134183      -2.07196434      -0.70931192
O        1.44372000       0.77046000      12.23510000       0.42132393       0.41193770       0.54112378
O        4.13796000       0.98376000      12.17080000       0.76297489      -1.78816131       1.52082549
O        2.81829000       3.14125000      12.30783000       0.67094536       0.97828016       0.64011290
O       -1.24470000       2.57251000      21.78987000      -1.82420932      -0.52014592      -0.13075059
O        1.38378000       2.54555000      21.91071000       1.28851971       0.40717176      -1.90648198
O       -0.02710000       4.95322000      21.67537000       0.83213890       0.27707791       1.80361049
O        1.80032000       4.58451000       2.54400000      -1.81755237      -0.82666791       0.98585771
O       -1.56476000       4.49288000       2.85827000       1.76341550      -0.41515830      -2.51822350
O        0.04455000       1.78188000       2.69796000       0.93598273       1.16012824      -0.64932525
O        1.46633000       0.87469000       5.11905000      -2.76387249      -0.74501987       1.65540597
O        4.58406000       1.16800000       5.07109000      -0.15735746      -2.51245152      -0.40801469
O        2.78932000       3.65041000       5.04809000       0.52306911       0.85393987       0.47506065
O        4.12674000       2.49197000      14.84878000       1.01914288      -1.85139735      -1.42103551
O        1.46864000       2.39361000      14.82434000      -0.40975894       0.66538974      -0.12181531
O        2.70176000       0.07852000      14.88599000       1.90454633       0.23295510      -0.63296437
O        1.52507000       4.25622000      24.28494000       0.44514459      -1.78099729      -1.18677413
O       -1.17665000       4.05784000      24.18006000      -1.26963476       1.25592351       1.32576958
O        0.14741000       1.64830000      24.18894000      -0.32446447       1.31969806       0.34362142
O        0.06024000       0.13019000      21.59403000      -0.97211217      -1.51330276      -0.32673975
O        3.01605000       1.91822000       2.43285000      -0.67808316       0.06593718       1.13906661
O       -0.11098000       3.42611000      12.20609000       0.48856880      -0.69666386      -0.43634115
O       -0.04829000       0.09623000       7.34458000      -0.27663271       0.19866762      -0.22635374
O        2.99119000       1.58469000      16.99121000      -0.64417408       0.43468326      -0.41300659
O        0.15311000       3.35880000      26.29137000       0.30475509       0.12548479       0.74223604
O        0.00557000       0.42359000       0.47389000       1.21730467      -2.41968879      -1.44343182
O        2.92526000       1.68190000       9.98799000      -0.69155289      -0.23503027      -0.22408615
O       -0.08293000       3.48347000      19.61684000       1.27757975      -0.70934431       0.69580858
O       -0.12289000       1.48763000      17.01763000       0.47255182       0.36767696       0.69833702
O        1.57216000       4.34877000      17.34207000      -1.84679201      -1.67908436      -3.59227282
O       -1.76757000       4.15902000      16.99867000       1.46858193       1.47958959       1.18225576
O        3.05997000       3.13058000      26.49720000       0.43765861      -2.47433294      -1.09300199
O        1.71536000       0.92891000      26.32281000       0.70029418      -2.71528370       2.43782185
O        4.62188000       0.90824000      26.48129000      -1.54519956      -0.49946915       0.94222720
O       -0.12144000       4.96359000       7.44273000       0.35726725       1.00431957      -0.43839821
O       -1.42570000       2.71963000       7.25595000      -0.05739956      -0.77948204       1.19832119
O        1.21345000       2.74730000       7.41162000       1.19205513       0.36798404      -0.71552631
Zn       3.08940000       4.76851000      27.11429000       0.20718144       3.81430528       1.00918696
Zn       2.77753000       1.78055000       7.92644000       1.01841272      -0.24941392       0.89217066
Zn      -0.10376000       3.44228000      17.79145000      -0.40399436      -0.54119372      -1.94903991
Zn      -2.75486000       4.93875000      23.42243000      -0.13938787       0.13141659       1.27923185
Zn       2.88224000       1.63802000       4.39014000       1.70317086       2.32269991      -0.97170542
Zn      -0.28248000       3.46802000      14.12495000       0.98204244      -0.98120616      -0.25952103
Zn       2.89719000       4.98309000      13.35504000      -0.39897293       0.21400617      -0.40772255
Zn       3.15277000       1.63722000      22.91055000      -0.60427932      -0.24856445      -0.66985957
Zn       0.19298000       3.63662000       3.76398000      -0.31147275      -0.29104327      -0.30470959
Zn       2.81187000       5.02086000       9.34491000       0.37862727       0.89416665       0.28737757
Zn       2.67191000       1.87030000      18.89323000       1.48310197      -2.55985205      -0.71184851
Zn       0.13224000       3.37998000      28.30900000      -0.23333911      -0.74284400      -0.70944075
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.24098958 magmom=71.9972216 free_energy=-552.24098958 stress="-0.037193700579805644 0.004357334035066704 0.00535587050678302 0.004357334035066704 -0.0266018259764136 -0.00356686061062763 0.00535587050678302 -0.00356686061062763 -0.041718988444997294" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41744000       0.86271000      16.14724000      -1.39447312       0.12431156      -2.89690474
Cr       4.41170000       0.73063000      16.04068000      -0.95581059      -0.67272361      -1.72959756
Cr       2.86500000       3.34337000      15.93423000       0.83954713      -0.45049791      -0.27936576
Cr      -1.41516000       2.53016000      25.32871000       0.43930190      -0.59911473       0.50653687
Cr       1.63617000       2.47483000      25.19983000      -0.43336524      -0.22220436       2.03056322
Cr       3.05588000       0.02663000      25.41163000       1.46643742      -1.07940846      -2.51853723
Cr       1.49989000       4.39687000       6.16333000      -2.33871484      -0.13305523       0.38840651
Cr      -1.57561000       4.35192000       6.27836000       0.79562724      -1.23062128      -0.24888165
Cr       0.05201000       1.78916000       6.18001000      -2.08458536       2.04395594       1.61159309
Cr       2.89316000       5.10626000      18.30331000      -2.24592311      -1.15893825      -0.22564821
Cr       3.01453000       1.50672000      27.72851000       1.24992154       1.68257153      -0.29542164
Cr      -0.10198000       3.37497000       8.58303000       0.26808129       0.74158217       2.04238120
Cr       0.15933000       0.15803000       3.88251000      -2.23228387      -0.45477705      -2.93846384
Cr       2.93046000       1.57439000      13.51932000      -0.49988031       1.65577371       2.32904977
Cr       0.19814000       3.21275000      23.06317000      -1.92133263       2.48980117      -1.96213942
Cr       0.04626000       1.73920000      20.45920000       0.07632774      -0.28126806       3.84824142
Cr       1.41367000       4.36246000      20.58382000       0.41255786      -0.19003808       2.91381057
Cr      -1.48453000       4.22816000      20.71908000       0.17886784      -0.94589296       0.77198314
Cr       3.16668000       3.58535000       1.45922000      -1.49568516       1.83674468      -0.81210953
Cr       1.65411000       1.12924000       1.54586000      -1.97277574      -2.37327120      -1.68634424
Cr       4.44930000       1.04176000       1.50327000       3.01928920      -1.63305978      -0.21759979
Cr      -0.08753000       5.08116000      11.15161000       0.20286619      -0.37979219      -1.86377514
Cr       4.37759000       2.52845000      11.09857000      -0.78758775       0.75410433       0.59332220
Cr       1.41837000       2.47696000      11.15658000       0.19172238       1.14927752      -0.13139530
O        1.32990000       0.55746000      19.38833000       0.26278608       1.70763690       1.23758667
O        4.43863000       0.92695000      19.62267000      -0.18859247      -0.26790595      -2.14640455
O        2.84468000       3.60778000      19.51711000       0.55080254      -1.18840194      -0.52130192
O        4.34613000       2.53053000       0.31218000       0.71781806       0.67552511      -0.72036191
O        1.85561000       2.62551000       0.28050000      -0.88389447      -0.16441557       0.07795675
O        3.00878000       0.10154000       0.46167000       0.29528685       0.28995603      -0.07396314
O        1.27008000       4.12710000       9.90532000      -1.05388740      -0.52532505       0.31566185
O       -1.49627000       4.21544000       9.89707000       1.53711667      -1.30430510       0.58045162
O       -0.11119000       1.83627000       9.94594000       0.46326356       0.36518639      -0.20647563
O        1.64503000       0.88018000      12.37606000      -2.34429678      -0.39273255      -0.72548663
O        4.16771000       0.86875000      12.22871000       1.95267402       0.22910721       0.69897875
O        2.93765000       3.31506000      12.42614000       0.19884783      -1.65044289      -1.15835380
O       -1.25130000       2.51221000      21.86621000       0.32499760       0.62994137      -0.70037741
O        1.57371000       2.49080000      21.85136000      -1.29469099       0.80935202      -1.23521211
O       -0.01574000       4.95139000      21.92534000       0.22944226      -0.70116046      -0.75358949
O        1.69069000       4.52416000       2.55579000       0.71843318       0.00070485       1.07982829
O       -1.49135000       4.45064000       2.67552000       0.79797680       0.93107421       0.27648751
O        0.28882000       1.90096000       2.55869000      -2.01563581      -0.72103559       1.46402569
O        1.30532000       0.89245000       5.18458000       3.20324012      -0.09579375      -0.60941883
O        4.63797000       0.92941000       5.02266000      -0.92537787       0.02617249       0.05912013
O        2.89693000       3.69482000       5.06712000       0.65144770      -0.85706655      -0.50940912
O        4.24046000       2.25089000      14.90393000       0.11167622       1.59241672      -1.08021112
O        1.41985000       2.50265000      14.95070000       0.54765933      -0.63813079      -0.83099576
O        2.64987000       0.10670000      14.88605000       1.68213187      -0.35649761      -0.50070308
O        1.44790000       4.23433000      24.25750000       0.16659431      -0.91711167      -0.32940266
O       -1.36361000       4.15359000      24.27494000       1.47392947       0.16123843      -0.25366700
O       -0.00162000       1.79648000      24.30668000       1.54340481      -1.58338448      -1.26016338
O        5.85941000       0.01095000      21.50115000       0.63213639       0.71849970       1.66430043
O        3.05013000       1.96269000       2.53415000       0.85959846       0.04254053      -1.40438627
O        0.10167000       3.45295000      12.15411000      -1.95616611      -1.03569273       0.96787432
O        5.81093000       0.02344000       7.31932000       0.47540668       1.03668971       0.09196877
O        2.93849000       1.47646000      17.03224000       0.44667995       1.74962421       0.05162471
O        0.13148000       3.40860000      26.24228000       0.15216440      -0.49846748       1.67448758
O        0.11446000       0.29696000       0.34033000       0.29485093      -0.62236992       2.48853846
O        2.82272000       1.67736000      10.11940000       0.87319204       0.10721488      -1.29240196
O        0.03529000       3.51913000      19.65161000      -1.09378881      -1.07630154      -1.04771536
O       -0.13388000       1.60185000      17.13807000       0.44381312      -1.15614739       0.04965157
O        1.54907000       4.16086000      17.03357000      -0.14401851       0.94809739       1.12353051
O       -1.65670000       4.31343000      17.14493000      -1.39728050      -0.14557536      -0.99069799
O        3.06012000       2.98348000      26.49759000      -0.83036159       2.27439607      -0.29420660
O        1.72329000       0.80172000      26.40649000      -1.03722309       0.84713020       0.98586987
O        4.59873000       0.96181000      26.49228000      -1.83534347      -1.42188754       0.16144029
O       -0.15066000       4.92838000       7.42405000       1.08776494       1.50205703      -0.44074293
O       -1.41118000       2.66967000       7.27550000      -0.16131491      -0.53759173       0.22600146
O        1.34374000       2.82589000       7.29945000      -0.51330118      -1.03609979       0.21456830
Zn      -2.76610000       4.87176000      27.17597000      -0.44214444       0.12348971      -1.28820359
Zn       2.80487000       1.77531000       7.94474000       0.76729379      -0.54839675       0.94635639
Zn      -0.17175000       3.39692000      17.73747000       1.06540294       0.26546363       0.05536466
Zn       3.04393000       4.94157000      23.44553000      -0.23288721       1.03856716       0.04726777
Zn       2.93183000       1.63521000       4.26040000       0.09432341       0.36860644       3.43020607
Zn      -0.24712000       3.44815000      14.11738000       0.66152870      -0.86529388       0.20808624
Zn       2.88140000       4.91655000      13.47055000      -0.10084596       0.87983157       0.16392312
Zn       3.02441000       1.64096000      22.90127000       0.39080353      -0.23846860      -0.16343649
Zn       0.10329000       3.60042000       3.65484000       0.27808247      -0.13234133      -0.13393334
Zn       2.81322000       5.09711000       9.40768000      -0.08474075       0.07441789      -0.64921498
Zn       2.60052000       1.78577000      18.84177000       1.98049968       0.74527076       1.38934969
Zn       0.14869000       3.36982000      28.23068000      -0.17540838      -0.13532405       0.36022566
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.97756326 magmom=70.0021785 free_energy=-549.97760479 stress="-0.03273027098836069 -0.012690816371947399 -0.001298207783709535 -0.012690816371947399 -0.048255112848542205 0.011311681773855031 -0.001298207783709535 0.011311681773855031 -0.04633847458898085" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30296000       0.85532000      16.12298000       2.79619243       0.83460526      -4.39792199
Cr       4.38125000       0.73632000      16.16388000      -1.15382082       0.76981650      -4.15008889
Cr       2.89525000       3.37470000      15.93690000       0.74516372      -0.80822916      -1.29299094
Cr      -1.45414000       2.53602000      25.34302000       1.08790232      -0.82076098      -0.28530231
Cr       1.60924000       2.53942000      25.25601000      -1.36393442      -2.49717329       1.54923065
Cr      -0.01978000       5.09241000      25.39588000       0.88492988      -0.47997192      -0.73986523
Cr       1.46136000       4.32255000       6.09828000       0.17571533      -0.18263924       1.01914767
Cr      -1.48688000       4.30398000       6.28103000       0.02661059       0.96662355      -0.64276798
Cr       0.01261000       1.88560000       6.21289000      -0.10037005      -3.00895198      -2.17181388
Cr       5.70405000       0.06031000      18.22649000       0.02748051      -3.17679563       3.02400274
Cr       3.05805000       1.54401000      27.69656000      -0.57625047       3.22374104       1.80643011
Cr      -0.15162000       3.35997000       8.59185000       2.22769243       0.87227407       0.39455029
Cr       0.11014000       0.05335000       3.79490000       2.19719617       1.95211811       1.89632384
Cr       2.99601000       1.61618000      13.57733000      -0.96993505      -0.16833509      -0.38136917
Cr       0.27052000       3.27155000      23.00271000      -3.54348444      -1.28411027      -0.94775078
Cr       0.03161000       1.69199000      20.55598000      -0.64995796       0.55177071       1.75431115
Cr       1.37775000       4.46095000      20.67021000       1.14056057      -3.21510578      -1.03292314
Cr      -1.47447000       4.20250000      20.75448000      -0.49519475      -0.67974203      -0.75570871
Cr       3.17902000       3.63090000       1.48291000       0.34463536      -3.33639697       0.48945782
Cr       1.61207000       1.19772000       1.48944000       1.08386019      -2.73032606       1.25291066
Cr       4.59307000       0.89666000       1.42398000       0.91195387       2.19234184       1.85904288
Cr       2.87889000       0.01595000      11.17199000       0.49994456      -1.01808034      -0.03475663
Cr       4.33383000       2.55097000      11.15378000       2.39453748      -1.20023058      -0.79790265
Cr       1.38926000       2.54383000      11.13825000       0.75888653      -0.19958393       0.17630219
O        1.32138000       0.67478000      19.61013000      -0.57529186      -0.29257240      -1.66458251
O        4.37747000       0.82599000      19.43760000       0.38538764       0.90680112       0.13483799
O        2.88081000       3.63903000      19.43827000      -0.19426345      -0.27427609       0.48869930
O        4.43337000       2.52655000       0.15556000      -0.00182560      -0.09557773       0.49573237
O        1.81270000       2.64249000       0.33970000      -0.23769940       1.15290514      -1.53111274
O        3.16314000       0.24979000       0.46957000      -1.52843327      -1.90800347      -1.72017929
O        1.11290000       4.09627000       9.86231000       2.42147515       1.21063263       0.85207986
O       -1.27090000       4.10255000       9.95907000      -2.97418944       1.06815422       0.17564061
O        0.01276000       1.84753000       9.92513000      -0.88971527       0.18028312       0.13044559
O        1.55733000       0.96893000      12.37670000       0.22820606      -0.71107783      -0.17120785
O        4.42017000       0.79210000      12.41633000      -1.23196379       0.24738581      -0.73466165
O        3.06247000       3.17407000      12.34492000      -1.92760955       1.21274481       0.97815554
O       -1.18521000       2.58813000      21.80552000      -1.28699706      -0.63313692       0.62950167
O        1.48832000       2.61691000      21.59363000       0.37519571      -0.45003504       1.17984042
O        0.04894000       4.81639000      22.00879000      -0.85354280       2.92805685      -1.33124863
O        1.73299000       4.48599000       2.72780000      -0.57052414      -0.97789258      -2.26555022
O       -1.32008000       4.56957000       2.47739000      -0.54259608      -0.28637406       1.71700554
O        0.19785000       1.78884000       2.64119000      -0.92778591      -0.55629846      -0.00733320
O        1.48105000       0.87094000       5.20678000      -0.78854928       0.09949315      -0.96454019
O        4.57409000       0.68751000       4.97046000       0.31685480       2.43368514      -0.33197817
O        3.08480000       3.65704000       5.03996000      -0.85541750      -1.31811141      -0.39974789
O        4.37145000       2.21143000      14.79336000      -0.16061693       1.47182244       1.70670467
O        1.53928000       2.46700000      14.92711000      -0.15942490      -0.59738627      -1.16373849
O        2.95570000       0.11798000      14.79798000      -0.75335964      -0.71299222       1.53558098
O        1.40976000       4.05261000      24.20635000       1.27541517       2.45933246       0.75448380
O       -1.28358000       4.23114000      24.34522000      -1.23759430      -1.25734361      -1.74884004
O        0.08568000       1.77480000      24.23846000      -0.26428066      -0.80797796       0.06216080
O        2.91705000       5.09123000      21.64475000       0.33794367       0.66672133      -0.25935483
O        3.20425000       1.96194000       2.37593000      -0.24924143      -1.10753775       1.42494119
O       -0.04118000       3.31947000      12.18430000      -0.39642718       1.03190408       0.09628111
O       -0.05416000       0.11384000       7.22951000       0.23409085      -0.26613891       0.79364616
O        2.90826000       1.67373000      16.95829000      -0.51024997       0.12630783       0.77119784
O        0.12904000       3.38443000      26.35685000      -0.49102882      -0.37691079      -1.62350260
O        0.27399000       0.04820000       0.58420000      -1.06629113       3.28226062      -3.73868701
O        2.86211000       1.70076000      10.08075000       0.31455535      -0.01015118      -0.21331606
O        0.01322000       3.38590000      19.66403000      -0.51807143       1.07784176      -1.23369432
O       -0.08271000       1.58544000      17.17840000      -0.29584628       0.45670776      -0.60671091
O        1.41108000       4.11330000      16.85583000       0.59590230       0.68903177       2.60815607
O       -1.75009000       4.38054000      17.12339000       0.24008807      -1.06763501       0.13314015
O        2.94507000       3.13975000      26.38026000       1.12113693       1.15348742       1.28843057
O        1.62944000       0.80208000      26.60778000       1.13884332       1.31497874      -1.74961319
O        4.24032000       0.79545000      26.46762000       2.84272863       0.20909330      -0.53427562
O       -0.00021000       5.07580000       7.29163000      -0.06362282      -1.51106359       0.77849795
O       -1.38336000       2.57292000       7.33617000      -0.78009015       0.95745060       0.00990599
O        1.33881000       2.75817000       7.21272000       0.09583156      -0.25625534       1.97881468
Zn      -2.75565000       5.00431000      27.20270000      -2.22278671      -1.01915358       0.45787901
Zn       2.87239000       1.74399000       8.01606000      -0.29711735       0.04339964       0.24607794
Zn      -0.19470000       3.36699000      17.66363000      -0.01807896       1.27664708       1.05048329
Zn       2.93671000       4.99516000      23.48547000       0.85051563       0.53767656       1.65184343
Zn       2.99925000       1.66658000       4.27531000       0.07564209       0.52533656       0.89058990
Zn      -0.17163000       3.38216000      14.12037000       0.94395132       0.03297287       0.04657993
Zn       2.85847000       4.88952000      13.59275000       0.13894593       0.69790630      -1.04189105
Zn       2.90936000       1.63531000      22.88427000       0.47982714       0.13879831      -0.40023043
Zn       0.02656000       3.55676000       3.54874000       0.28419270      -0.02866306       0.63263378
Zn       5.76255000       0.05483000       9.43490000      -0.01389960      -1.44290971      -0.98738473
Zn       2.63617000       1.72596000      18.85113000       1.43758897       1.18753137       0.79697747
Zn       0.15629000       3.34870000      28.18163000       0.29979967       0.63126633       2.33588835
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.66612317 magmom=72.001298 free_energy=-552.66612317 stress="-0.031088515150801032 -0.005988658057692213 -0.0030790099642926958 -0.005988658057692213 -0.030450269862032933 -0.0005494247254465991 -0.0030790099642926958 -0.0005494247254465991 -0.0367138860949231" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29055000       0.86222000      15.90878000       2.08778739      -1.04705588       0.27580351
Cr       4.33465000       0.76326000      16.11524000      -0.51173098       1.95863559      -1.47320389
Cr       2.95604000       3.38760000      15.87923000      -1.75748716       0.36674148      -0.28509338
Cr       4.44718000       2.48703000      25.36087000      -0.52304707      -0.85136095      -1.78590322
Cr       1.54161000       2.48942000      25.41665000       0.59369569       1.84377560      -2.95696785
Cr      -0.08745000       5.04256000      25.36284000       1.58048439       0.15052359      -1.33575564
Cr       1.42823000       4.24186000       6.09755000       2.41856203      -0.03695688       0.11074597
Cr      -1.40151000       4.30384000       6.24396000      -1.16014310       0.67455715      -0.85498789
Cr      -0.04195000       1.83076000       6.16096000       0.88182458      -1.59914264      -0.06919623
Cr       2.62748000       5.08912000      18.24019000       4.69995781       0.12097926       2.35532060
Cr       3.09548000       1.72591000      27.72589000      -0.18391688       0.10554796      -1.61036286
Cr      -0.07690000       3.41238000       8.67069000       0.51716288       0.94682260       0.14944253
Cr       0.14766000       0.03586000       3.80199000       0.15368427      -0.59352144       1.50488007
Cr       3.01990000       1.64555000      13.63011000       0.42407493      -1.60995569      -2.43750933
Cr       0.13809000       3.31149000      22.88782000      -1.09221983       1.23669271       3.57259792
Cr      -0.02066000       1.66427000      20.71856000      -0.47705965       1.10153164      -3.03533691
Cr       1.42987000       4.38912000      20.67976000      -0.12378244      -0.48518163      -2.06320094
Cr      -1.50211000       4.14879000      20.73376000      -0.87139606       2.05320503      -1.95191046
Cr       3.21085000       3.53721000       1.48435000       0.92289822      -0.26146120      -1.48308592
Cr       1.65053000       1.10656000       1.43290000       1.23190842      -0.66130602       0.43639856
Cr       4.73704000       0.86640000       1.40155000      -4.24496247       0.62011445      -0.40093096
Cr       2.91150000       0.00558000      11.17940000      -0.73038064       0.19064884       0.21860983
Cr       4.38676000       2.51872000      11.17999000      -0.90662669      -0.65486376      -0.47179270
Cr       1.40653000       2.59291000      11.13971000       0.85477618      -0.86331341       0.71576600
O        1.17140000       0.71809000      19.56037000       0.78667311      -0.12458657      -1.10134056
O        4.36506000       0.88015000      19.33817000       0.49167014      -0.54583844       2.36789268
O        2.89280000       3.60956000      19.48706000      -0.80806197      -0.34310494       0.69677824
O       -1.42357000       2.51767000       0.16390000       0.17491164       0.01748221       1.41786370
O        1.79965000       2.78589000       0.24822000       1.39499132      -1.69723467       1.04361099
O        3.10574000       0.12096000       0.22985000      -0.11182208       1.43024718       0.89869034
O        1.29787000       4.23202000       9.96659000      -0.98423244      -0.64425985       0.00926676
O       -1.46523000       4.13095000      10.03495000       0.51739213       0.83089838      -0.85362480
O       -0.00984000       1.96952000       9.93858000      -0.44445231      -1.32176347      -0.02332899
O        1.54156000       0.94885000      12.26687000       0.56082067      -0.38086866       0.72051043
O        4.39667000       0.80773000      12.45027000      -0.62304932       0.14572763      -0.69880767
O        2.89646000       3.12162000      12.33245000       0.21358632       1.23661189       0.71553981
O       -1.30321000       2.59206000      21.83861000      -1.08524701      -0.69833942       0.50827865
O        1.36558000       2.69027000      21.57126000       1.53139177      -0.98955840       1.48140174
O       -0.01491000       5.03476000      21.82101000      -0.14353971      -0.56793304       0.10479838
O        1.81724000       4.33918000       2.52555000      -0.54837174      -0.09752834       0.46801257
O       -1.33188000       4.64406000       2.58486000      -0.37636659      -1.41625965      -0.31233451
O       -0.03247000       1.56214000       2.72212000       2.34884348       2.57971135      -0.96777195
O        1.51065000       0.81558000       5.06666000      -1.07670653       0.27956244       0.22893992
O        4.62907000       0.78664000       4.93591000       0.20382375      -0.64209365       0.98063839
O        3.13302000       3.49175000       4.97447000      -0.69265814       1.72206029       0.85395083
O        4.36364000       2.43082000      14.94869000      -0.24521633      -0.24325070      -0.61013188
O        1.66952000       2.32508000      14.70661000      -2.12533763       1.88085178       0.78730411
O        3.11232000       0.07124000      14.92960000      -2.54316040      -0.88596272      -1.36991098
O        1.44098000       4.13391000      24.28722000      -1.77396474      -0.64706933      -0.65489774
O       -1.30401000       4.05732000      24.15208000      -0.18566497       0.12552838       0.10813433
O        0.16060000       1.69995000      24.19020000      -0.45037838       1.83352642       0.49355042
O        0.04282000       0.06025000      21.70431000      -0.89433975      -1.32655717       0.20853941
O        3.28889000       1.78733000       2.35828000      -1.36383431       0.39407372       0.69289160
O       -0.22279000       3.38395000      12.19583000       2.42944716       0.81590411       0.69478689
O        0.03353000       0.15382000       7.20360000      -0.37895939      -1.02139871       0.29289899
O        2.80923000       1.86166000      16.94589000      -0.15842307      -2.27720201       0.37094470
O        0.02338000       3.28959000      26.22196000      -0.25841625       0.65935716       2.40293253
O        0.27285000       0.21141000       0.40757000       0.73769514      -0.98225527       0.81202136
O        2.97315000       1.70509000      10.04279000      -0.72857785      -0.33224719       0.50133400
O       -0.13809000       3.38495000      19.55383000       0.88128625       0.16443348       1.36552826
O       -0.09332000       1.58926000      17.03392000       0.18697086      -0.62646573       0.19555866
O        1.40428000       4.26226000      17.12758000       0.17104182      -0.78440704      -1.68558667
O       -1.79762000       4.26695000      17.04036000       0.14770764       1.85458012       0.13064425
O        2.97543000       3.45906000      26.40095000       0.91659968      -3.19830023      -0.08438563
O        1.68646000       1.02858000      26.50852000      -0.30195364      -2.03460819       1.28584213
O        4.32814000       0.71050000      26.41056000      -0.33623519       1.99751686       0.58744787
O        0.13112000       4.93340000       7.27074000      -1.22782382       1.01351184       1.31917100
O       -1.38584000       2.68594000       7.34600000      -0.09987102      -0.27798717       0.17256691
O        1.25773000       2.64146000       7.39908000       0.70776933       0.31490691      -0.46155379
Zn      -2.84677000       5.10505000      27.22275000      -0.28199117       0.80756349      -1.57283416
Zn       2.92991000       1.70818000       8.10727000      -0.18074406      -0.02910650      -0.52127951
Zn      -0.21914000       3.39861000      17.64223000      -0.06380983      -0.03765261       0.65543407
Zn       2.87442000       5.07299000      23.60148000       1.02571904      -0.85295019       0.21652425
Zn       3.06832000       1.72428000       4.35152000      -0.32650745      -0.44550365      -0.41011857
Zn      -0.04170000       3.31493000      14.13084000       0.63535495       0.39573281       0.03027561
Zn       2.84185000       4.90179000      13.67842000       0.02243471       0.63438226      -1.64915976
Zn       2.82031000       1.63658000      22.86063000       0.49260404       0.24847579       0.14763420
Zn      -0.03080000       3.50790000       3.48108000       0.88240373      -0.26890076       0.73747966
Zn       5.76668000       0.05147000       9.41404000       1.21645133       0.35997464      -0.69724636
Zn       2.74779000       1.73225000      18.90766000      -1.03661457       0.30309755       0.42219001
Zn       0.16806000       3.36806000      28.22431000      -0.60532216       0.98981916      -0.57782192
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.052857 magmom=71.9996188 free_energy=-552.052857 stress="-0.05053892470330073 0.011887796958670989 0.007249477866054755 0.011887796958670989 -0.03314792441140582 -0.007823449367112373 0.007249477866054755 -0.007823449367112373 -0.04113482336740886" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37702000       0.81028000      15.72112000      -1.12399264      -0.00698366       1.91249278
Cr       4.30132000       0.85407000      16.04519000      -1.08427864      -0.73398371      -1.11561969
Cr       2.90146000       3.43895000      15.85680000      -2.47997287      -0.57586515       0.88668570
Cr       4.41046000       2.39702000      25.31712000       0.98405952       1.73433123      -2.94916655
Cr       1.51158000       2.52068000      25.45514000       0.05648634       0.70051664      -1.44675987
Cr      -0.07076000       5.01887000      25.29013000      -0.82452291       1.21174666       1.12409333
Cr       1.50881000       4.17260000       6.13943000      -0.28533671       0.37331624       1.81979841
Cr      -1.37569000       4.33877000       6.17619000       0.00594560      -0.75822899       1.26312817
Cr      -0.03608000       1.68839000       6.13475000       1.32878118       2.30771346       3.21584842
Cr       2.70432000       5.04415000      18.32568000       1.85475942       1.18419649      -2.03763026
Cr       3.12861000       1.90941000      27.68215000       0.73773663      -3.50271560      -0.00813954
Cr       0.03316000       3.50264000       8.75934000      -1.55389966      -0.82554665      -0.79354762
Cr       0.18605000       0.02048000       3.86660000      -2.53111846       0.08383884      -3.81340836
Cr       3.02598000       1.60308000      13.55063000      -1.81904764       0.86724583       0.26359465
Cr      -0.06057000       3.39213000      22.94112000       1.18110127      -0.07494792      -1.80046101
Cr      -0.08887000       1.68891000      20.72621000       0.71787580       0.28159682      -0.08762313
Cr       1.47930000       4.27798000      20.56487000      -4.18649923      -0.14385172       4.18461730
Cr      -1.57690000       4.20508000      20.61845000       0.43607802       1.20939666       1.59182686
Cr       3.28101000       3.39846000       1.42816000      -0.86351478       2.92324979       1.95971249
Cr       1.77753000       0.96000000       1.37576000      -2.37046464       0.11042721       1.86085110
Cr       4.65209000       0.88399000       1.37371000       0.40621592      -1.79866022       1.49646760
Cr       2.89811000       0.00190000      11.19243000      -0.49473483      -0.17310383      -1.03113607
Cr       4.41469000       2.47531000      11.17982000      -0.61812505       2.29203222       0.32900206
Cr       1.47001000       2.58137000      11.18741000      -0.61582697      -0.40366707       0.23593458
O        1.15885000       0.71223000      19.34589000       0.79849659       0.46125240       1.55824222
O        4.46256000       0.84866000      19.62663000      -0.64618513       0.02010524      -1.67963149
O        2.82818000       3.52214000      19.60887000       1.13089280      -0.72196064      -2.30914103
O       -1.34967000       2.49367000       0.38018000       0.71815411       0.52980877      -1.92200093
O        1.96418000       2.66679000       0.30154000      -2.46158028      -0.09109440      -0.66572953
O        3.03107000       0.23498000       0.13826000       1.75057205      -0.29206420       0.52730191
O        1.31185000       4.24049000      10.09137000       0.27532008      -0.39668671      -1.13127623
O       -1.52136000       4.24840000      10.01787000       1.88278143      -1.01975869       0.07843368
O       -0.10674000       1.92990000       9.96131000       0.91158095      -0.29476195       0.05707288
O        1.67572000       0.90433000      12.27863000      -1.74127124       0.52165255       1.38803115
O        4.22167000       0.88115000      12.32323000       2.50023912      -0.38031272       0.19059563
O        2.76260000       3.24983000      12.45318000       1.93934812       0.21587480      -0.07676582
O        4.38281000       2.53616000      21.90930000       1.16031120       0.42830164      -1.15733235
O        1.37794000       2.63237000      21.80499000      -0.77558541       0.09787227      -0.57657800
O        2.83170000       0.00421000      21.61775000       0.26662413      -1.39440001       1.17227051
O        1.82359000       4.22526000       2.33243000      -0.80405249       1.24421926       1.90085517
O       -1.45791000       4.48109000       2.63452000       1.26885964      -0.61241630      -0.82651914
O        0.12853000       1.62709000       2.59747000       0.37177831      -0.15111408       0.11107846
O        1.35845000       0.82051000       5.03221000       2.36838076       1.40520856       0.93210610
O        4.70301000       0.75205000       5.05757000      -2.48159378      -0.57492287      -1.14402849
O        3.03494000       3.61857000       5.07559000       0.29960191      -1.48331866      -0.43562658
O        4.26903000       2.53732000      14.98335000       1.03992872      -1.11180421      -1.89527320
O        1.55906000       2.40281000      14.62801000       2.29911215      -0.78578320       1.50783498
O       -0.07816000       5.08620000      14.89187000       1.01885079       0.85774900      -1.08663870
O        1.19610000       4.13861000      24.25714000       2.52390577       0.23754745      -0.60088176
O       -1.41890000       3.91179000      24.04424000      -1.81438076       2.75090171       2.57213262
O        0.12688000       1.91895000      24.23945000      -0.66059415      -2.38986293      -0.22106265
O        2.89315000       5.07183000      21.65912000      -0.03175374       0.37401870       1.01141507
O        3.15193000       1.68357000       2.45176000       1.12295982       0.63589069       0.60315830
O       -0.01545000       3.52094000      12.21166000      -0.50596001      -2.21926362       0.22811980
O        0.05812000       0.01416000       7.19518000      -0.52944166      -0.02575776       0.72196095
O        2.71413000       1.68182000      16.91545000       0.98609224       0.46392430       0.41181604
O       -0.10022000       3.30782000      26.35790000       1.02783791       0.44994618       0.23036632
O        0.33217000       0.30476000       0.38186000      -1.23493999      -2.05757718      -0.53393565
O        2.95390000       1.66605000      10.14464000      -0.28075853       0.65101644      -0.77268445
O       -0.13058000       3.41727000      19.67728000       0.84602786      -0.84956747      -1.55299048
O       -0.06404000       1.47184000      16.91304000      -0.37501683       1.19919302       1.56182134
O        1.42274000       4.25252000      17.08363000       0.21556662       0.25526691      -0.59178585
O       -1.80831000       4.42896000      16.94864000       0.51238917      -1.14650829       1.21097730
O        3.15227000       3.27609000      26.40832000      -2.01828753       1.95881639      -0.04341810
O        1.72206000       0.93183000      26.52689000      -0.34371273       0.30700726      -0.22469566
O        4.38573000       0.95342000      26.42815000      -1.06771247      -2.24287469       0.45071645
O        0.07887000       4.89671000       7.39427000       0.35371840       1.59424052      -0.54847380
O       -1.34388000       2.78511000       7.34130000      -0.05478900      -1.48935826       0.18919345
O        1.26796000       2.60920000       7.48735000       0.96565511      -0.07260577      -1.03729170
Zn      -0.00678000       0.10761000      27.15991000       1.07996431      -0.58415143      -0.47930545
Zn       2.97477000       1.67446000       8.17330000       0.01447085       0.50349018      -0.58886459
Zn      -0.24792000       3.43624000      17.65963000       0.17927511      -0.60355833       0.03987636
Zn       5.81444000       0.00498000      23.74154000       0.23604620      -0.32762744      -1.00328862
Zn       3.12155000       1.76813000       4.41004000      -0.46059809      -0.29285497       0.06314108
Zn       0.10954000       3.27760000      14.14115000      -2.62154321       1.32239246      -0.73248764
Zn       2.82927000       4.94498000      13.68761000       0.01405066       0.10596742      -1.81100251
Zn       2.75989000       1.64931000      22.85155000       0.55894897      -0.13224934      -0.19196176
Zn      -0.03894000       3.44654000       3.46079000       1.31038599      -0.30661050       0.47036085
Zn       5.81919000       0.06048000       9.34858000       0.01610250       0.08816606      -0.56440550
Zn       2.81807000       1.74927000      18.98306000      -0.50480688      -1.29787925      -0.52847472
Zn       0.16269000       3.43431000      28.26301000       0.59262890       0.38682214       0.68411241
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.42313959 magmom=72.0011716 free_energy=-553.42339371 stress="-0.03644508502492312 0.0043436673146092135 -0.0018255479277556564 0.0043436673146092135 -0.03153236479931539 -0.003880841662073016 -0.0018255479277556564 -0.003880841662073016 -0.030640005716403476" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38403000       0.74975000      15.69013000      -1.32813097       0.38859405       2.76535668
Cr       4.26265000       0.89796000      15.96831000       1.38999495      -0.89354725      -1.73017482
Cr       2.74521000       3.46538000      15.90920000       3.59560374      -1.50488463      -0.36213644
Cr       4.37132000       2.39321000      25.19560000      -0.83791608       2.11675660       1.41902897
Cr       1.50164000       2.59802000      25.41893000      -1.04429777      -0.55074206      -0.79850540
Cr      -0.07616000       5.06595000      25.28704000      -0.38854560      -0.14351275       0.88167112
Cr       1.56984000       4.13545000       6.27918000      -1.46262661       1.34263068      -0.87286578
Cr      -1.35540000       4.32529000       6.19277000       0.08448836      -0.42388658       0.44472514
Cr       0.02932000       1.66325000       6.27774000      -0.28325519       0.43992852      -0.37245121
Cr       2.86212000       5.07751000      18.36175000      -1.05589929       1.27635851      -3.37919345
Cr       3.16420000       1.91232000      27.64263000      -0.87305270      -1.47528353       1.19617188
Cr       0.05712000       3.53048000       8.77111000      -0.47908029      -2.31634904      -2.12307096
Cr       0.10431000       0.01578000       3.74487000       0.29217013       0.78366708       1.51019855
Cr       2.96601000       1.60543000      13.46517000       1.59059230       1.48358502       1.17783028
Cr      -0.20556000       3.46902000      22.94789000       0.72748095      -1.05130716       0.80495770
Cr      -0.11597000       1.71761000      20.70013000       0.34670057      -1.14229383       0.63516630
Cr       1.36987000       4.18922000      20.58479000       0.46542004       0.09754925       2.03619838
Cr      -1.63223000       4.32246000      20.56488000       1.00095390      -2.43956704       1.74965181
Cr       3.27190000       3.39026000       1.41957000      -2.62778321       0.24986996       0.23530982
Cr       1.78148000       0.83265000       1.39321000      -1.89395429       1.07277958       0.88322633
Cr       4.58367000       0.82332000       1.40765000       3.10161465       1.19981225       1.53490783
Cr      -0.08647000       5.10473000      11.18305000       1.79756617       0.07316865       0.93909858
Cr       4.41255000       2.54618000      11.18842000       0.63556767       0.62012586       0.10622299
Cr       1.50577000       2.54718000      11.25616000      -0.57012148       0.26264164      -0.80849221
O        1.27470000       0.77432000      19.45076000      -0.87721323       0.12703327       0.76526708
O        4.46249000       0.78684000      19.64668000      -0.16696039      -0.58383536      -1.53677885
O        2.90530000       3.44946000      19.45143000      -0.62311199       1.91423224       0.53838228
O       -1.21983000       2.51717000       0.34426000      -2.26354872      -0.52756246      -0.60170014
O        1.78271000       2.51696000       0.28160000       1.05491082       0.28126943      -0.01582450
O        3.24833000       0.32436000       0.20908000      -0.90238420      -1.40659199      -0.78158640
O        1.29385000       4.14328000      10.05122000       1.70758348       1.23742380      -0.04278272
O       -1.23953000       4.18504000      10.00473000      -2.71689191       0.42205367      -0.46772839
O       -0.05571000       1.88418000      10.01819000       0.69249339      -0.22099128      -0.56178062
O        1.57991000       0.93323000      12.43223000      -1.13453289      -0.79073299      -1.42963673
O        4.35283000       0.92367000      12.22056000      -0.37145597      -0.84356456       1.00197889
O        2.95602000       3.33212000      12.49264000      -0.00283815      -0.54414941      -1.28691609
O       -1.46580000       2.60235000      21.75424000      -1.18986155       0.22689532       0.33715423
O        1.20453000       2.61441000      21.91304000       0.52645542      -0.29278650      -1.00233709
O       -0.16151000       4.87030000      21.65295000       0.37281002       2.03380926       0.93445651
O        1.75542000       4.36000000       2.51000000      -0.02375557      -0.91906000       0.30862872
O       -1.43291000       4.27780000       2.54289000       0.92434518       1.18213694       0.83962410
O        0.36028000       1.62431000       2.49421000      -1.40771193      -0.80835829       0.81388495
O        1.47646000       0.96515000       5.14434000      -0.84765863      -1.61478350      -0.57326325
O        4.50463000       0.61539000       5.07196000       1.86697425       0.54700310      -0.06662626
O        3.01105000       3.61067000       5.10720000       0.87824122      -0.08471078      -0.88523711
O        4.28920000       2.42023000      14.71021000       0.36763832       0.61441019       1.13035267
O        1.73905000       2.39922000      14.81097000      -2.60587217       0.16887362      -2.07135958
O        2.79160000       0.05145000      14.62991000       1.34023927      -0.50657060       0.74276720
O        1.25455000       4.15512000      24.15016000      -0.49432672      -0.14781551       0.60867966
O       -1.61222000       4.16639000      24.34462000       2.96972788      -0.88761606      -0.95876272
O       -0.00729000       1.85505000      24.25266000       0.70934092       0.30693509      -0.47941823
O        2.77957000       5.02052000      21.70790000       0.74967015       0.69690789      -0.16808202
O        3.17715000       1.72039000       2.52075000       0.26189583      -0.09864800      -0.95345003
O        0.10182000       3.33779000      12.19296000      -1.78847112       0.98783436       0.65462678
O        2.96369000       5.00012000       7.28056000       0.81181812       0.91668881       0.68193987
O        2.79511000       1.56095000      16.89077000      -0.55101885       1.31335969       1.26360046
O       -0.02174000       3.41603000      26.42679000       0.09757079      -0.50806376      -1.53117532
O        0.21511000       0.02857000       0.43954000       0.18608191      -0.46120415      -1.45677842
O        2.89488000       1.72797000      10.17920000       0.59382731      -0.26896343      -0.82735689
O       -0.02116000       3.32611000      19.60055000      -1.19340376       0.44300287      -0.70535859
O       -0.09376000       1.51806000      17.02990000      -0.39754455      -0.03575765       0.05960038
O        1.38414000       4.24580000      16.85255000      -0.69482646       1.11588341       2.41468762
O       -1.76940000       4.43317000      17.01947000      -0.26476206      -1.20407318      -0.02332919
O        3.02339000       3.35938000      26.34244000      -0.41908340      -0.34692929       0.38529680
O        1.71903000       0.84210000      26.53392000      -0.57702058       2.01601662      -0.28610952
O        4.22614000       0.86207000      26.40240000       0.82408489       0.20214695      -1.07483390
O        0.05267000       5.04615000       7.41906000       0.41513172      -1.33985098      -0.10511619
O       -1.27172000       2.65642000       7.34311000      -0.37421135       0.31018999       0.67492343
O        1.39607000       2.61080000       7.38492000      -0.26254945      -0.56013414       1.26948461
Zn      -0.05899000       0.18216000      27.05746000       1.31689348      -0.83694604       0.96619415
Zn       3.01737000       1.67272000       8.20127000       0.07296103       1.01628753      -0.39183004
Zn      -0.26047000       3.43893000      17.67828000       0.68104374      -0.68750237      -0.64880875
Zn       5.80915000       0.02982000      23.82209000      -1.09709834       0.22384561      -1.96701964
Zn       3.14437000       1.79062000       4.46780000      -0.58603610      -0.15908288       0.15152310
Zn       0.14413000       3.29382000      14.12676000      -1.03612095      -0.22978124       0.02793399
Zn       2.82041000       4.99675000      13.61781000       0.19068293       0.35111804      -1.29084694
Zn       2.73614000       1.65810000      22.84513000       0.47507378       0.13929900      -0.35621914
Zn       0.02526000       3.37149000       3.47748000       1.05687800      -0.23144177       0.73380753
Zn      -0.01729000       0.07524000       9.25604000       0.02421930      -0.45501851       0.68989518
Zn       2.85541000       1.68765000      19.02021000       0.46944662      -1.21712556      -1.54714990
Zn       0.19390000       3.52022000      28.33151000       1.04874127       0.55890177       0.22768086
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.30148076 magmom=72.0035391 free_energy=-552.30148076 stress="-0.028323072600660935 -0.001035940337945543 -0.010345017081652325 -0.001035940337945543 -0.04895255541853929 0.010466786009913546 -0.010345017081652325 0.010466786009913546 -0.03699715834100879" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30458000       0.71953000      15.84155000       1.25505068       1.26225230      -0.52693515
Cr       4.30340000       0.88241000      15.84042000       0.02651988      -0.63819317       0.19004832
Cr       2.74040000       3.41771000      15.98259000       0.25307953      -1.39363791      -1.37801762
Cr       4.27385000       2.51297000      25.18867000       0.45242547       0.62363430       1.39222082
Cr       1.45562000       2.62812000      25.35270000      -0.35017693      -0.40442273      -2.63620553
Cr       2.84653000       0.02091000      25.34988000       1.08031394       0.11870672      -0.52930872
Cr       1.55722000       4.17821000       6.37664000       1.00316942       0.27280254      -2.37249592
Cr      -1.33035000       4.27745000       6.24644000      -0.45497604      -0.56182756      -0.41110660
Cr       0.09510000       1.67862000       6.41070000      -0.09712624      -1.18021339      -2.49361916
Cr       0.00328000       0.05190000      18.28705000      -2.30985943       0.08651456       0.04022005
Cr       3.13247000       1.82358000      27.65919000      -1.21610616      -0.77521028      -1.28335972
Cr       0.04920000       3.42692000       8.68953000       1.07698821      -0.43472562       2.60625456
Cr       0.05115000       0.04670000       3.72228000       2.90934438      -1.78708305       5.12450418
Cr       2.96792000       1.68737000      13.43731000       0.01889420      -0.49042314       0.29714738
Cr      -0.28908000       3.46642000      22.98716000       1.71475144      -1.03384161      -0.09729931
Cr      -0.14486000       1.67673000      20.68613000      -1.99320278       0.06490698      -0.61462642
Cr       1.28657000       4.14041000      20.68910000       1.60073739       1.61737447      -1.49820916
Cr      -1.65495000       4.32276000      20.58118000       1.34413073      -1.38570426       1.11858452
Cr       3.12100000       3.37716000       1.40255000       0.31595514      -1.18335787       1.10857241
Cr       1.68260000       0.78007000       1.44905000       1.80546736      -0.16384689      -1.40158553
Cr       4.67670000       0.80903000       1.49763000      -0.49561233       0.91771600      -2.32832980
Cr      -0.03055000       5.09451000      11.20420000       0.86123494       0.21711673      -0.83756591
Cr      -1.45161000       2.63262000      11.18443000       0.34496179      -2.69357356      -2.30458747
Cr       1.49539000       2.53464000      11.27236000      -0.15135276       0.76711997      -2.16119705
O        1.27022000       0.89189000      19.68814000       0.15955548      -0.35722804      -2.20709920
O        4.44227000       0.62273000      19.40747000       0.47969697       0.44854581       1.53114993
O        2.88678000       3.62494000      19.39370000      -0.58646447      -1.75024225       0.84034668
O       -1.42743000       2.47926000       0.20164000       1.48718568       0.64123023       0.94598298
O        1.73730000       2.39047000       0.28977000      -0.05372322       0.53342184       0.45551143
O        3.36387000       0.20960000       0.22417000      -1.84857793       1.79085149       0.66753455
O        1.47866000       4.20874000       9.97728000      -1.54666252      -0.26134783       0.31453448
O       -1.29871000       4.17931000       9.93687000       0.07819785       0.35823947      -0.08256692
O        0.11836000       1.87685000      10.00611000      -0.75796656       0.29256148      -0.60072540
O        1.41178000       0.89819000      12.34428000       1.59429559      -0.18563509      -0.06902281
O        4.38664000       0.87687000      12.28071000      -0.91095636       0.00034392       0.04340714
O        3.11546000       3.25365000      12.29731000      -2.44806563       1.24706485       1.29143863
O       -1.52231000       2.72583000      21.63030000      -1.35410014      -1.42054665       1.58048751
O        1.05226000       2.59984000      21.81797000       1.60180792      -0.22939678       1.03780497
O       -0.15301000       4.93052000      21.80783000      -0.20685210       1.60712217      -0.49045724
O        1.68522000       4.37971000       2.70175000      -0.44039400      -1.52772158      -1.91607973
O       -1.34274000       4.28946000       2.54401000      -0.78272609      -0.25582225       0.14203505
O        0.31078000       1.46099000       2.54364000      -0.95887572       2.31861354      -0.15605474
O        1.44058000       0.81177000       5.19546000       0.41907209       0.38595473      -0.85922807
O        4.64075000       0.58200000       5.08706000      -0.38095635       1.71775195       0.45805059
O        3.14461000       3.62174000       5.02469000      -0.64719009      -0.30485817       0.67551016
O        4.33043000       2.37679000      14.63889000      -0.20147031       1.43266490       1.05086225
O        1.61358000       2.37754000      14.72828000      -0.28269192      -0.01826241       0.61043700
O        2.96255000       0.11294000      14.53512000      -0.86008667      -0.55087822       2.07955156
O        1.23655000       4.12447000      24.15032000      -0.35126742       1.02623488      -0.38608830
O       -1.38771000       4.27880000      24.42036000      -3.31463550      -0.68176881      -2.89728369
O       -0.07305000       1.88571000      24.21078000      -0.16780066      -0.16400339      -0.06515508
O        2.81124000       5.09575000      21.67319000      -0.48676677      -0.40188905       0.94653362
O        3.25396000       1.73914000       2.40101000      -1.17762154      -0.82630925       1.61704410
O       -0.05533000       3.31213000      12.19878000       1.50504625       1.70227411       0.29659724
O       -2.86439000       5.03875000       7.36519000       0.30652051       0.08014199      -1.32661295
O        2.85533000       1.66803000      16.95232000      -0.80115087      -0.03714380      -0.49097387
O        0.06527000       3.43600000      26.21721000      -2.23167849      -0.12330703       3.14939863
O        3.03491000       4.83398000       0.27923000       0.76548852       3.15743700       0.39558060
O        2.94571000       1.74662000      10.13565000       0.23482013      -0.67543732       0.26523246
O       -0.09457000       3.30270000      19.51550000      -0.41060389       0.79638696       1.53731091
O       -0.20050000       1.53847000      17.07561000       1.26209014       0.08712418      -1.48227217
O        1.35029000       4.41438000      16.94715000       1.02770223      -1.00860434       0.53528454
O       -1.79594000       4.25859000      17.03296000       0.46115012       0.87161803      -0.71489132
O        2.81700000       3.46432000      26.31329000       2.07524668      -1.34525600       1.06129973
O        1.64992000       1.11642000      26.46743000      -0.29996312      -1.46295974       1.07401918
O        4.22736000       0.79155000      26.25384000       1.34880566       2.89561276       1.29100008
O        0.10271000       4.91895000       7.39945000      -0.03267901       0.80890391       0.42642217
O       -1.23646000       2.58844000       7.44443000      -0.77607824       0.46648492      -0.19383039
O        1.44053000       2.56844000       7.45005000       0.08539975       0.13935184       0.54098411
Zn      -0.04024000       0.21281000      26.99555000       0.93503914      -0.49527588       0.34500642
Zn       3.06407000       1.71728000       8.20379000      -0.12065865      -0.29277091       0.14492928
Zn      -0.23453000       3.40441000      17.66411000       1.14392546      -0.21720284      -0.54200761
Zn       5.76563000       0.04938000      23.80631000       0.10673723      -0.63909455      -1.35874238
Zn       3.13708000       1.79220000       4.52976000      -0.23514646      -1.05855372      -0.23823061
Zn       0.10272000       3.31110000      14.11164000      -1.10690720       0.36351930       0.06697647
Zn       2.82393000       5.06562000      13.49075000       0.46487785       0.12192681      -0.84248099
Zn       2.74151000       1.67130000      22.83610000       0.20192341       0.25104035      -0.45555358
Zn       0.14544000       3.28624000       3.53811000      -0.08175854       0.54547522       0.66571228
Zn       0.04978000       0.06775000       9.20818000       0.06605862      -0.00005155       2.34436892
Zn       2.90655000       1.57093000      18.98017000      -0.18552835       1.43564077      -0.61480250
Zn       0.26793000       3.61303000      28.40659000      -0.75725032      -3.05405547      -1.44128925
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.45146177 magmom=71.998639 free_energy=-552.45146177 stress="-0.03458417542151668 0.004075530703187752 -0.003273747239789957 0.004075530703187752 -0.04303043090566111 0.01065184528874134 -0.003273747239789957 0.01065184528874134 -0.03474451972854553" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.28101000       0.75835000      16.01813000       3.51996939       0.82000953      -4.92623408
Cr       4.38111000       0.81591000      15.73479000       0.15419611       0.15533167       1.65446188
Cr       2.76514000       3.32070000      16.00548000      -0.56217779       1.44517535      -2.71719762
Cr       4.17831000       2.68937000      25.32035000       3.08449546       1.20999966      -3.04677472
Cr       1.38598000       2.63933000      25.19131000      -0.48624440       0.02572160       1.67623629
Cr       2.86049000       0.09714000      25.40484000      -0.58031070      -0.49045539      -1.39016959
Cr       1.58669000       4.25204000       6.33152000       0.59989148      -0.91567912      -0.72520276
Cr      -1.31318000       4.19367000       6.27781000       1.11493507      -0.19022445      -0.05514716
Cr       0.16707000       1.65441000       6.40046000       0.08393820       1.40182369      -1.46589209
Cr       0.00068000       0.13218000      18.21867000      -1.28711471      -2.75377756       1.56405979
Cr       3.03363000       1.71612000      27.61001000       0.41025090       1.91597444       2.21989983
Cr       0.09721000       3.30333000       8.73623000      -0.20922347       3.62801703      -0.55510989
Cr      -2.79997000       5.10372000       3.95668000      -0.33730743      -0.34237895      -3.89763086
Cr       2.97258000       1.75662000      13.45320000      -2.12555129      -0.90699555       1.62966602
Cr      -0.26896000       3.39903000      22.99794000       0.23325004       1.27842334      -2.68851851
Cr      -0.27205000       1.62179000      20.63056000       0.73066064       1.68603513       1.69846342
Cr       1.29661000       4.18482000      20.73263000       0.45090259       0.06824805      -0.22526274
Cr      -1.64913000       4.24750000      20.63275000      -1.54872834       1.56110244       1.50752548
Cr       2.97886000       3.28364000       1.40044000       2.66136356       1.58272757       1.52012822
Cr       1.66076000       0.73625000       1.44344000      -1.03975155       0.15285809       1.32657890
Cr       4.73404000       0.86208000       1.46725000      -3.42006722       0.16447443      -0.96787878
Cr       0.08589000       5.10495000      11.17201000      -1.58886559       0.79161302      -1.97431842
Cr      -1.40493000       2.59486000      11.08205000      -1.11156543      -0.18719071       0.91880449
Cr       1.47706000       2.56097000      11.16015000       1.14715075       0.30213657      -0.28171604
O        1.24035000       0.93684000      19.55998000      -0.38073392      -1.26227499      -0.78513008
O        4.50674000       0.53334000      19.43567000      -1.16213950       2.12675560       0.16330520
O        2.75430000       3.51935000      19.51218000       1.08084484      -0.04219171      -0.62644460
O        4.43746000       2.51358000       0.22541000       0.35140780      -0.28470492       0.40115988
O        1.71835000       2.35298000       0.35705000      -0.98425239       0.67378827      -1.34714386
O        3.11812000       0.33072000       0.31911000       1.22553865      -2.49483743      -1.00081427
O        1.38429000       4.23062000       9.97072000       0.86088647      -0.29725721      -0.26466773
O       -1.32952000       4.17659000       9.89589000       0.87018100      -0.45160336       0.34348365
O        0.15548000       1.92235000       9.92411000      -1.47162488      -2.50066407       1.29494043
O        1.58522000       0.87908000      12.17492000      -0.52641564       0.36679923       1.31507184
O        4.21605000       0.87277000      12.34749000       2.65793181       0.92506930      -0.21779942
O        2.92058000       3.26732000      12.21989000       0.92105364       0.74637825       0.65349140
O        4.14600000       2.65033000      21.78526000       1.88122573      -0.22716437      -0.16410190
O        1.09645000       2.57331000      21.81293000      -0.38959345       0.04027844       0.39418334
O        2.78577000       0.07830000      21.82124000      -0.07761271      -2.71521894      -0.81088710
O        1.66973000       4.19492000       2.56392000       0.60847705       0.93445969       0.67854819
O       -1.45580000       4.31047000       2.58768000      -0.52672227      -0.80928975       0.77065983
O        0.11007000       1.54824000       2.63921000       1.49637310      -0.37587612       0.86720934
O        1.45499000       0.67903000       5.14778000       1.70661155       1.65947474       0.58240835
O        4.77877000       0.82515000       5.22169000      -1.56171321      -0.42265024      -0.17290036
O        3.16474000       3.59991000       5.11075000      -1.13062164      -1.57231399       0.82082323
O        4.25689000       2.53426000      14.78442000      -0.87071903      -0.10755462      -0.43971840
O        1.44279000       2.28395000      14.70159000       0.92420349       0.76634599       0.68898255
O        2.94968000       0.13794000      14.82213000      -1.83733641      -0.90476034      -1.47518085
O        1.08509000       4.24819000      24.15045000       0.81991252       0.55750969       0.31752311
O       -1.55675000       4.27766000      24.08608000       0.52603116       0.36743278       2.52919241
O       -0.17512000       1.95393000      24.19521000      -0.12981358      -1.20812754       0.52307841
O        5.73788000       0.00681000      21.69563000      -0.41726665      -0.37430020       0.06194952
O        3.13135000       1.60503000       2.48091000      -0.07250146       0.41654620       1.01015424
O       -0.02941000       3.55663000      12.15864000       0.36242854      -2.78755406       0.69500415
O       -2.73886000       5.09120000       7.23518000      -0.80572576      -0.90644390       2.34211787
O        2.78470000       1.74564000      16.90364000       0.40124730      -2.31409626       1.50115880
O       -0.15629000       3.44138000      26.40057000       0.70576985       1.04380014      -0.46851352
O       -2.85483000       5.03799000       0.28460000       0.39786945      -0.05867805       0.82839098
O        3.05344000       1.64748000      10.16057000      -0.39784050       0.95030047      -1.16360742
O       -0.25312000       3.42441000      19.71796000       1.13474327      -0.98783575      -2.31048037
O       -0.13734000       1.56910000      16.84530000      -0.34179305       1.00312534       2.07864318
O        1.51143000       4.44396000      17.11682000      -0.34664720      -1.00662197      -1.18381818
O       -1.73706000       4.21720000      16.91822000       0.46399562       0.22721817       1.77463587
O        2.88357000       3.30846000      26.43270000      -1.96341737       1.68008847       0.48474434
O        1.53747000       1.18586000      26.49739000       1.00007475      -1.15776237      -1.25989540
O        4.39834000       1.17125000      26.27377000      -1.51597592      -3.46631290       1.36295433
O        0.15158000       4.82145000       7.43260000      -0.38661229       1.58572678       0.35824657
O       -1.25755000       2.62289000       7.49116000       0.39615862      -0.77916595      -0.75699727
O        1.43902000       2.55708000       7.58017000       1.06701867       0.19900122      -1.20951384
Zn       0.03150000       0.20892000      26.95657000      -0.60360006      -1.18365675       0.94611459
Zn       3.10681000       1.75399000       8.21050000      -0.42243850      -0.96172204       0.05013986
Zn      -0.14479000       3.35429000      17.62579000       0.71870811       0.63194294       0.86586048
Zn       5.71576000       0.04097000      23.70551000      -0.84321116       0.75123091      -1.18720901
Zn       3.11453000       1.73835000       4.57597000      -0.11681979      -0.62686542      -1.12115296
Zn      -0.00525000       3.35393000      14.10232000      -0.35304494       0.86034545       0.15374778
Zn       5.80505000       0.03675000      13.32073000       0.53147923      -0.28288477      -0.11835118
Zn       2.75885000       1.70568000      22.82001000      -0.49529588       0.48127583       0.31689946
Zn       0.27192000       3.22255000       3.64550000      -0.55192529       1.06642556      -0.06229420
Zn       0.11654000       0.05573000       9.26492000      -0.62231134      -0.38461875       0.31684567
Zn       2.95663000       1.52039000      18.89889000      -0.40034119       1.34076412       0.24481762
Zn       0.31151000       3.57901000      28.41867000      -1.29820152      -0.85004476      -0.38863561
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.88530869 magmom=71.9986856 free_energy=-551.88530869 stress="-0.05337746504957614 0.0063045651265066826 0.0018525771387913142 0.0063045651265066826 -0.02878541584071528 -0.018140497541081085 0.0018525771387913142 -0.018140497541081085 -0.03844348508795817" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38339000       0.80813000      16.03423000      -0.56901026      -0.85813723      -2.30909847
Cr       4.45382000       0.74390000      15.73806000      -1.86530429       0.94138009       0.55147023
Cr       2.76315000       3.29945000      15.93256000       0.83516840       0.78443719       1.18456807
Cr       4.21066000       2.87355000      25.39852000       0.21630745      -2.39671592      -0.06235154
Cr       1.29931000       2.65240000      25.12362000       0.49910300       0.54745484       2.07166392
Cr       2.86630000       0.17449000      25.43849000       0.52134187      -1.50174774      -2.87881988
Cr       1.63645000       4.28203000       6.25993000      -1.12186288       0.13830588       2.31855387
Cr      -1.24558000       4.11031000       6.30942000      -0.50252640       1.82706320       0.09312976
Cr       0.24677000       1.68941000       6.31112000       0.41871925      -0.16087241       0.77238932
Cr      -0.03307000       0.06196000      18.18712000      -1.88676154      -1.91248885       0.98845300
Cr       2.95998000       1.69255000      27.61137000      -0.36408917       1.97630066       2.90069814
Cr       0.14724000       3.34926000       8.76417000      -0.38022131      -0.05384938      -2.86365108
Cr      -2.69844000       5.01662000       4.01802000      -2.54767472       0.95119939      -1.41825841
Cr       2.87252000       1.76795000      13.54287000      -0.11176268      -0.69236963      -1.10191573
Cr      -0.23235000       3.39961000      22.88734000      -0.70089277       1.67833829       3.57963091
Cr      -0.34184000       1.65804000      20.63569000       2.93836878       1.53617239       0.44055084
Cr       1.32618000       4.22719000      20.73005000      -1.82962329      -1.76084597      -2.42253221
Cr      -1.72109000       4.24348000      20.70931000       0.65492609       0.05787443      -1.81271213
Cr       2.98540000       3.25300000       1.45768000       1.02694594       1.49510425       1.06029371
Cr       1.60415000       0.70394000       1.51201000      -0.22123685       1.09155945       1.74895391
Cr       4.60536000       0.92972000       1.39009000      -0.55054635      -1.79483116       3.16252591
Cr       3.07585000       0.03928000      11.06999000      -0.66130557      -0.78193745       1.58458825
Cr      -1.42212000       2.53453000      11.03224000      -0.08312263       1.18491803       3.18207223
Cr       1.52453000       2.59263000      11.04001000       0.28909076      -1.18576517       1.85747784
O        1.18061000       0.77173000      19.34751000       0.61721226       0.62604916       2.59925225
O        4.41372000       0.71834000      19.52829000       0.55869123      -1.35896062      -0.75842980
O        2.77740000       3.44324000      19.58394000       0.02996301       0.69871374      -0.70692328
O       -1.43464000       2.49817000       0.36786000      -0.85854335       0.36632988      -1.30602582
O        1.63292000       2.39461000       0.28226000       1.47720358      -1.04105747       0.72829983
O        3.03590000       0.17673000       0.27661000       0.75720995       0.54602741      -0.04267325
O        1.38426000       4.17587000       9.94165000       1.57474462       0.64320680      -0.08886127
O       -1.18358000       4.09209000       9.93706000      -1.05887582       1.44945418      -0.22069097
O       -0.04259000       1.72190000      10.01689000       1.41608109       1.31349136      -0.52544786
O        1.73715000       0.95735000      12.20172000      -1.47631332      -0.57573051       0.01308131
O        4.34663000       1.05106000      12.31971000      -0.38019964      -0.43831154      -0.04053970
O        2.84027000       3.34819000      12.27417000       1.30506817      -0.11123385      -0.10734156
O        4.31295000       2.56481000      21.89352000      -0.94075763      -0.14967513      -1.37561009
O        1.07270000       2.58991000      21.84888000       1.36559750      -0.84266418      -0.93770054
O       -0.19766000       4.95647000      21.71326000      -0.17369668       1.15895878       0.87463530
O        1.78431000       4.20854000       2.52079000      -1.81875118       0.99141647       1.83200864
O       -1.67054000       4.23567000       2.71808000       2.58404078      -0.96843513      -1.00900943
O        0.11296000       1.51088000       2.79540000       0.28392686      -0.44460636      -0.63420821
O        1.62323000       0.74474000       5.20092000      -1.83482492      -1.49938524       0.64034844
O        4.69128000       0.94423000       5.34477000       0.73563803      -1.93450838      -1.25311907
O        3.02443000       3.42475000       5.33033000       1.48632052       0.83618846      -1.47715194
O        4.04053000       2.59566000      14.83115000       2.98263853      -1.50664599      -1.43978626
O        1.49154000       2.32007000      14.81363000      -1.20824824       1.54877739      -0.72204229
O        2.71558000       0.08246000      14.89830000       2.03135915      -0.13516059      -1.70528616
O        1.02919000       4.41142000      24.19347000       1.06179039      -1.59456904      -0.86325961
O       -1.60569000       4.28886000      24.17543000       0.53028452       1.23098925      -0.11257858
O       -0.27997000       1.92321000      24.25305000       0.21891319       0.41829377      -0.35538927
O        2.69061000       5.08428000      21.67155000       1.02923251       0.66851794       0.40459065
O        2.97535000       1.55022000       2.63766000       0.97315493       0.68640132      -1.51288469
O        0.10708000       3.41626000      12.12890000      -0.76337387       0.10090501       0.07031164
O       -2.73961000       5.02014000       7.37599000       0.07117819       0.36653303      -0.42771894
O        2.79979000       1.54322000      16.96605000       1.58772760       1.29494685      -0.29007771
O       -0.30551000       3.64198000      26.47895000       1.15221832      -0.16455643      -0.56502005
O        0.17076000       0.13481000       0.47620000      -0.98526924      -2.01031593      -2.29393491
O        3.07322000       1.70113000      10.05458000      -1.00147487       0.16845087       0.17596544
O       -0.25344000       3.40833000      19.63810000       0.37995403      -0.42755803      -0.09523617
O       -0.12260000       1.69383000      16.85948000      -0.26535092      -2.58794563       0.56219929
O        1.60497000       4.30434000      17.01741000      -1.43485633       0.70066848       0.00366855
O       -1.65599000       4.26719000      17.04889000      -1.01839110      -0.05658251      -0.01699785
O        2.69179000       3.40410000      26.54578000       0.15837799      -0.50009232      -1.15465705
O        1.58074000       1.07965000      26.32941000      -1.44043501       1.41726549       1.10374070
O        4.31571000       1.09262000      26.43511000      -0.19150303      -0.23688361      -0.75591730
O        0.15045000       4.94691000       7.48578000       0.11453379      -0.52354774      -0.10861784
O       -1.14322000       2.56263000       7.39151000       0.10962607      -0.34338656       1.29335891
O        1.52634000       2.63458000       7.48348000       0.01827759       0.14181196       0.01446204
Zn       0.07617000       0.14581000      26.96824000      -0.81989371      -0.13207020       1.43250157
Zn       3.13048000       1.74241000       8.20845000       0.02435719      -0.40155483      -2.08112413
Zn      -0.01562000       3.34306000      17.63436000      -0.23743325       1.66055879       1.21297137
Zn       5.62810000       0.06490000      23.55199000       0.28947949       0.40506766       0.89289741
Zn       3.09331000       1.65357000       4.56675000       0.95815590       0.35996537      -0.94061156
Zn      -0.13769000       3.43744000      14.10196000       0.16557321      -0.54446110      -0.10139184
Zn      -0.03805000       0.10400000      13.15549000       0.37522521      -0.37919746       0.26564593
Zn       2.74844000       1.75402000      22.82335000      -0.47031687      -0.36775570       0.10504931
Zn       0.36977000       3.21590000       3.76181000      -0.23108844       0.59722896      -0.34365905
Zn       0.15644000       0.01681000       9.34125000      -0.03538720      -1.44573193      -0.57658653
Zn       2.97164000       1.54469000      18.82934000      -2.03883586       1.38381973       0.57732866
Zn       0.27967000       3.48831000      28.39702000      -1.74396580      -0.16800126      -0.48348710
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.33501994 magmom=72.0039406 free_energy=-553.3350201 stress="-0.033470003121893015 -0.008148729285215145 -0.0018133706186208758 -0.008148729285215145 -0.04190126202595503 0.006293357966342884 -0.0018133706186208758 0.006293357966342884 -0.045326644195905624" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43351000       0.78736000      15.97817000      -0.91305792       0.05887321      -1.05167928
Cr       4.43948000       0.72233000      15.80772000      -0.85382703       1.09109560      -2.17330446
Cr       2.83416000       3.34473000      15.91818000       1.80443177      -0.33784535      -0.94490653
Cr      -1.65359000       2.89741000      25.48782000      -1.04370821      -1.75640970      -1.24889955
Cr       1.25131000       2.68771000      25.18972000       0.44592860       0.25778439       0.55969073
Cr       2.89344000       0.23256000      25.38126000      -1.28405296       0.09532391      -2.77906995
Cr       1.63827000       4.29896000       6.32147000       1.10866492      -0.43472049       0.26404943
Cr      -1.20694000       4.11991000       6.36484000      -1.94786642      -0.04563570      -0.08596338
Cr       0.33106000       1.72425000       6.26881000      -1.43369386      -1.51361203       0.53475121
Cr       2.83256000       5.02658000      18.18572000      -0.88050082       0.45302855       3.01013498
Cr       2.91074000       1.74803000      27.69191000       0.18491571      -0.17503997      -0.41861088
Cr       0.18430000       3.42908000       8.64878000       0.58801090      -1.36986593       2.81485665
Cr      -2.73461000       4.96708000       3.95446000      -1.19667429      -0.67057946       1.11503970
Cr       2.75982000       1.74560000      13.56889000       1.77951632       0.54252967      -1.24926041
Cr      -0.23315000       3.47694000      22.95509000      -0.22635273      -0.75039250       0.69154377
Cr      -0.23149000       1.74809000      20.63646000       1.35539388      -2.76919676      -1.01391932
Cr       1.26556000       4.18037000      20.59889000       0.17677397       0.44504278       0.12491323
Cr      -1.77082000       4.25753000      20.67496000       2.32879255      -1.15235933      -0.60963836
Cr       3.05029000       3.32099000       1.56435000      -1.37103628       1.63025056      -0.94362932
Cr       1.51389000       0.71833000       1.65301000       1.34111080      -0.44277468      -2.84570449
Cr       4.44718000       0.89351000       1.45398000       2.08409414      -1.90436507       0.76511806
Cr       3.06327000       0.04721000      11.05259000       0.67928657      -0.61531827       1.45395710
Cr      -1.44007000       2.55590000      11.14226000       0.98136871       1.80804642      -0.64514422
Cr       1.58808000       2.57109000      11.04485000      -1.79138822       0.13033750       1.41137609
O        1.16510000       0.67678000      19.53620000       0.26685151       1.32208888      -1.31735603
O        4.42161000       0.68728000      19.50832000      -0.47944183       0.24057621      -0.95938576
O        2.80318000       3.51037000      19.50499000      -0.89948473      -0.85583005      -0.96546755
O        4.33995000       2.50259000       0.33410000       0.31691433      -0.13968699      -0.43529234
O        1.72398000       2.31098000       0.39196000      -2.08145384       1.45242666       1.19379858
O        3.11719000       0.13945000       0.24847000      -0.79686738       0.26977742       0.91592711
O        1.56199000       4.16283000       9.90666000      -1.78829474       0.30605097       0.32712481
O       -1.14365000       4.19804000       9.95165000      -0.04130035      -0.38932715      -0.59217956
O       -0.01769000       1.77177000      10.05066000       1.17717194       0.59120195      -1.47756172
O        1.64891000       0.95439000      12.22743000      -0.07301151      -0.70384790      -0.84165620
O        4.38203000       1.11734000      12.28658000      -1.47311992      -2.49937792       0.82833631
O        2.99462000       3.33374000      12.30143000      -0.30243778       0.04035846      -0.14242414
O        4.41653000       2.56000000      21.75358000      -2.25412535       0.62010134       1.21776019
O        1.17847000       2.56160000      21.75540000      -0.01559326       0.40693503       0.74582732
O       -0.23679000       4.85237000      21.70619000       0.44247771       2.27526104      -0.01486510
O        1.67533000       4.37682000       2.76793000       0.13275951      -0.93757320      -0.57766621
O       -1.50088000       4.08389000       2.70779000       0.82283996       0.86039947       0.31026746
O        0.17332000       1.35338000       2.80799000      -0.69413346       2.27554735      -0.25803306
O        1.50802000       0.57686000       5.32565000       1.88780207       1.08286789      -2.36986930
O        4.75825000       0.71334000       5.23781000       0.11935364       1.49150085      -1.07135606
O        3.12286000       3.45378000       5.30623000       0.27405650      -0.72030185      -0.97922454
O        4.21806000       2.37086000      14.69716000      -0.30245217       0.67961356       1.05856681
O        1.43473000       2.57691000      14.81754000       0.16307860      -1.37507920      -0.18173646
O        2.79737000       0.12679000      14.70130000       0.30812045       0.67745556       0.42559133
O        1.11015000       4.27733000      24.13881000       0.31270242       0.89429786      -0.01532280
O       -1.47020000       4.43254000      24.30815000      -1.31718089       0.05075562      -1.15451573
O       -0.30903000       2.02045000      24.27218000      -0.25739705      -0.91057001      -0.16391511
O        5.67456000       0.02235000      21.60256000      -0.50350169      -0.27398094       0.53287770
O        2.99307000       1.65284000       2.51451000       0.24014990      -0.41671751       1.80179561
O        0.11261000       3.26156000      12.09691000      -0.38194149       2.19015119       0.78342744
O       -2.73937000       5.00335000       7.40939000       0.38706990       0.57152423      -0.53360047
O        3.03328000       1.52153000      16.87766000      -1.32251682       1.06935829       0.44437788
O       -0.23918000       3.78520000      26.40153000       0.63229272      -2.01036433       1.34430308
O        0.08631000       0.00258000       0.42319000      -0.18804293      -0.40948116       1.04500125
O        2.96111000       1.79084000      10.02638000       1.34790386      -1.19450544      -0.59563998
O       -0.14624000       3.29686000      19.54877000      -0.56745003       1.15864082       0.17709401
O       -0.16045000       1.43219000      16.99488000       1.39248778       1.20505519       0.19379255
O        1.43479000       4.26380000      16.83850000       1.36689322      -0.12124374       1.21718971
O       -1.71238000       4.27627000      17.12147000       1.01147800      -0.64711520      -1.46960393
O        2.48281000       3.43043000      26.44439000       2.76228841      -0.36848651       0.79139734
O        1.44878000       1.20983000      26.31802000       0.56727946      -1.69181633       1.77506925
O        4.21515000       0.92231000      26.48400000       1.01834423       2.44653543       0.13905990
O        0.16297000       4.94034000       7.47451000       0.27021544       0.87422993      -0.38939347
O       -0.97929000       2.49379000       7.45037000      -1.77002493       0.20860111      -0.12335302
O        1.57310000       2.72966000       7.36214000       0.32972019      -1.49066134       1.27347780
Zn       0.06968000       0.07177000      27.05060000      -0.68823613       0.37640685       0.37275098
Zn       3.15247000       1.70813000       8.11099000       0.14808735       0.25626382      -0.39541627
Zn       0.09085000       3.39805000      17.69842000      -2.05419234      -1.03913660      -0.12758560
Zn       5.54829000       0.11939000      23.44631000       1.10177183       0.57708815       1.50060033
Zn       3.10915000       1.57855000       4.51363000       0.24147788       0.16096740       0.24591299
Zn      -0.25379000       3.48354000      14.09000000       0.73141548      -1.07607927      -0.84697052
Zn       0.03610000       0.14830000      13.01730000      -0.34609460      -0.63143494       0.64514398
Zn       2.70732000       1.78278000      22.84605000       0.19833739      -0.17059097      -0.28134630
Zn       0.44877000       3.24651000       3.86703000      -0.81825270       0.04959990      -0.33552269
Zn      -2.75845000       5.03055000       9.39025000       0.11798714       1.02726553      -0.33800889
Zn       2.88905000       1.63862000      18.80344000      -0.56491471      -0.09778488       0.97464526
Zn       0.16556000       3.37973000      28.34909000      -0.02399633      -0.11210790      -0.06254902
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.89486478 magmom=72.0016017 free_energy=-551.89486687 stress="-0.02787045462422466 -0.009614976907045379 0.0008166178516240648 -0.009614976907045379 -0.042086992316945945 0.014509155319213606 0.0008166178516240648 0.014509155319213606 -0.03933923635618189" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40440000       0.75727000      15.89899000       0.76263309       1.13520464      -0.90394368
Cr       4.40386000       0.75253000      15.81489000       1.00569032       0.11257974       0.01486211
Cr       2.98364000       3.39796000      15.89357000      -0.88353187      -1.18945507      -2.51404233
Cr       4.22017000       2.78034000      25.55356000       2.39678037       0.74771649      -3.49623740
Cr       1.24708000       2.71488000      25.31664000       0.38809418      -1.31157906       0.28856619
Cr       2.86290000       0.31118000      25.24371000      -0.52665189      -0.79261246       1.03231233
Cr       1.69422000       4.28854000       6.39871000       1.03046386      -1.05225147      -2.52692870
Cr      -1.27287000       4.14765000       6.40194000       0.46430109      -0.23028048      -2.24603748
Cr       0.34023000       1.67749000       6.25674000      -0.70150555      -0.44832073      -0.76962753
Cr       2.72505000       4.91147000      18.26617000       2.35925832       3.01916722      -2.66095739
Cr       2.88691000       1.79456000      27.73730000      -1.29674451      -0.75302444       2.27940830
Cr       0.24385000       3.43312000       8.66704000      -0.47396202      -0.51259473       0.38491852
Cr      -2.82616000       4.91322000       3.92173000       3.59011094       1.14507135      -0.43713659
Cr       2.75254000       1.75467000      13.50784000       1.78044109       0.27740215      -0.16735613
Cr      -0.25706000       3.53719000      23.06191000      -0.88175976      -0.03780919      -3.25461460
Cr      -0.06352000       1.69780000      20.58929000      -2.63475393      -0.54720805       1.06343723
Cr       1.21818000       4.17193000      20.46583000       1.52583169       2.25921715       3.68451567
Cr      -1.70584000       4.22589000      20.58046000       0.62694066      -0.03531446       1.11429370
Cr       3.05810000       3.44803000       1.62260000      -0.32456882      -3.66973150       0.35813371
Cr       1.50556000       0.73150000       1.65554000       1.48805908       0.69252074      -0.90238836
Cr       4.39979000       0.74870000       1.56656000       1.39548289       1.68033592       0.08234627
Cr       3.07200000       0.01659000      11.11356000      -0.57591516       0.20888738      -1.50426172
Cr      -1.39363000       2.64775000      11.23033000       0.09458717      -2.03451065      -2.82237050
Cr       1.56404000       2.55357000      11.12436000       0.33157944       0.84480218      -1.24982206
O        1.20629000       0.78709000      19.52963000       0.08395507      -1.02454596      -1.41146245
O        4.39149000       0.66394000      19.36548000      -0.60125071       0.79745035       0.23734915
O        2.68858000       3.43539000      19.34818000       0.31033217       0.51798285       2.20427887
O        4.23148000       2.50721000       0.25362000       0.80822387      -0.03286166       1.15169326
O        1.53293000       2.43384000       0.66663000       0.38152454       0.63945213      -1.89686677
O        3.02195000       0.22107000       0.37188000      -0.95400646      -1.14770409      -0.96382577
O        1.44509000       4.19558000       9.96724000       1.79828055       0.78406297       0.26299715
O       -1.08165000       4.22829000       9.88532000      -1.07478690      -0.86125464       0.26162340
O        0.22166000       1.98878000       9.87056000      -1.16860798      -2.37917142       1.20030847
O        1.60277000       0.87683000      12.09785000      -0.12377067       0.60251803       0.63970570
O        4.15566000       0.85684000      12.33689000       2.61198413       1.84364427       0.58930533
O        3.07960000       3.27893000      12.28491000      -1.21218376       1.10561847       0.22551315
O        4.21487000       2.66385000      21.74751000       1.32737870      -0.26880007       0.57138166
O        1.21623000       2.63198000      21.74198000      -0.99043920       0.19033786       0.61011664
O       -0.20759000       5.05420000      21.71317000      -0.04175184      -0.90151073      -0.12460807
O        1.61186000       4.39896000       2.87826000       0.14823239      -1.34567583      -1.57572204
O       -1.24976000       4.11630000       2.66308000      -1.78865586       0.84381253       0.16116227
O        0.13891000       1.46526000       2.75945000      -0.73083287      -0.30378514       0.61273676
O        1.61615000       0.55844000       5.11252000      -0.36757120       0.52632257       0.78415800
O        4.86345000       0.67444000       5.05765000      -1.35885702       1.10296957       2.56591011
O        3.30370000       3.40183000       5.12969000      -1.13528005      -0.47694984       1.33007165
O        4.34402000       2.26024000      14.71101000      -1.14414306       2.19719971      -0.56650764
O        1.48116000       2.57355000      14.77945000      -0.01532875      -0.63428860      -0.22597790
O        2.93915000       0.27008000      14.60699000      -1.33638345      -2.60185071       1.17870806
O        1.19788000       4.23372000      24.11496000      -0.47562543       1.02538199       0.86635994
O       -1.51770000       4.56434000      24.22726000      -0.47643568      -0.93091879       0.25022140
O       -0.33671000       2.02871000      24.27855000       0.55377711      -0.51725034       0.04789966
O        5.68795000       0.00975000      21.53501000      -0.21063775      -0.48791269       0.11138206
O        3.05961000       1.70468000       2.57941000      -0.60437815      -0.33844650       0.08121256
O        0.04326000       3.48419000      12.14912000       0.76657265      -0.76480050       0.51094702
O       -2.68667000       5.09166000       7.30372000      -0.27640586       0.11550576       1.48144652
O        3.01982000       1.70362000      16.79423000      -1.16015067      -0.85091927       1.65483482
O       -0.07293000       3.61274000      26.40434000      -0.75574989       0.67707994      -0.32210202
O        2.89370000       4.91730000       0.53669000       0.49393081       2.51114232      -1.10010535
O        3.04211000       1.69961000      10.03949000       0.50696350       0.76535004       0.17266112
O       -0.17406000       3.34645000      19.57444000      -1.49667275      -0.21781580      -0.40437480
O        0.00356000       1.33887000      17.08827000      -0.68575374       1.22473228      -0.43949617
O        1.49762000       4.24032000      16.83753000       0.71942763      -0.23363152       1.08969253
O       -1.58417000       4.19655000      16.94340000       0.44971956       0.61370414       1.22758382
O        2.71553000       3.34058000      26.42676000      -0.85661251       1.25998166       1.57117770
O        1.39830000       1.17606000      26.57662000       1.05811694      -0.52217136      -1.24553205
O        4.26460000       1.14186000      26.46270000      -0.54899149      -1.21140300       0.19092112
O        0.21759000       4.96110000       7.38468000      -0.18632273       0.13995380       0.53658569
O       -1.04872000       2.50738000       7.47938000       0.13498817       0.36174212      -0.64523988
O        1.60089000       2.61575000       7.42769000      -0.13407698       0.37930378       0.06107926
Zn       0.02265000       0.01662000      27.16398000      -0.87657486       0.28553396       0.57567031
Zn       3.18206000       1.68458000       7.98451000       0.08872808       0.02829762       1.18936118
Zn       0.09412000       3.40846000      17.74925000      -1.28559307      -1.22477265      -1.68888170
Zn       5.53117000       0.20547000      23.42315000       1.30967288       0.38976475       0.40938474
Zn       3.14205000       1.51603000       4.46837000       0.62576017       0.36995077       0.30978705
Zn      -0.32514000       3.48089000      14.04215000       1.59696386       0.49864313       0.64341383
Zn       0.08369000       0.15574000      12.92546000      -1.46405228      -0.93364244       1.44182941
Zn       2.67426000       1.80029000      22.86436000       0.40335662      -0.07678522      -0.60964102
Zn       0.48016000       3.27677000       3.96311000      -1.58927379      -0.55468326      -0.47931355
Zn      -2.72635000       4.97640000       9.41376000      -0.84806612       1.33125393      -0.55334210
Zn       2.76858000       1.72502000      18.82399000       0.65523611      -2.55504036      -0.88843245
Zn       0.04518000       3.26035000      28.30641000       0.20123739       0.76168647       1.28389082
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.52378983 magmom=71.9966964 free_energy=-552.52378985 stress="-0.037938938130085094 0.005610736215531226 0.011594685716187929 0.005610736215531226 -0.03189208676287283 -0.006885599475600588 0.011594685716187929 -0.006885599475600588 -0.041211847160165474" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40311000       0.78714000      15.79378000       0.67479509       0.74405711       0.55977027
Cr       4.42701000       0.79828000      15.83267000      -0.26659244      -0.22419438       0.58652746
Cr       3.07871000       3.40574000      15.79746000      -2.91213967       0.12915250       1.20005247
Cr       4.27589000       2.69059000      25.46368000      -0.11355581       1.72889030      -0.67242757
Cr       1.29308000       2.66571000      25.46449000       0.77839457       0.57713576      -1.11505042
Cr       2.78201000       0.35724000      25.18371000       0.09594251      -1.87191792       1.96953637
Cr       1.79766000       4.21707000       6.34658000      -1.02809064      -0.77736696      -0.26090615
Cr      -1.31505000       4.16356000       6.31430000       2.35430147       0.93523370      -0.54125490
Cr       0.30190000       1.61670000       6.21816000       0.40695073       2.09954476       1.09026780
Cr       2.74117000       4.95532000      18.26401000       2.46952047       1.65665387      -1.54271936
Cr       2.82973000       1.80711000      27.85214000       0.44478361      -0.87085069       0.35536464
Cr       0.28323000       3.39337000       8.74281000      -0.56071178      -0.06468018      -1.59666375
Cr      -2.75246000       4.93655000       3.88360000      -0.21373776       1.29857983       0.57433018
Cr       2.86622000       1.76303000      13.44609000       0.25368298      -1.50954327       0.70883369
Cr      -0.32921000       3.59278000      22.98689000       1.30445816      -0.29043144       0.41166207
Cr      -0.03529000       1.59432000      20.58054000      -2.37350142       2.74773783      -0.11182624
Cr       1.25827000       4.30411000      20.49955000      -2.52819880      -0.34638483       1.95176780
Cr      -1.62872000       4.20206000      20.53423000      -2.23389371       0.94175581       1.86960020
Cr       3.04238000       3.38065000       1.64504000      -0.19232808       0.00373306      -1.01946743
Cr       1.57172000       0.81058000       1.58186000      -3.02619382       1.26954832       0.50859584
Cr       4.42339000       0.69780000       1.66553000      -0.43940204       1.90546858      -1.35586963
Cr       3.06714000       0.02085000      11.11446000       0.20493116       1.48896144      -0.50600046
Cr      -1.34404000       2.63394000      11.17500000      -0.44799641      -1.77118207      -0.25027022
Cr       1.54648000       2.58793000      11.13417000       1.44487496       0.80865052      -0.86698827
O        1.15981000       0.73474000      19.30783000      -0.26739713      -0.63162424       1.70766410
O        4.30473000       0.77021000      19.25230000       1.14101000      -0.59482358       1.29019983
O        2.63764000       3.45634000      19.56642000       1.34752919      -0.16403870      -1.35332489
O        4.21728000       2.46817000       0.43650000       0.54823196      -0.90464618       0.01829254
O        1.45216000       2.62500000       0.65539000       1.62092371      -1.37132598      -1.19015114
O        2.80357000       0.12757000       0.36585000       1.79929108      -0.13347866      -0.69396151
O        1.52912000       4.30656000      10.07170000      -0.17429779      -1.13157162      -0.77587193
O       -1.14151000       4.06541000       9.88536000       0.07891204       0.99684379       0.36913665
O        0.28596000       1.83028000       9.89312000      -1.20997986       0.05296543       0.63677539
O        1.61680000       0.94297000      12.06388000      -0.17391665      -0.53050757       1.24706878
O        4.29375000       0.90514000      12.39610000       0.33115171       1.12004549      -1.20720762
O        2.98398000       3.34253000      12.25135000       0.75510473      -0.17082444      -0.11553286
O        4.27834000       2.76655000      21.85531000      -0.39110456      -1.58027241      -0.45856701
O        1.00073000       2.75473000      21.80646000       1.52357441      -1.20519961      -0.18434796
O       -0.19292000       5.04889000      21.67976000      -0.43627943       0.93200570      -0.07806902
O        1.68908000       4.21125000       2.72051000      -0.60414254      -0.00684455       2.08151734
O       -1.42181000       4.34977000       2.64260000       0.06594595      -1.59292907       0.70276289
O       -0.00290000       1.48167000       2.80831000       0.37576285      -0.08618888       0.30377217
O        1.59545000       0.63347000       5.04140000      -0.43928641      -0.14680381       1.02187422
O        4.82935000       0.76006000       5.27402000      -0.65898315      -1.31102316      -1.22894138
O        3.27370000       3.34128000       5.18767000      -1.12584751       0.58197827      -0.08563087
O        4.18121000       2.45527000      14.68966000       1.81700077      -1.46334587      -0.78637630
O        1.58834000       2.40324000      14.69235000      -1.25997149       1.45034568      -0.23895184
O        2.87742000       0.08833000      14.73703000       0.94073498       1.34163636      -0.57253511
O        1.11901000       4.35909000      24.26766000       0.66448509      -0.19321890      -1.00200607
O       -1.59759000       4.48256000      24.19062000      -0.22544470      -0.16382667       0.57993941
O       -0.25004000       2.01253000      24.29175000       0.65100397       0.28581344      -0.34252919
O        2.73395000       5.03439000      21.46007000       0.44628842       0.85025612       2.05672057
O        3.00505000       1.65974000       2.59437000       0.05730593      -0.01079034       0.32488719
O        0.08283000       3.56265000      12.19700000       0.17312601      -1.67470596      -0.82073113
O        0.27706000       0.05059000       7.37516000      -0.05442851      -1.14828029       0.22497601
O        2.77635000       1.77081000      16.89885000       1.48306477      -0.81212260      -1.12370540
O       -0.08843000       3.52371000      26.35782000      -1.08117078       0.87099865       1.16678209
O        2.88298000       5.10692000       0.61235000       1.21515522      -0.28930313      -0.49547630
O        3.22992000       1.71662000      10.09346000      -1.20260599       0.32759279      -0.82749628
O       -0.34866000       3.36495000      19.58602000       3.02913868      -1.33332230      -1.14201621
O        0.07636000       1.48314000      17.01000000      -1.75904247      -0.56601948      -0.26285002
O        1.71469000       4.18404000      16.95963000      -2.08564370       0.46142560      -1.23309354
O       -1.41848000       4.25029000      16.85838000      -1.65829654       0.25500137       0.65174935
O        2.86536000       3.40969000      26.65913000      -0.86787651      -1.95402887      -1.37430419
O        1.54748000       1.02544000      26.60601000      -1.00182865       0.63467903      -0.93202556
O        4.23250000       1.12282000      26.51687000      -0.59281490      -0.83754977       0.18917399
O        0.27506000       4.92932000       7.33035000      -0.35064679      -0.33250378       0.76021587
O       -1.06119000       2.62294000       7.35485000       0.37562396      -0.95106110       1.11058832
O        1.55242000       2.57126000       7.47676000       0.81589740       0.34535212      -0.52786767
Zn       2.88037000       5.10143000      27.30168000      -0.18870084       2.09011662      -0.02643650
Zn       3.21878000       1.66479000       7.92026000       0.14428436       0.03665127       1.07519262
Zn       0.02653000       3.34866000      17.72024000       0.34404074      -0.42673379      -1.08348503
Zn       5.58317000       0.30987000      23.43116000       0.18681911      -1.26302922       0.23249063
Zn       3.21510000       1.47594000       4.44764000       0.34252267       0.39648608       0.68422043
Zn      -0.30868000       3.49593000      14.02497000       1.51852158      -0.70026823       0.81350221
Zn       0.05843000       0.11272000      12.91707000      -0.08790220      -0.44954473       1.49149751
Zn       2.66241000       1.81513000      22.85965000       0.14759241       0.37755470      -0.67184767
Zn       0.42878000       3.27780000       4.04456000      -0.64747215      -0.32113313      -1.19081497
Zn      -2.73425000       5.00014000       9.40611000       0.03928002       0.94080314      -0.48804781
Zn       2.68307000       1.69631000      18.80648000       0.64067399       0.12339237      -0.38705234
Zn      -0.07181000       3.18332000      28.31298000      -0.17120979       1.37239495       0.21339084
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.11560996 magmom=72.0027794 free_energy=-550.11561203 stress="-0.050336037246462365 -0.0026925377913990345 -0.0038251671759758086 -0.0026925377913990345 -0.03917904612704732 -0.005280504046910632 -0.0038251671759758086 -0.005280504046910632 -0.05511396987300241" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42899000       0.86384000      15.71555000      -1.01516859      -0.31670489      -0.22773118
Cr       4.43743000       0.82756000      15.90719000      -2.98414703      -1.14469252      -3.03889677
Cr       3.01673000       3.42375000      15.76918000      -1.81424313      -0.27542676      -0.69749571
Cr       4.34288000       2.68710000      25.32253000      -1.71485934      -0.95832061       1.89037619
Cr       1.38474000       2.64363000      25.58760000      -1.90806029       2.37213967      -2.38023126
Cr       2.70584000       0.28977000      25.23993000       1.51119409      -1.85312104       1.00391726
Cr       1.81995000       4.09446000       6.28887000      -2.46661611       1.77746314       2.29853008
Cr      -1.21131000       4.20102000       6.19183000       0.31553488      -0.89727029       2.12446640
Cr       0.25960000       1.67414000       6.25110000      -0.56495362      -0.44304934       1.60327022
Cr       2.85042000       5.09917000      18.18166000      -0.40162137      -1.65454827      -0.61477760
Cr       2.78630000       1.75609000      28.00832000       4.03489250      -3.44272193      -6.90557826
Cr       0.28134000       3.34643000       8.72939000      -0.71431794      -0.03379999       0.33482255
Cr      -2.69410000       5.04569000       3.89886000      -3.20127323      -1.76661957       1.73154549
Cr       3.00670000       1.69227000      13.42182000      -1.17911222       0.46085635       0.14138375
Cr      -0.33068000       3.63660000      22.91367000       2.11972421      -0.81150821       2.24532009
Cr      -0.15409000       1.62499000      20.56027000      -0.21983282       1.86920872       1.89618311
Cr       1.23083000       4.43713000      20.62426000       0.49027791      -3.36075934      -0.10376938
Cr      -1.65966000       4.20798000      20.55868000       0.31519337      -1.39730152       1.58247916
Cr       3.00664000       3.26527000       1.60385000       0.40967723       3.66586123       1.78991820
Cr       1.51156000       0.95938000       1.48938000      -0.82154155      -2.45676088       2.97870528
Cr       4.43967000       0.74442000       1.69443000      -0.18049150      -2.62540312       0.19530984
Cr       3.06764000       0.10370000      11.07017000       0.06960733      -1.44343753       0.35646826
Cr      -1.31511000       2.52035000      11.07792000       0.19547396       2.72292736      -0.37490279
Cr       1.61385000       2.65179000      11.08955000       0.60527691      -2.32786623       0.50109540
O        1.14326000       0.61673000      19.45448000       0.99401076       2.02529092      -0.51771630
O        4.41188000       0.79155000      19.36073000      -0.54031185       0.13781665      -0.39885545
O        2.77199000       3.51341000      19.63580000      -1.30201597      -0.52062960      -2.33256481
O        4.33219000       2.26045000       0.65048000      -0.37438884       1.48818547      -1.99902761
O        1.61770000       2.60855000       0.42782000      -2.84131033       1.05906848       1.68859626
O        2.84700000       0.01614000       0.31580000       0.35174619       0.79680348       1.59212859
O        1.54941000       4.22364000      10.04955000      -0.70291305       0.73067780      -1.48049167
O       -1.14738000       4.06045000       9.95520000       0.52213502       1.72281095      -1.20564630
O        0.13631000       1.70662000      10.09938000       0.82719109       1.29586706      -1.77252366
O        1.67638000       0.98082000      12.22690000       0.23250069      -0.93484971      -0.83321272
O        4.51209000       1.18521000      12.27015000      -1.18956369      -4.02867270       1.32387100
O        3.02001000       3.31891000      12.19656000       0.90406587       0.20344030       0.58000389
O        4.34472000       2.64297000      21.84782000      -0.78015234      -0.60750286      -1.07669866
O        0.98164000       2.70109000      21.80237000       1.59387288       0.11448300      -0.20689023
O       -0.27143000       5.09894000      21.61879000      -0.11036661       0.93869870       0.65727297
O        1.72625000       4.06521000       2.84176000      -0.79119346       1.21568555       0.06100095
O       -1.62416000       4.37060000       2.61132000       2.55245009      -1.04711989      -0.67160234
O       -0.09448000       1.43645000       2.88795000       0.80042391       2.40817287      -0.70581688
O        1.45214000       0.67564000       5.17775000       2.65334138       1.01091972      -1.18646698
O        4.72548000       0.64828000       5.36882000       0.62831829       0.69802716      -1.39257243
O        3.11498000       3.40986000       5.23905000       2.66047810      -1.30781038      -2.20681615
O        4.23967000       2.43201000      14.61568000       1.30600844       0.33691143       1.73788232
O        1.53609000       2.43081000      14.55647000       0.33365457       0.82947636       0.54788282
O        2.96196000       0.13817000      14.80153000       0.16814441      -0.25390514      -1.63380460
O        1.08449000       4.45647000      24.28621000       1.12223647      -0.57316301      -1.29837543
O       -1.63515000       4.32839000      24.26660000      -0.22985162       0.61073562      -0.68753009
O       -0.02965000       2.11489000      24.26708000      -0.62393509      -0.50701563      -0.27680382
O        2.77870000       5.10201000      21.66158000      -0.10603687      -0.01749935      -1.18311344
O        2.94413000       1.59721000       2.58534000       0.32884775       0.19939199       1.32804023
O        0.16540000       3.35295000      12.06410000      -0.80462634       2.07272198       1.37449247
O       -2.66799000       5.02845000       7.40237000       0.21297643       0.08216660      -1.07542822
O        2.79073000       1.67113000      16.78932000       1.25257900       0.79474623       1.23475930
O       -0.28963000       3.56313000      26.44272000       1.22013592      -0.37420054       0.07922219
O        0.10047000       0.22571000       0.63060000      -2.07555341      -2.38666310      -0.87663162
O        3.17595000       1.78165000      10.01852000      -1.28091682      -0.84585710      -1.24210266
O       -0.10995000       3.23954000      19.53074000      -0.40757393       1.80966624      -0.07504222
O       -0.11452000       1.52901000      16.84362000       2.48104868       0.48274575       1.97348448
O        1.61349000       4.23448000      16.89649000      -0.38157413       0.28953169       0.52356802
O       -1.58896000       4.38784000      16.86968000      -0.21471771      -0.65396938       1.12656199
O        2.81401000       3.22072000      26.70315000       0.89902402       1.51635022       0.11431957
O        1.52229000       0.98734000      26.47508000      -2.15258396       0.60861054       2.58115068
O        4.07211000       0.87470000      26.61896000       0.85632312       1.37014925      -0.47396889
O        0.28592000       4.78761000       7.39035000      -0.10825060       1.46964510       0.01717378
O       -0.96488000       2.64111000       7.36108000      -1.49897620      -0.71443257       0.50509734
O        1.58860000       2.60349000       7.40466000       0.74115197      -1.77357682       0.68159631
Zn       5.71084000       0.05152000      27.43389000      -0.34803510      -0.23089033      -2.63776601
Zn       3.26793000       1.64190000       7.91562000       0.06986325      -0.21789554       0.80689620
Zn      -0.03879000       3.26268000      17.61813000       0.00467652       1.32235066      -0.44306972
Zn       5.65713000       0.36663000      23.46385000      -0.35331896      -0.78074688       1.97319593
Zn       3.31863000       1.46077000       4.46911000      -1.16861195       0.87752117       0.36272093
Zn      -0.19482000       3.48543000      14.04308000       1.46949049      -0.34610531      -0.54499757
Zn       0.01901000       0.03562000      12.99708000       0.50960968      -0.05973022       0.79772480
Zn       2.65842000       1.84846000      22.83168000      -0.03735383       0.28382223      -0.27054174
Zn       0.32955000       3.25849000       4.08549000      -0.06180524      -0.05400027      -1.39074937
Zn      -2.74360000       5.07138000       9.36647000       0.37504852      -0.39942629      -0.03721891
Zn       2.63202000       1.64188000      18.75823000       0.92530390       0.74549751       0.32051360
Zn      -0.20494000       3.17490000      28.33568000       0.60866681       1.42852950      -0.18551852
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.37773453 magmom=72.0010108 free_energy=-551.3777349 stress="-0.02456910755591023 -0.00502832357270158 -0.0015913686399486376 -0.00502832357270158 -0.02089685144905093 0.0017819264636220063 -0.0015913686399486376 0.0017819264636220063 -0.029038459328391168" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40731000       0.91830000      15.66182000       0.49253693      -1.19991383       0.29011538
Cr       4.35558000       0.79586000      15.89047000       1.35194765       1.08118619      -1.95966076
Cr       2.84067000       3.45533000      15.76234000       1.52696316      -0.36264444      -0.18237663
Cr       4.31130000       2.64481000      25.30678000      -1.53626272      -1.08293047       1.34010007
Cr       1.38232000       2.73015000      25.61338000      -0.52775583       0.13435001      -1.50064796
Cr       2.70223000       0.12368000      25.37622000      -0.69720111       0.33088464      -0.18506359
Cr       1.73103000       4.03877000       6.33153000       1.57084928       0.61004471      -0.58607069
Cr      -1.07429000       4.20203000       6.17704000      -2.19726419       0.05450571       0.67746900
Cr       0.21397000       1.71272000       6.36600000       1.29805009      -3.50088583      -1.52394969
Cr       5.84389000       0.05847000      18.08367000      -1.55504127      -1.19369474       5.17571216
Cr       2.86592000       1.55608000      27.99164000      -0.67429688       2.26476931      -3.86028408
Cr       0.23309000       3.30680000       8.70020000      -0.06895775       0.72790162      -0.36832300
Cr      -2.79084000       5.08259000       3.98053000       2.10218054      -1.01405438      -1.74460872
Cr       3.09602000       1.65949000      13.41467000       0.56822696       2.20949072       0.23983376
Cr      -0.20278000       3.63221000      22.95803000       0.37555891      -0.74846325      -0.46220007
Cr      -0.26957000       1.76436000      20.60314000       3.56927235      -1.31493035      -0.82503184
Cr       1.22023000       4.39677000      20.72616000       1.53718103      -0.60518783      -2.33444829
Cr      -1.71542000       4.16823000      20.63091000      -0.19226422       1.46490971      -1.64877186
Cr       2.98953000       3.30466000       1.60095000       0.06012814       1.32398673       1.13125761
Cr       1.44502000       0.98916000       1.46004000      -0.75092052      -2.25164718       3.47869426
Cr       4.43879000       0.68945000       1.72520000      -0.94194438       0.32593934       0.89798507
Cr       3.07604000       0.10699000      11.03392000       0.95962620      -1.91279383      -0.17059671
Cr      -1.29347000       2.53158000      10.99412000      -0.58662318       1.27524114       1.25317719
Cr       1.70536000       2.61823000      11.07448000      -1.55612344      -0.24589727       0.27020269
O        1.27742000       0.79214000      19.62212000      -2.07980866      -0.97683926      -1.43939692
O        4.45231000       0.78544000      19.43640000      -0.73161940       0.20202762      -1.10017801
O        2.78725000       3.51356000      19.29875000       0.35466829       1.10093121       0.73132747
O        4.33878000       2.21868000       0.52186000      -2.00777462       0.20417016       0.05928973
O        1.42266000       2.68591000       0.36861000       2.03712407      -1.57023272       1.10545998
O        2.96292000       0.05647000       0.52456000      -0.72814734      -0.56071858      -0.19161571
O        1.42465000       4.17882000       9.84529000       2.46207603       1.03171397       0.98314447
O       -1.04202000       4.30711000       9.85846000      -1.97761539      -1.73549997      -0.42895361
O        0.15271000       1.86409000       9.99118000       0.71163547      -1.25034698      -0.79274120
O        1.81453000       0.88597000      12.23721000      -1.57014358       0.65635448      -0.54212214
O        4.45581000       0.91910000      12.22215000       0.42833324       0.20115484      -0.72076020
O        3.19727000       3.24272000      12.20148000      -0.40516704       0.60010400      -0.32994460
O        4.30689000       2.48893000      21.66403000      -0.78861591       1.93411267       2.13470088
O        1.19393000       2.68904000      21.75885000      -1.11835186       0.92907338       0.73695855
O        2.61523000       0.06983000      21.67913000       0.63379143      -1.34253246       1.09170255
O        1.68019000       4.19711000       2.98562000       0.00953354       0.28791115      -1.15302117
O       -1.49432000       4.23257000       2.51928000      -0.44021906       1.18714610       1.31411330
O       -0.04229000       1.63539000       2.84220000       0.46401826      -0.92554880      -0.17729768
O        1.65951000       0.81835000       5.16450000      -1.07444991      -0.87798802       0.32551623
O        4.78933000       0.57508000       5.26306000       0.07164317       0.86797721       1.05637428
O        3.29617000       3.39409000       5.04315000       0.10421792       0.75198727       1.28375796
O        4.47794000       2.37857000      14.78152000      -1.40516672       1.36472647      -0.74066093
O        1.60566000       2.56034000      14.54764000       0.76284557      -0.95439935       0.13187692
O        3.04859000       0.22634000      14.59795000      -1.44223440      -1.77698347       0.95534820
O        1.17158000       4.45593000      24.11964000      -0.37953927      -0.02467972       1.47579965
O       -1.62403000       4.25659000      24.25457000       0.28810086       0.86544586      -0.47246997
O        0.05703000       2.17791000      24.22703000      -1.05231908      -1.19011833       0.52433822
O        5.74536000       0.06991000      21.64381000      -0.45136951      -0.43178330       0.52597817
O        2.94134000       1.59798000       2.67059000      -0.17825108       0.51090185      -1.41800407
O        0.14657000       3.44466000      12.05745000       0.06593589      -0.00722413       0.02878113
O       -2.64416000       4.89420000       7.23085000      -0.02735288       0.98478096       0.99730622
O        2.97991000       1.69477000      16.76917000      -1.94320021       0.64486836       0.68473473
O       -0.28731000       3.53387000      26.44257000       1.00523969       0.13864958      -0.03283351
O       -0.01643000       0.02891000       0.61888000       0.18624341      -1.08602672       0.63692047
O        2.92580000       1.69922000       9.84039000       1.77134765       0.51278365       1.55070899
O        0.06330000       3.39224000      19.51891000      -2.30231031       0.30945360      -0.22599840
O        0.01690000       1.55421000      16.87221000      -0.25627132      -0.75208690      -0.66227477
O        1.41897000       4.30893000      16.85156000       0.91283050      -0.73494672       0.59022355
O       -1.79003000       4.39646000      16.94557000       2.29258109      -0.72413264      -1.97771118
O        2.91804000       3.18970000      26.66978000      -0.14899944       0.88959130       0.26484978
O        1.23765000       1.07786000      26.66891000       1.57650937      -0.36407031      -0.36041403
O        3.99995000       0.89272000      26.55989000       1.47140508       0.19905686      -0.25199696
O        0.27763000       4.81930000       7.46011000       0.53531217       0.01675780      -0.98618816
O       -1.06844000       2.54402000       7.47271000       0.13437248       0.87540005      -0.83741409
O        1.67288000       2.42247000       7.40698000      -1.34523509       0.92555754       0.42078892
Zn       5.57346000       0.11181000      27.43643000       0.21105399      -0.74025910      -2.24096265
Zn       3.31891000       1.60423000       7.94843000      -0.91239979      -0.73999306       0.47445258
Zn      -0.10312000       3.25103000      17.50237000      -0.57268205       2.27283469       1.57733957
Zn      -0.18465000       0.37664000      23.58557000       0.11078251      -0.78736755      -0.18168123
Zn       3.36148000       1.49391000       4.51226000      -0.94492313       0.90107811      -0.14042683
Zn      -0.01068000       3.45674000      14.03709000      -0.35851865       0.10573803      -0.52720781
Zn       2.96180000       5.06062000      13.13295000       0.75647066      -0.01539275       0.55283893
Zn       2.65450000       1.89159000      22.79852000       0.35572978      -0.37528976      -0.05325803
Zn       0.22324000       3.23581000       4.06747000       0.03125862       0.11043231      -1.48010507
Zn       0.21646000       0.01634000       9.30745000      -0.17409713      -0.48209081      -0.42583271
Zn       2.63497000       1.62994000      18.72659000       1.65968664       0.74429087       0.43587975
Zn      -0.29917000       3.24890000      28.35503000       1.28416965       1.72937305      -0.16155279
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.92378617 magmom=71.996233 free_energy=-551.92378617 stress="-0.029412034321453506 0.0034383904174368042 -0.0006383299798054325 0.0034383904174368042 -0.04786321671059551 0.010010002013381022 -0.0006383299798054325 0.010010002013381022 -0.03968496094285288" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40445000       0.88683000      15.64182000       1.44257045      -1.65450787       0.07392208
Cr       4.35092000       0.80271000      15.81382000       0.31242363       1.24835156      -0.21773728
Cr       2.76704000       3.49323000      15.78434000       3.40567581      -0.67734492      -0.10213997
Cr       4.19285000       2.56591000      25.37290000       0.89264333       1.61758610      -1.70223911
Cr       1.36182000       2.79816000      25.56203000       1.45719698      -1.74031459      -1.48717845
Cr       2.67543000       0.01199000      25.51163000      -0.73998668       2.52289744      -2.50815516
Cr       1.72866000       4.03417000       6.35259000       2.14136754       0.02315183      -1.63219347
Cr      -1.06477000       4.20205000       6.21035000      -0.93541824      -0.09522330       0.00929805
Cr       0.24088000       1.56908000       6.39913000       0.66116416      -0.01537005      -1.16439025
Cr       5.79474000       0.05385000      18.17695000      -0.33955046       0.59565556      -1.70958501
Cr       2.83566000       1.47861000      27.87464000      -1.31688313       2.80306045       0.10482543
Cr       0.19368000       3.33775000       8.65715000       1.44991710       1.27300302      -0.32803764
Cr      -2.77177000       5.05029000       3.95967000       2.09713610       0.99310366      -0.07727300
Cr       3.19800000       1.72483000      13.41079000      -0.43270210      -1.30103136      -1.09392960
Cr      -0.06764000       3.57730000      23.00834000      -2.72930826      -1.00745235       1.54943165
Cr      -0.21698000       1.82846000      20.60830000      -0.27226617      -0.66562110      -0.24050134
Cr       1.27997000       4.32905000      20.67496000      -0.69243153       1.56798672      -2.38192894
Cr      -1.78084000       4.22154000      20.61354000       1.66415121       1.47158285      -0.49557369
Cr       2.98392000       3.37770000       1.65406000      -0.64004564      -2.22429160       0.01829038
Cr       1.42264000       0.89969000       1.54896000      -0.40387722      -1.55237856       1.07048272
Cr       4.38387000       0.66072000       1.78111000      -0.09067180       3.04751556      -2.46635959
Cr       0.16058000       5.10783000      10.98107000      -0.20548502       0.57915464      -0.38486511
Cr      -1.29539000       2.63310000      10.97453000       0.54291303      -1.82197163      -0.39931116
Cr       1.70751000       2.56559000      11.07123000      -1.21385730       0.71892699      -0.63764309
O        1.05821000       0.81583000      19.49331000       1.69945270       0.71477664      -0.19987561
O        4.38396000       0.81513000      19.37996000      -0.02073356       0.39225101       0.34436186
O        2.83622000       3.65342000      19.16844000      -0.71529145      -2.52336072       2.94471714
O        4.07601000       2.29768000       0.37515000       2.62586373       0.48644971       0.81737235
O        1.50071000       2.50799000       0.50032000      -0.07843649      -0.16384296      -0.95071021
O        2.93565000       0.01035000       0.64970000      -0.57075489      -0.36539774      -2.13143082
O        1.60957000       4.25070000       9.80420000      -1.28499348      -0.96411953       0.67691366
O       -1.15566000       4.22432000       9.74495000       0.26692092      -0.81590448       0.94468287
O        0.29484000       1.85804000       9.78610000      -1.08740395      -0.04645634       1.97995511
O        1.76786000       0.93291000      12.12989000      -0.15275727       0.05865635       0.85100969
O        4.42413000       0.68273000      12.15127000       1.35626231       2.27073629       0.94300130
O        3.25712000       3.23279000      12.15772000      -0.93438346       0.91128700       0.73369170
O        4.27687000       2.67855000      21.75537000       0.56083846      -0.48974519       0.48119096
O        1.17206000       2.82611000      21.81803000       0.72420323      -2.18459314      -0.67594702
O       -0.25074000       4.97455000      21.85038000       0.00386773       2.21361089      -1.86387312
O        1.69800000       4.37322000       2.91204000      -0.76291633      -2.56790304       1.25738896
O       -1.52147000       4.31135000       2.65721000       0.46785871      -0.12107128       0.51096309
O        0.08249000       1.60106000       2.73468000      -1.35909878      -0.11725215       1.05723909
O        1.67385000       0.76695000       5.20860000      -0.11268785       0.11604900      -0.41959513
O        4.89324000       0.63238000       5.32906000      -2.06185021       0.03243980      -1.01494549
O        3.49197000       3.50407000       5.07056000      -1.95620577      -1.52568654       0.17997954
O        4.40833000       2.52080000      14.83266000      -0.04785931      -0.03138159      -1.31838737
O        1.79057000       2.46749000      14.55999000      -2.22769196       0.35086012      -1.06700952
O        2.90413000       0.13787000      14.56497000       0.67646256       0.46991657       0.72025350
O        1.14958000       4.42872000      24.22929000       0.84129453      -0.05397922       1.29556747
O       -1.51328000       4.29003000      24.19859000      -0.71608844      -0.07825719       0.97648408
O       -0.06777000       2.08322000      24.29625000       0.03920944      -0.10067507       0.46110257
O        5.68689000       0.06535000      21.58058000       0.05608109       0.62808179       1.67620541
O        2.91360000       1.69380000       2.51808000       0.37173563      -0.79798905       2.98636942
O        0.11960000       3.51699000      12.03369000       0.43691450      -1.82834711       0.17926046
O       -2.63701000       4.92946000       7.21824000       0.02570278      -0.12238931       1.47275335
O        2.89419000       1.79245000      16.79662000      -0.33296703      -0.90576192      -0.38650323
O       -0.13713000       3.49799000      26.38929000      -1.40056285      -0.40330083       2.38221157
O        2.79370000       4.86060000       0.64995000       0.56510775       3.77751597      -2.10241044
O        3.02459000       1.69498000       9.98063000       1.81008623       0.31917853      -0.72735103
O       -0.17218000       3.58519000      19.54600000      -0.40630756      -1.19416235      -0.23899034
O        0.13071000       1.50006000      16.83520000      -2.50053844       1.03542659       0.76450957
O        1.42981000       4.28289000      16.87071000       0.21806688       0.75501923       0.40734408
O       -1.65347000       4.33235000      16.75857000      -1.04794517       1.14925967       0.84175094
O        2.98828000       3.31558000      26.62512000      -1.87216133       0.06123505       0.44170527
O        1.26981000       1.12256000      26.74390000       0.73072548      -0.99253524      -1.33900487
O        4.12708000       0.98195000      26.41137000      -0.82923593      -0.95637805       0.85151741
O        0.35067000       4.82361000       7.34171000      -0.33863199       0.92117265       0.95608744
O       -1.09572000       2.60444000       7.40066000      -0.34984542      -0.63955651      -0.21277737
O        1.51785000       2.42722000       7.47405000       1.65865332       0.62701883       0.28813704
Zn       5.46907000       0.12485000      27.34004000       2.11265793      -1.14019970       0.59337666
Zn       3.31764000       1.53938000       8.00588000      -0.96365619       0.52311465       0.51638059
Zn      -0.18925000       3.34181000      17.46139000       0.19431328      -0.01749778       0.95254505
Zn      -0.12950000       0.33908000      23.70795000       0.01786076      -1.80684617      -0.92669153
Zn       3.34649000       1.57333000       4.54408000      -0.62963950       0.31767238      -0.41904606
Zn       0.14777000       3.42812000      14.00330000      -0.65458239      -0.51575843      -0.18653543
Zn       2.99186000       4.98503000      13.28673000       0.22628309       0.50392268      -0.53581249
Zn       2.67002000       1.91223000      22.77840000       0.67801632      -0.55602947       0.30106840
Zn       0.12614000       3.22253000       3.99217000       0.22560448       0.29366719      -1.01069907
Zn       0.21546000       0.04300000       9.22677000      -0.02964569      -0.20200936      -0.33212907
Zn       2.71152000       1.65707000      18.72190000       0.00334482       0.22840708       0.66280660
Zn      -0.31947000       3.39238000      28.37983000       0.79680827      -0.63580727       0.81261255
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.76949427 magmom=71.9972111 free_energy=-552.76949427 stress="-0.034363559700745824 0.00646643348523389 -0.0018863083512546536 0.00646643348523389 -0.039458864116012946 -0.004725877011124591 -0.0018863083512546536 -0.004725877011124591 -0.04086593231981332" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44417000       0.78935000      15.64181000      -1.25954646       2.66980011      -0.65839851
Cr       4.38796000       0.87470000      15.76291000      -0.92087574       0.57991398      -0.38637474
Cr       2.87897000       3.50373000      15.82103000      -0.78462573      -2.05836992      -2.65984561
Cr       4.10941000       2.57959000      25.37672000       1.50116569       1.64906981      -0.03126485
Cr       1.40101000       2.75535000      25.46805000      -2.42207190      -1.94809209       0.25118265
Cr       2.62951000       0.05291000      25.56434000       1.84272936      -1.57721505      -2.36705999
Cr       1.83091000       4.04614000       6.29514000      -0.91733596       0.62205852      -0.41529474
Cr      -1.11307000       4.18671000       6.24138000       0.43203552      -0.94621621      -0.30733703
Cr       0.30104000       1.44610000       6.36472000      -1.11740530       3.62362912      -0.00760465
Cr       5.70082000       0.03775000      18.19643000       0.71625578       0.40234652      -1.01259431
Cr       2.71708000       1.55216000      27.77752000       1.81560150       2.51042592       1.81230100
Cr       0.23053000       3.42481000       8.61104000       0.23034925      -1.70741549       0.59822830
Cr      -2.67079000       5.06078000       3.94969000      -3.56669972       0.06184141       2.38255300
Cr       3.25029000       1.73305000      13.33748000      -2.90790271      -0.91969910      -0.61521496
Cr      -0.07889000       3.49846000      23.11178000      -0.82423567       1.02073455      -1.27110174
Cr      -0.16551000       1.83191000      20.58755000      -1.61191683       0.25598163       1.10569319
Cr       1.30408000       4.35157000      20.50563000      -1.99923546      -0.27657155       2.51303037
Cr      -1.76741000       4.37169000      20.57625000       1.58319194       0.23360865       2.84867656
Cr       2.94510000       3.34912000       1.68056000      -0.85076430      -0.33758912      -0.98641029
Cr       1.42409000       0.75458000       1.64038000       0.11562975       1.11085334      -0.82012976
Cr       4.32006000       0.77239000       1.71198000       1.03164009      -0.29392747      -0.83984180
Cr       0.20276000       5.04042000      10.94540000      -0.13387241       1.96056370       2.12364117
Cr      -1.27376000       2.62775000      10.97983000       0.60528672      -2.45515142       2.52978129
Cr       1.65532000       2.54120000      11.03712000       1.73531053      -0.09379992      -0.04404149
O        1.08206000       0.92627000      19.34117000       0.44018180      -0.49726809       0.66122419
O        4.37176000       0.88195000      19.39667000       0.55246686      -0.63998053       0.00028726
O        2.76572000       3.50440000      19.50796000      -0.50468796       1.08479301      -1.29383331
O        4.14941000       2.41985000       0.41059000      -0.05569610      -1.07809806       0.61622657
O        1.61421000       2.29411000       0.52115000      -1.40694767       1.81308276       0.03020767
O        2.84251000       0.02819000       0.47929000       0.78109501       1.98149300       0.60738887
O        1.56872000       4.16119000       9.89795000       0.23082880       0.48626820      -1.04303427
O       -1.20059000       4.00726000       9.77534000       0.20307789       3.36876367      -0.80219609
O        0.23798000       1.88111000       9.90317000      -0.33810115      -0.80173585      -1.22563756
O        1.75478000       1.01202000      12.13473000       0.90286749      -1.94534324       0.36686907
O        4.54213000       0.86838000      12.18914000       0.07072698      -0.27121399      -0.04040265
O        3.16133000       3.30241000      12.18289000       0.11420722       0.36088995       0.04412207
O       -1.52712000       2.86122000      21.91262000      -0.15128099      -1.08508515      -0.73253636
O        1.15448000       2.68679000      21.74683000       0.54739297       0.31049766       0.07051007
O       -0.12425000       5.00255000      21.74350000      -0.43079312       0.95031426       0.17875887
O        1.65979000       4.23524000       2.92272000      -0.04372236       0.38228183      -0.56488653
O       -1.49895000       4.32177000       2.79289000       1.26337341      -2.24401100      -1.52146457
O       -0.00891000       1.45758000       2.77323000      -0.39205638       1.09142237       0.12738341
O        1.60650000       0.68432000       5.20312000       0.98307300       0.57174920      -0.74607651
O        4.72162000       0.67668000       5.28852000       1.71866328      -0.93283326      -0.28080095
O        3.32901000       3.45583000       5.17394000      -0.45923732       0.41834530      -0.13385242
O        4.28775000       2.63699000      14.65112000       1.51463082      -0.26253109       1.05656837
O        1.67550000       2.38362000      14.45442000       1.09028488       0.16722546       1.46323459
O        2.92324000       0.13416000      14.68349000       1.31221731      -0.79895979      -1.38252152
O        1.18216000       4.34517000      24.52813000       0.35952312       0.79871800      -2.26171400
O       -1.48295000       4.28192000      24.32617000      -0.94076970      -0.35623745      -0.27101293
O       -0.19665000       2.00312000      24.44987000       0.68256810      -0.29297235      -1.30235780
O        5.63434000       0.13729000      21.71151000       0.39081354      -0.04305694      -0.75016829
O        2.92063000       1.66169000       2.74635000      -0.33171500      -0.13307783      -1.47919226
O        0.18642000       3.32335000      11.97635000       0.13338175       1.63767583       1.39132863
O       -2.62953000       4.94826000       7.36684000       0.11995847      -0.77642424      -1.64558259
O        2.75823000       1.74033000      16.71517000       1.27180704      -0.00842505       1.17335779
O       -0.17690000       3.42595000      26.57464000      -0.25171010       0.31037057      -1.33091801
O        5.74938000       0.01231000       0.52267000       0.58118983      -0.74024019       1.45345683
O        3.35996000       1.71725000      10.04146000      -3.07367880      -1.54472240      -2.05973461
O       -0.43430000       3.52863000      19.53546000       2.41310725      -0.49009275      -1.29403906
O       -0.12021000       1.56177000      16.85524000       0.75944215       0.20152777       0.52030587
O        1.50104000       4.36079000      16.91241000      -0.75449737      -0.24334553       0.12040460
O       -1.68633000       4.44402000      16.73832000      -0.43743133      -0.96367894       2.89944709
O        2.75887000       3.37954000      26.58190000       0.85576009      -0.82010066       0.84775407
O        1.40429000       1.02650000      26.51819000      -2.16374035       0.14433231       0.92509207
O        4.09258000       0.97645000      26.38992000      -0.68030362       0.19910270       1.52428767
O        0.37603000       4.88148000       7.31302000      -0.44406395       0.02282672       0.29590866
O       -1.05993000       2.59100000       7.27679000      -0.00112088      -1.12535284       1.28028312
O        1.58381000       2.55345000       7.51330000       0.99824653      -1.32477302      -0.74990285
Zn       5.47129000       0.08284000      27.26172000       1.43058334      -0.08726442      -0.04343692
Zn       3.26447000       1.50478000       8.09061000       0.11258760       1.48454007       0.12311178
Zn      -0.26225000       3.43674000      17.47723000       1.02552611      -0.41487335       0.69467766
Zn      -0.07944000       0.21649000      23.77621000      -0.69525151      -0.60482431      -0.75510071
Zn       3.29755000       1.66375000       4.55733000      -0.56459133      -0.56495016       0.87398686
Zn       0.25295000       3.38288000      13.95994000      -2.02168607       0.89806602      -0.48149917
Zn       3.03535000       4.94032000      13.41574000      -0.03166033       0.70051261      -1.31881399
Zn       2.72320000       1.90320000      22.78171000       0.55369321      -0.42211341      -0.19325969
Zn       0.04924000       3.22715000       3.88279000       0.69653662       0.32972554      -0.23594144
Zn       0.20815000       0.05462000       9.15310000      -0.24587273      -0.06141906       2.96588757
Zn       2.78769000       1.69862000      18.74416000      -0.57261716       0.21509718      -0.35003196
Zn      -0.29565000       3.48720000      28.43232000       0.59071286      -2.44139696       0.23530467
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.39043101 magmom=72.0007268 free_energy=-552.39043103 stress="-0.03324478877578689 0.004793315206512843 0.0016862052441203616 0.004793315206512843 -0.03488863261660197 -0.002460316808287807 0.0016862052441203616 -0.002460316808287807 -0.04116164289494543" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43305000       0.79930000      15.63871000      -0.00240430      -0.22982929       1.91476628
Cr       4.39416000       0.96486000      15.73556000      -0.04257890      -1.28650887       0.43893432
Cr       2.97485000       3.42163000      15.75900000      -1.46742898       0.40357866       0.80370231
Cr       4.10811000       2.66666000      25.40295000       0.83616092      -2.17093564       1.46040381
Cr       1.32809000       2.59884000      25.41321000      -2.21502448       0.30234738      -0.31199035
Cr       2.68730000       0.06781000      25.55021000       0.13191939      -1.11308901      -1.41905457
Cr       1.84199000       4.09286000       6.24258000      -3.53308124       0.09882341       1.91525286
Cr      -1.12359000       4.10610000       6.25155000       0.11964670      -0.51451677      -0.94189237
Cr       0.31561000       1.54010000       6.32408000       0.55759903       0.45764936      -0.70866828
Cr       5.63423000       0.03106000      18.18678000       1.04495026       1.09927177       1.36288221
Cr       2.67695000       1.74296000      27.73977000      -0.67756780       0.54847771       3.34826211
Cr       0.28703000       3.41111000       8.59295000      -1.11840127      -1.59581945       0.26117057
Cr      -2.74684000       5.06390000       4.02865000      -0.11573933      -2.19605845      -3.66129278
Cr       3.14653000       1.69226000      13.25062000       0.09112659       0.45050709       3.36002337
Cr      -0.15352000       3.47824000      23.13988000       1.53162339       1.02642209      -2.21812132
Cr      -0.19870000       1.83971000      20.61455000      -0.09283590       0.01505320       0.03939562
Cr       1.22784000       4.38146000      20.44732000      -0.36191388      -1.18749470       3.26788700
Cr      -1.66446000       4.52062000      20.64750000       0.03737470      -1.70142647       0.14376327
Cr       2.85545000       3.28918000       1.65168000       0.38421092       0.92711228       0.27210630
Cr       1.44115000       0.68291000       1.66526000      -0.15021047       1.90202910       0.15973962
Cr       4.32468000       0.87450000       1.59158000       1.54968849      -2.46328798       2.02899655
Cr       0.24386000       5.09036000      11.02526000       0.34944949      -1.31412115      -0.28845801
Cr      -1.23999000       2.50056000      11.07400000      -0.15507647       2.49993964      -1.63562233
Cr       1.68103000       2.50182000      11.00714000       0.45695249      -0.28212936      -0.33782327
O        1.17249000       0.95804000      19.37887000      -0.96369568      -1.07224003       0.10142793
O        4.43838000       0.86124000      19.41977000      -1.21051748       0.59688622      -0.51478648
O        2.67836000       3.49492000      19.67696000       1.85124441       0.99771771      -2.41474935
O        4.21188000       2.39231000       0.54833000      -0.58589237       1.64404638      -2.45937537
O        1.48096000       2.43008000       0.53036000      -0.92956681       0.64802690      -0.27229613
O        2.88244000       0.33265000       0.38427000      -0.40706288      -3.08720325      -0.20879023
O        1.49734000       4.12162000       9.85697000       1.90817840       0.60724595       0.24095748
O       -1.12283000       4.24785000       9.80196000       0.33212737      -0.81873823       0.54074965
O        0.14034000       1.84556000       9.88575000       0.89138399      -0.04560133      -0.10465069
O        1.92789000       0.82373000      12.15107000      -2.07074677       0.36292576      -0.25664468
O        4.61124000       1.04167000      12.22001000       0.18037739      -2.22491470       0.35839466
O        3.08413000       3.33636000      12.19129000       0.41519262      -0.26762663      -0.44009533
O       -1.41690000       2.86525000      21.89772000      -1.57104368      -0.54764040      -0.66329667
O        1.18512000       2.61752000      21.67469000       0.05240277       1.57761565       1.69878453
O        2.86108000       0.07991000      21.63185000      -0.80089692      -0.11990968       1.46831999
O        1.65617000       4.15943000       2.83689000      -0.52831833       1.04726719       0.52290439
O       -1.40768000       4.04659000       2.67256000      -1.52531460       1.40759074       0.09104919
O       -0.16214000       1.42765000       2.85635000       1.45770913       0.56851907      -0.27861288
O        1.64653000       0.66975000       5.11871000       0.19671476      -0.21875432       0.77115540
O        4.82983000       0.57636000       5.19475000      -1.38867625       2.10280628       1.01295159
O        3.15244000       3.45523000       5.19358000       2.75049598      -0.36872765      -1.03341378
O        4.36596000       2.62693000      14.61511000       0.52539838      -0.20489057       0.08677630
O        1.74820000       2.34966000      14.60021000      -0.34689358       1.01683384      -1.05023710
O        3.11905000       0.08783000      14.58652000      -1.27754092       0.42747523      -0.43624993
O        1.23040000       4.31161000      24.45395000      -0.56107838       0.01091742      -0.49767074
O       -1.54418000       4.20634000      24.41719000       0.55799658       1.21517877      -1.56733464
O       -0.23464000       1.95151000      24.37457000      -0.01725120      -0.28465302      -0.79616172
O        5.66695000       0.19248000      21.67267000       0.26542953      -0.73337059       0.40635183
O        2.88229000       1.58102000       2.67521000      -0.11159681       0.37088069       0.32116804
O        0.28630000       3.36553000      12.05016000      -0.61239677       0.06067827      -0.73227451
O       -2.60648000       4.87152000       7.23844000      -0.07806540       1.08733075       1.55442689
O        2.84675000       1.68054000      16.74034000       0.25685806       0.39730138       0.25789227
O       -0.28285000       3.42343000      26.49776000       0.36121630       0.28183897       0.28675044
O       -0.04339000       0.15985000       0.62093000      -0.73780831      -2.37107188      -1.66681215
O        3.25685000       1.55415000       9.94394000      -0.45411097       1.62845665       2.50188731
O       -0.28374000       3.41369000      19.43530000       0.21902153       1.47608899       1.18760478
O       -0.25031000       1.64159000      16.94830000       1.70773959      -0.32594709      -0.50638101
O        1.42422000       4.40821000      16.89864000       0.22578438      -0.65531549      -0.99061302
O       -1.86662000       4.47962000      17.07772000       1.28129029      -0.87980907      -2.62478742
O        2.64440000       3.28458000      26.61516000       0.65562859       0.86706661      -0.51105965
O        1.14629000       0.93514000      26.40981000       1.98891551       0.41106695       0.94914291
O        3.95270000       1.01144000      26.59276000       1.52373089      -0.03952023      -0.90841657
O        0.29835000       4.86624000       7.34037000       0.47684477       0.04127110      -0.25830936
O       -1.00120000       2.42759000       7.36590000      -0.59586693       0.87793449       0.52820551
O        1.75791000       2.50505000       7.39078000      -1.58726222       0.03326110       0.20363605
Zn       5.55691000       0.03517000      27.19696000      -0.08779657       0.20926779       1.15569025
Zn       3.21563000       1.54237000       8.15816000       0.64162419       0.17289406      -2.35054528
Zn      -0.27421000       3.50674000      17.53029000       0.95211134      -0.14762334       0.14396409
Zn       5.83129000       0.06048000      23.79349000      -1.22010617       0.81198942      -1.47604782
Zn       3.22465000       1.71865000       4.60839000       0.28288021      -1.73390099      -0.75583751
Zn       0.25937000       3.37466000      13.90669000      -0.76787805      -0.07416102       1.13016517
Zn      -2.82265000       4.93660000      13.48907000      -0.05059053       0.42631274      -1.25334426
Zn       2.80400000       1.87164000      22.78208000      -0.06488008      -0.15666215      -0.70201338
Zn       0.01302000       3.24957000       3.76957000       0.92256697       0.03555144       0.02221823
Zn       0.19119000       0.05800000       9.20162000       0.00615262      -0.89065835       0.16456617
Zn       2.83841000       1.75455000      18.75576000      -0.38647897       0.32015092       0.44317280
Zn      -0.23520000       3.47066000      28.50188000       0.89387771      -0.14744990       0.32613090
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.17345764 magmom=72.0001636 free_energy=-552.17345764 stress="-0.039734349667524496 -0.004623399464099833 -0.01248387485520348 -0.004623399464099833 -0.041947335722850664 0.004204987560382706 -0.01248387485520348 0.004204987560382706 -0.03692904607511797" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40971000       0.82039000      15.73912000       0.73610106       0.27408001       0.75342221
Cr       4.41866000       0.96062000      15.76034000       1.12520033      -1.82071477      -0.42433634
Cr       2.99233000       3.36814000      15.74492000      -0.50981377       1.57415602       0.74724354
Cr       4.15162000       2.64678000      25.52354000       0.17091409      -0.58049485      -2.82027863
Cr       1.13630000       2.42489000      25.38443000       0.87653609       3.46771482      -1.82384684
Cr       2.77800000       0.05056000      25.49449000      -0.32905857       0.85085494      -1.08269696
Cr       1.67270000       4.15779000       6.28778000       2.93883792       0.59582897      -1.25094835
Cr      -1.12204000       3.99908000       6.22177000      -0.66359301       1.95823084       0.66280550
Cr       0.33929000       1.68322000       6.25074000      -1.01481777      -3.37865079      -0.95341535
Cr       5.61973000       0.05906000      18.26213000       1.26351667       0.59923402      -2.06761785
Cr       2.61031000       1.93764000      27.81591000       0.60313840      -2.75508590       0.24217786
Cr       0.29186000       3.30980000       8.62785000       0.00450981       1.44399224       1.11060111
Cr       3.03249000       4.95473000       3.92168000       1.23495758       0.97816367       0.64401086
Cr       3.02314000       1.66020000      13.33141000       2.15121811       0.93059736      -0.70342112
Cr      -0.16397000       3.51568000      23.01414000      -0.84348093       0.77836250       0.15457527
Cr      -0.23587000       1.84620000      20.64688000       0.83859936      -0.30860450       0.11282822
Cr       1.17730000       4.37429000      20.54868000       4.86862384       1.63293725       3.06222999
Cr      -1.57040000       4.56816000      20.72129000      -1.89814326      -3.05657000      -1.33793795
Cr       2.76787000       3.27529000       1.61120000       0.97018937       1.75583850      -0.52701302
Cr       1.43427000       0.71274000       1.65245000      -0.94604748      -0.18943290      -1.77305028
Cr       4.42543000       0.85667000       1.54827000      -1.02348025      -0.54365113      -0.47210086
Cr       0.30636000       5.08038000      11.11136000       0.65748863      -0.10926391      -1.13404964
Cr      -1.20373000       2.47794000      11.11001000      -0.68813946       1.60101630      -0.73597262
Cr       1.72884000       2.45631000      10.98175000      -2.74422251       1.77069863       1.63054889
O        1.07338000       0.82156000      19.47753000       1.07148307       2.33902405      -1.17447503
O        4.32326000       0.92086000      19.43447000       0.63474324      -0.55882099       0.53354827
O        2.86551000       3.72353000      19.45166000      -1.08879976      -1.47599707       0.63484470
O        4.09044000       2.50601000       0.33629000       0.16236714      -0.36117116       0.45386069
O        1.27166000       2.66099000       0.56029000       3.24870202      -3.36263712       0.45739118
O        2.86352000       0.22273000       0.31830000      -0.33892538       0.72108926       0.68668685
O        1.68717000       4.13919000       9.80536000      -1.36842346      -0.95128855       0.67526434
O       -0.93656000       4.36589000       9.88241000      -1.46252206      -2.11335789      -1.10436112
O        0.19135000       1.84804000       9.84637000       0.24842087      -0.60629438       0.68164660
O        1.82262000       0.73627000      12.13971000      -1.09545519       0.93522955       0.73592352
O        4.62130000       0.90300000      12.26230000      -0.23124258      -0.00090525       0.37662883
O        3.09675000       3.23580000      12.11168000       0.83025758       0.43566523       1.18036975
O       -1.51210000       2.78983000      21.75789000      -0.55561391       0.34591494       0.36505808
O        1.13700000       2.86226000      21.86494000       1.06934748      -1.22630650      -1.69391200
O        2.76523000       0.16379000      21.76238000       1.02108632      -0.86964967       0.61296571
O        1.61414000       4.29521000       2.79337000      -1.36161298       0.01349027       0.05804678
O       -1.62961000       4.05575000       2.54489000       1.07616508       0.96347465       1.39851271
O       -0.05391000       1.44332000       2.83958000       0.33146290       0.41857726      -1.00292217
O        1.66853000       0.57744000       5.15666000      -0.47540581       0.38398726      -0.80953872
O        4.82552000       0.75768000       5.26220000      -0.81618066      -0.52548071      -0.76182893
O        3.38691000       3.48299000       5.09231000      -2.28554049      -1.18028321      -0.03133797
O       -1.40435000       2.54624000      14.66133000      -0.83597043       0.47731925      -0.31655227
O        1.80885000       2.41451000      14.61905000      -2.16340839      -0.01420319      -0.65400258
O        3.10105000       0.17360000      14.43428000      -0.74330810      -1.21265824       2.39623074
O        1.12691000       4.26019000      24.25705000       0.51254072      -0.12507938       1.04697816
O       -1.46642000       4.23926000      24.27688000      -0.73363264       0.19466370       0.71241519
O       -0.26448000       1.91335000      24.13874000      -0.40799855      -0.77871688       1.07849101
O        5.77006000       0.12878000      21.61585000      -1.33582630       0.37758438       1.33603529
O        2.85429000       1.59026000       2.50538000       1.03467057      -0.01966769       2.29383962
O        0.27990000       3.41825000      11.96981000       0.00596285      -1.63080885       1.45278908
O       -2.60716000       4.96222000       7.22691000      -0.39022517       0.10647654       0.67479642
O        3.01143000       1.70639000      16.79281000      -1.38205970       0.01177327       0.33797195
O       -0.29605000       3.47921000      26.38353000       1.18043263      -0.63874059       2.01972747
O        2.91003000       4.99663000       0.55703000      -0.45324875       0.70355225      -0.17383975
O        3.07216000       1.65365000      10.15641000       3.81550576      -0.76593398      -3.52322486
O       -0.06045000       3.53290000      19.58831000      -2.86767712      -0.91129748      -2.04748877
O       -0.05209000       1.63072000      16.95069000       0.09664078      -0.19497380      -0.41035475
O        1.40521000       4.35287000      16.70877000       0.78745769      -0.26373625       0.99938141
O       -1.86275000       4.39420000      16.99501000       0.89659865       0.35975703      -0.25806390
O        2.65940000       3.35428000      26.50818000      -0.87396991      -0.62757908      -0.28704002
O        1.21017000       0.97757000      26.49364000       1.77608037      -0.90888118       1.25127817
O        4.05704000       1.06267000      26.65539000      -0.67412889      -0.18675594      -0.33965806
O        0.26330000       4.77531000       7.31418000      -0.26924028       1.39738593       1.23574883
O       -1.00132000       2.42302000       7.50304000      -0.94423043       0.24846916      -0.90781493
O        1.64169000       2.48304000       7.26612000       1.38719227       0.68154451       1.88196073
Zn       2.69233000       5.10311000      27.18905000      -0.52702739       0.71607905       0.93349261
Zn       3.19378000       1.60008000       8.13784000       0.13485802      -0.39242426       0.01413504
Zn      -0.22920000       3.56780000      17.59328000       0.84785685      -0.56086845      -0.01107081
Zn       2.82242000       5.04343000      23.73053000      -0.68800019       0.77896927      -1.18012978
Zn       3.15801000       1.68202000       4.64411000      -0.00173017      -1.11456235      -0.81621274
Zn       0.21029000       3.37369000      13.90234000      -0.14364223       0.19587713       0.34256005
Zn      -2.77881000       4.95990000      13.51024000      -0.13226072       0.29331436      -1.70633056
Zn       2.88813000       1.83205000      22.75845000      -0.40814596       0.61927727       0.46955820
Zn       0.02078000       3.28191000       3.65704000       0.12620878       0.22781152       0.30933998
Zn       0.18222000       0.01610000       9.28719000       1.85709306      -0.20056322      -0.69773200
Zn       2.86285000       1.83700000      18.77954000      -1.67611563       0.82895039       0.16170215
Zn      -0.14120000       3.44853000      28.58478000      -3.20059967       1.53514852      -1.90504602
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.16620262 magmom=72.0021065 free_energy=-551.16620262 stress="-0.032183155078279374 0.0017136506140184966 0.0019002578245585645 0.0017136506140184966 -0.04093587698043634 0.005913549578116526 0.0019002578245585645 0.005913549578116526 -0.039946239115661926" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43342000       0.85377000      15.87983000       2.85004370       0.31875386      -3.42705837
Cr       4.51598000       0.84197000      15.80773000      -1.19370362       0.80206929      -1.73946837
Cr       2.96129000       3.40342000      15.77011000       0.25050133      -0.75697037      -1.71341145
Cr       4.19343000       2.58104000      25.54234000      -0.11732287       1.74106616      -2.73367148
Cr       1.00650000       2.40554000      25.32045000       3.29553957       1.05100122       0.46340525
Cr       2.84590000       0.07905000      25.40400000      -0.50584058      -0.07768282       0.59515154
Cr       1.63329000       4.25741000       6.29778000       1.92707261      -0.19081350       0.23929419
Cr      -1.16759000       4.00813000       6.21985000      -1.26991091       2.05252453       0.41436370
Cr       0.32410000       1.65179000       6.14654000      -0.58118452      -0.41545820       1.99993051
Cr       5.64670000       0.14636000      18.24452000       1.70569885      -0.22183216      -1.09167854
Cr       2.57796000       1.97910000      27.90898000       2.46809454      -3.14177910      -5.11656885
Cr       0.27864000       3.27211000       8.71700000       0.20188315       0.37530771      -2.15255735
Cr       2.97159000       4.89252000       3.82510000      -0.14585404       3.03498685       3.05554913
Cr       3.00970000       1.66424000      13.42005000       0.82394414      -0.69023275       0.06730225
Cr      -0.21551000       3.57972000      22.90468000      -0.78059803      -2.91246074       3.17752965
Cr      -0.22942000       1.83534000      20.66223000       1.14654291       1.22046325      -0.53876896
Cr       1.36959000       4.43495000      20.75527000      -1.45233859      -0.48427015      -2.60666046
Cr      -1.59697000       4.47115000      20.70837000      -0.70282404       0.39575153      -2.36077801
Cr       2.75838000       3.32175000       1.52172000       1.61568346      -0.21299352       3.32566028
Cr       1.41045000       0.75529000       1.53486000       0.76671902      -1.06219802       1.47898232
Cr       4.46789000       0.79731000       1.50026000      -2.82993683       2.04595839       0.03011755
Cr       0.38532000       5.02462000      11.12637000      -1.65337816       0.39425955      -1.17204126
Cr      -1.20428000       2.54656000      11.09520000      -0.30288003      -1.28647850      -0.31656888
Cr       1.70073000       2.47466000      11.02886000       2.23954791      -1.52720341       1.22642181
O        1.14284000       0.98879000      19.44742000      -0.08585119      -0.24060163       0.51059629
O        4.31073000       0.90965000      19.57084000       0.61135389      -0.00574914      -0.87913332
O        2.92147000       3.73448000      19.36218000      -0.95786997       0.67575241       1.84258177
O        4.05620000       2.60492000       0.21147000       1.48183558      -0.42980772       2.28777206
O        1.38291000       2.38583000       0.61575000      -2.35536358       2.10416494      -0.83395306
O        2.79994000       0.20234000       0.40011000       1.72166959       0.35817535      -0.53457153
O        1.65523000       4.00076000       9.90679000       0.32462512       1.84477403      -0.15191869
O       -0.94646000       4.10398000       9.85536000      -1.61418245       1.06382388       1.27788470
O        0.29186000       1.79681000       9.94615000      -0.68881907      -1.14063013      -0.49463891
O        1.59452000       0.87906000      12.23186000       1.72981006      -0.74592295      -0.25657280
O        4.52055000       0.76719000      12.33708000       0.15995455       0.85921799       0.14281049
O        3.23132000       3.13848000      12.18808000      -0.80981437       1.36582829       0.36509353
O        4.25449000       2.78471000      21.65460000       0.68247789      -0.10287340       0.83930550
O        1.21602000       2.91156000      21.79664000       0.06104137      -2.52480353       0.17979828
O        2.78969000       0.00850000      21.93034000       0.29174408       1.82529539      -1.94334393
O        1.42211000       4.45802000       2.73061000       0.64023960      -1.77886899      -0.48429400
O       -1.74126000       4.28451000       2.59484000       2.03724838      -2.32134768      -1.00571843
O        0.09434000       1.47388000       2.63582000      -2.12242590       0.56916006       1.03250010
O        1.54835000       0.51517000       5.09443000      -0.27568081       0.41672347      -0.84885802
O        4.69728000       0.85161000       5.26538000       0.87359727      -1.69892600      -0.96138805
O        3.27258000       3.41463000       5.03330000      -1.43232272       0.36354032       0.86927545
O        4.41349000       2.48949000      14.69050000      -0.45686084      -0.05126973      -0.08174138
O        1.60531000       2.46248000      14.53749000       1.44235323      -0.57780598       1.71664312
O        2.93501000       0.16500000      14.69272000       0.35849225      -0.58719706       0.16881205
O        1.04081000       4.15080000      24.24157000       1.16790482      -0.08843731      -0.16408819
O       -1.45758000       4.30552000      24.24853000      -1.10347802      -0.40723324       0.60466749
O       -0.34646000       1.83081000      24.08795000      -0.42667039      -0.16339597       0.54604459
O        5.72191000       0.11866000      21.70939000       0.91678265       0.86929147       0.06857912
O        2.96958000       1.63247000       2.63056000      -0.35964288       0.19381882      -1.24907693
O        0.26591000       3.26466000      12.03821000       0.27521729       1.51190016       0.77686864
O       -2.69228000       5.09348000       7.31243000      -0.03981185      -0.62721026      -0.55929185
O        2.98262000       1.73256000      16.82954000       0.04337419      -0.35680039       0.60014847
O       -0.13406000       3.43328000      26.51974000      -0.82135745      -0.16240273      -0.08538501
O        2.79854000       4.85230000       0.45561000       0.25940006       2.30359072       0.07464467
O        3.37107000       1.74024000       9.95183000      -1.34697300      -1.35450363       1.52527697
O       -0.19035000       3.59422000      19.61004000       0.66020191      -0.16191679       0.25457355
O        0.13245000       1.58122000      16.89345000      -3.07054851       1.43584765       2.01546817
O        1.55485000       4.25465000      16.70929000      -0.62929072       0.70603657       2.66501696
O       -1.65418000       4.34935000      16.80497000      -0.43606186      -0.12662772       2.24229862
O        2.55709000       3.35650000      26.28372000       0.46893032      -0.43590735       1.63678457
O        1.61714000       0.95620000      26.65462000      -3.56105219      -0.62831146      -1.07887313
O        4.09587000       1.04484000      26.58144000       0.50266316      -0.80934442       0.79921565
O        0.21563000       4.84533000       7.43463000      -0.23878265       0.18312658      -0.24724734
O       -1.07424000       2.54073000       7.43951000       0.56774868      -0.68137439      -0.49215587
O        1.60945000       2.59703000       7.37687000       0.21496350      -0.43754324      -0.65849248
Zn       2.75148000       5.08920000      27.22738000       0.09966645       0.54050302      -1.78521836
Zn       3.18210000       1.64068000       8.10210000       0.07504643      -0.18156216      -0.93381017
Zn      -0.13325000       3.60256000      17.65047000       0.79020207      -0.78218873      -0.28327363
Zn       2.72319000       4.95244000      23.60767000       0.04424106       0.43994910       0.93403958
Zn       3.08266000       1.57596000       4.62913000      -0.51531026      -0.18701086      -0.83210542
Zn       0.13861000       3.38510000      13.93119000      -1.37613909       0.98331247       0.68758706
Zn      -2.74050000       5.00025000      13.46163000      -0.20338254       0.32206929      -0.95059027
Zn       2.95229000       1.82119000      22.76515000      -0.88748422       0.19834472       0.91651854
Zn       0.03806000       3.32411000       3.56773000      -0.48566981      -0.22758185       0.81426717
Zn      -2.69260000       5.06007000       9.34128000       0.51840720      -0.38243741      -0.31236203
Zn       2.80720000       1.95675000      18.80992000      -0.41884910      -1.04363768      -0.30866908
Zn      -0.15529000       3.47505000      28.59218000      -0.05699622      -0.13478426      -1.08277741
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.13689534 magmom=72.0009283 free_energy=-552.13689535 stress="-0.04011407742169446 -0.002145631608507366 0.003149465679682948 -0.002145631608507366 -0.03179741705041362 -0.0008548587666421652 0.003149465679682948 -0.0008548587666421652 -0.03721084819614415" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55026000       0.90086000      15.90098000      -2.25411906      -0.64571236       1.08331759
Cr       4.56512000       0.74835000      15.84053000      -2.13260552       1.60784580      -0.17072357
Cr       2.93856000       3.42612000      15.74609000       1.05020983       0.10297812       2.10534913
Cr       4.20394000       2.58428000      25.44052000      -0.80478654       0.30967066      -0.04469111
Cr       1.07224000       2.46482000      25.30382000       1.87235150      -1.57487722       1.02474124
Cr       2.86941000       0.10610000      25.35331000      -1.18146566      -1.22376023       0.81770340
Cr       1.69660000       4.32910000       6.32815000      -2.33321812      -2.45113360       0.68440795
Cr      -1.28202000       4.14394000       6.24206000      -0.29035957      -0.04476600      -0.94268757
Cr       0.26127000       1.58423000       6.14704000      -0.37517889       2.39845265       0.68658317
Cr       5.74895000       0.24486000      18.16322000       1.84850533      -1.48903785       4.21889774
Cr       2.68728000       1.87030000      27.82905000       0.75649416      -1.56876700      -1.94789366
Cr       0.26516000       3.27588000       8.70034000      -0.39756082      -0.07086518      -0.20030168
Cr       2.93001000       4.98303000       3.85400000      -0.22087939      -0.85624871      -3.43217215
Cr       3.04819000       1.64197000      13.49161000      -0.61051742      -0.73570138       0.36643492
Cr      -0.31963000       3.51654000      22.97368000       1.01784839      -0.91038299      -0.11921821
Cr      -0.15398000       1.87987000      20.62625000       0.09662763       0.76510399       0.05769299
Cr       1.50253000       4.46058000      20.82327000      -3.92219277      -1.44635202      -1.39978501
Cr      -1.66401000       4.39612000      20.56801000       2.51574870       2.57786775       1.85336834
Cr       2.84549000       3.33017000       1.50079000      -1.58618277       1.89620494       1.74970458
Cr       1.42924000       0.75335000       1.47593000      -1.20303197       0.68650655       1.47710800
Cr       4.34845000       0.85029000       1.46927000       1.51279292       0.87348518       1.81939797
Cr       0.37448000       5.00488000      11.08781000      -2.18340859       0.86675184       0.90838946
Cr      -1.23229000       2.53600000      11.09265000       0.90585216      -2.68537664       2.38940563
Cr       1.76008000       2.43111000      11.15085000      -0.06985787       0.68512067      -0.87777078
O        1.19102000       1.10113000      19.47719000      -0.24978725      -1.60946440      -0.83073759
O        4.43554000       0.88752000      19.54212000      -0.72026665       0.65050644      -1.04656718
O        2.80185000       3.80061000      19.61185000      -0.41233025      -0.85754164      -2.73164349
O        4.19647000       2.56065000       0.49175000      -0.52864242      -0.60920337      -2.05878554
O        1.19122000       2.40743000       0.46139000       3.49451313      -0.15898488      -0.06928084
O        2.98109000       0.28822000       0.38833000      -2.22763130      -1.27910949      -1.72893850
O        1.57329000       4.07434000      10.01240000       1.43862726      -0.65998057      -1.39860395
O       -1.15906000       3.97046000       9.96257000       1.77637383       1.48795735      -1.08538474
O        0.31152000       1.66301000      10.00109000       0.02961911       1.41898178      -0.32271940
O        1.73664000       0.92261000      12.27845000       0.03585566      -1.88387426      -0.14238651
O        4.39486000       0.80796000      12.38111000       1.72259835       0.19876452      -0.22613803
O        3.25118000       3.20943000      12.31450000      -0.59401132       0.30674105      -0.46133785
O       -1.59177000       2.80452000      21.70235000      -0.17257988      -0.32709615       0.50016887
O        1.30778000       2.60060000      21.67736000      -0.26978190       1.89904847       1.66578993
O       -0.07275000       5.08602000      21.78835000      -0.49598091       0.18191384       0.99917517
O        1.42710000       4.34273000       2.57506000       0.99568201      -0.62446005       0.99494890
O       -1.60367000       4.22112000       2.58519000      -0.46605586       0.00791461       0.24048002
O       -0.07885000       1.50787000       2.58930000       0.81574945      -0.42064753       1.44055379
O        1.36005000       0.53610000       4.94185000       1.90935422       0.63470843       1.32916720
O        4.73509000       0.65505000       5.11320000      -1.67202639       2.18820901       0.50509907
O        2.88713000       3.43669000       5.14033000       1.74964101      -0.69264055      -0.19627284
O        4.23267000       2.40415000      14.71861000       2.49478649       0.59105012       0.28713241
O        1.63771000       2.41342000      14.73420000      -0.72378167       1.01456647      -1.26037071
O        2.90987000       0.03058000      14.96993000       1.62429013      -0.35792765      -2.39265578
O        1.08664000       4.03467000      24.23370000      -0.14482493       1.13483398      -0.35866519
O       -1.58690000       4.28118000      24.36008000       0.30396638      -0.16644950      -0.66037913
O       -0.46003000       1.78177000      24.20090000       1.10385680       0.27066096      -0.37176745
O       -0.08331000       0.27300000      21.73978000       0.64978926      -0.69869203      -0.13388091
O        2.99057000       1.69489000       2.53866000      -1.67102970      -0.37654496       1.09816114
O        0.29627000       3.33579000      12.14526000      -0.30061650      -0.09714630      -0.39196883
O       -2.77195000       5.10460000       7.29129000       1.12326987      -0.18141473       1.13022546
O        2.94526000       1.72374000      16.87488000       1.03420999       0.49750707       0.43970853
O       -0.12212000       3.33145000      26.53180000      -1.16325896       0.72532053      -0.80963332
O        2.77248000       5.09419000       0.47565000       1.53532751      -1.11956328      -0.30158568
O        3.48458000       1.54520000       9.98349000      -2.33451943       0.15982254       0.03392528
O       -0.25627000       3.57941000      19.63699000       1.60004495      -0.21423651      -1.07248941
O       -0.08779000       1.72171000      17.01778000       0.81041088      -0.17788535      -1.75852837
O        1.67482000       4.27299000      17.08664000      -0.30889479       0.32601110      -1.85446815
O       -1.60429000       4.37221000      16.94038000      -1.26718592       0.51969012       0.20356369
O        2.55550000       3.20860000      26.34830000       0.95462634       0.83981088       1.40082752
O        1.51247000       0.82030000      26.60958000      -0.33235012       0.99034565      -0.68768764
O        4.14448000       0.94970000      26.54681000      -0.22794842       0.71321442       0.23395707
O        0.13099000       4.89689000       7.49364000       0.09250082       0.05791600      -0.57771687
O       -1.01312000       2.57286000       7.26703000      -0.73742443      -0.88062535       1.30685369
O        1.59957000       2.66802000       7.40403000       0.06038588      -1.00141904      -0.21014455
Zn       2.81340000       5.10526000      27.18640000      -0.46499288      -0.32338345      -0.86180578
Zn       3.17510000       1.67344000       8.02811000       0.40182898       0.16074746       0.17955047
Zn       0.00215000       3.59318000      17.70225000      -0.69416676      -0.30323427       0.48133647
Zn       2.62864000       4.89114000      23.53237000       0.69403595       0.92978697       1.02285491
Zn       2.98987000       1.46436000       4.56446000       0.60303487       1.02018725      -1.07276667
Zn       0.01142000       3.43674000      14.00823000      -0.11086159      -0.54304072       1.14397474
Zn      -2.71543000       5.05672000      13.37138000      -0.52063766       0.14143499      -0.30019294
Zn       2.96741000       1.82310000      22.82180000      -1.13810360      -0.60707224      -0.22157267
Zn       0.03021000       3.35277000       3.52586000      -0.44286117      -0.45513406       0.14914593
Zn      -2.58530000       4.97841000       9.36471000      -1.43876467       0.32863023      -0.65628691
Zn       2.72846000       2.03126000      18.82822000       0.94066047      -0.72523960       0.48531949
Zn      -0.18042000       3.50658000      28.53553000      -0.17478796       0.88872268      -1.12581467
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.28623366 magmom=72.0025228 free_energy=-553.28623366 stress="-0.03677892708893534 -0.006777160600794607 0.003505340202252938 -0.006777160600794607 -0.03779822088513651 -0.0003988364027437443 0.003505340202252938 -0.0003988364027437443 -0.03681115935305002" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55388000       0.90048000      15.97832000      -0.69885790       0.34186709      -1.21208033
Cr       4.52866000       0.74376000      15.93845000      -0.80778666       1.81286965      -0.88167573
Cr       2.98467000       3.45338000      15.83237000       0.49658932      -0.18238361       0.81196646
Cr       4.15143000       2.59013000      25.36727000      -0.22875077      -0.68307607       0.04944584
Cr       1.25545000       2.46682000      25.37177000      -1.02100407       1.18012844      -0.85223626
Cr       2.81683000       0.07004000      25.37254000      -0.70898166      -1.85030477      -1.12331869
Cr       1.63699000       4.27098000       6.39768000      -0.83240221      -0.23890742      -1.38407252
Cr      -1.39415000       4.25538000       6.22663000       0.96010008      -2.76600841      -0.41139947
Cr       0.17669000       1.64987000       6.19902000      -0.09419644       0.53919530      -0.65777543
Cr       0.01001000       0.28724000      18.21215000      -3.52698522      -1.22221804       0.82853600
Cr       2.84526000       1.69750000      27.71330000      -0.73299860       0.76173597       0.08835067
Cr       0.24073000       3.27999000       8.66626000       0.15010615       0.22083925       0.96816046
Cr       2.88891000       5.03790000       3.75852000       0.78019694      -2.50950967       3.71633456
Cr       3.07573000       1.58445000      13.57493000       0.57430673       0.71724825      -0.22530848
Cr      -0.35089000       3.39697000      23.05876000       2.52126803       0.98009085      -0.90231575
Cr      -0.06368000       1.94748000      20.58008000      -1.36717585      -2.15905437       1.17852808
Cr       1.40324000       4.41325000      20.79144000       0.15241464       0.90903696      -1.45523124
Cr      -1.60368000       4.44640000      20.49395000       0.94703151      -0.56199268       2.60730053
Cr       2.86276000       3.38086000       1.50368000       0.37689646      -0.35105448      -1.58641212
Cr       1.40520000       0.78705000       1.48631000       0.01791972       1.16289393       0.04213598
Cr       4.28558000       0.92566000       1.52243000       1.48928812      -2.54367194       0.33038878
Cr       0.27133000       5.00674000      11.09838000       1.12035583      -1.55497279       0.28669553
Cr      -1.21745000       2.39966000      11.19319000       0.59758187       1.33295998      -0.90564179
Cr       1.80328000       2.41259000      11.22892000      -1.62323039       1.13192988      -2.01140251
O        1.19743000       0.94510000      19.44361000       2.09530701       1.64264837       0.51421053
O        4.45471000       0.96377000      19.36110000      -0.33488564       0.65731306       1.36699150
O        2.70561000       3.82160000      19.48980000       1.49279118      -0.22133771      -0.02801493
O        4.21880000       2.44201000       0.42300000       0.00642092       0.71561843      -1.34216388
O        1.52408000       2.52613000       0.26821000      -0.82943443      -0.42329201       1.07722282
O        2.91521000       0.17907000       0.18484000      -0.17422102       0.85710042       2.53071078
O        1.65012000       4.08920000       9.91293000      -0.12895780      -0.47410857       0.19789080
O       -1.02033000       4.01224000       9.98273000      -0.49455599      -0.07871519      -0.20874206
O        0.32287000       1.80174000       9.99297000      -0.26479997      -1.21302721      -0.07528864
O        1.92741000       0.71241000      12.27435000      -1.80474495       0.57383307       0.66478259
O        4.50375000       0.89555000      12.36244000       0.54267086      -1.00056375       0.48802562
O        3.16702000       3.24112000      12.33727000       0.64265981      -0.68777091       0.33611193
O       -1.51836000       2.79063000      21.77632000      -1.29112683      -0.66125671      -1.56943799
O        1.27204000       2.65907000      21.83020000      -0.08339296       1.28286059       0.37379625
O       -0.07135000       5.07986000      21.77721000      -0.98354010       0.18497898       1.15691576
O        1.62522000       4.17825000       2.60070000      -2.71600449       1.56128986       0.55984657
O       -1.59596000       4.17529000       2.57089000       0.12726724       0.98608016       0.18422610
O       -0.15778000       1.44454000       2.75553000       0.68089713       2.01917473      -2.08840422
O        1.36782000       0.62473000       5.01359000      -0.80674422       0.09194161      -0.06720650
O        4.60001000       0.73950000       5.08015000       0.57496209      -0.21673594       0.77653845
O        2.85791000       3.42331000       5.20862000       1.69405160       0.18119121      -1.13396380
O        4.37759000       2.39447000      14.78948000      -0.65842114       0.15678149       0.05252194
O        1.66298000       2.47220000      14.77324000      -0.00721330      -0.31253466      -0.61360976
O        3.11762000       0.01489000      14.87185000      -1.31969987       1.16060903       0.09453471
O        1.05988000       4.07340000      24.22015000       0.49694934       0.56946603       0.84980296
O       -1.61574000       4.20588000      24.33420000      -0.41009135       0.92411425      -0.89799695
O       -0.35398000       1.82665000      24.26429000       0.76387315      -0.82156759      -0.55805325
O        0.08421000       0.28201000      21.65797000      -1.65287899      -1.16411208       0.29893565
O        2.74518000       1.69022000       2.51706000       1.21433112      -0.29099042       0.41537440
O        0.27894000       3.37753000      12.13448000      -0.21306749      -1.26576305       1.28510758
O       -2.70244000       5.06996000       7.35536000      -0.91855751       0.41651184       0.16947124
O        3.03199000       1.77105000      16.92552000      -0.42424971      -0.25209081       0.06875526
O       -0.29287000       3.35084000      26.31829000       1.25312369       0.90696326       1.65420433
O        0.00628000       0.06525000       0.51468000      -1.86487050      -0.96828158      -1.39610700
O        3.19114000       1.47268000      10.10011000       0.36435406       2.29139925      -1.17385769
O       -0.08020000       3.56021000      19.60353000       0.16297750       1.05640426       0.30955826
O       -0.16647000       1.82032000      16.91181000       2.70836212      -0.94950906       0.65421685
O        1.72059000       4.33936000      17.14729000      -0.56406791      -0.13385344      -1.67938275
O       -1.75035000       4.46160000      17.09620000       2.65169023      -0.72854224      -0.80680762
O        2.70815000       3.21622000      26.59441000      -0.18775074       0.95403254      -1.44333162
O        1.39691000       0.87661000      26.36692000       0.83231240       0.20027406       1.59056419
O        4.13910000       0.96038000      26.48121000       0.61190601      -0.62600925      -0.15315309
O        0.06771000       4.88550000       7.39804000       0.28307049       0.54199962       0.40398768
O       -1.07603000       2.51722000       7.30594000      -1.09697829       1.03068869       1.00051139
O        1.53741000       2.58171000       7.35744000       0.05351070      -0.41848344       0.19252737
Zn       2.83953000       5.10102000      27.10415000      -0.72398049      -0.06433679       0.54816899
Zn       3.18600000       1.70692000       7.96222000      -0.18586513      -0.62589172       0.87274770
Zn       0.10145000       3.56672000      17.75636000      -1.04757891       0.10588030      -1.10360413
Zn       2.57913000       4.88589000      23.51379000       1.28676302       1.40611529      -0.23661311
Zn       2.93321000       1.41310000       4.45529000       0.86866260       1.78341721       0.05709829
Zn      -0.11741000       3.45277000      14.12811000       1.18299180      -1.13226535      -1.02299472
Zn       0.23256000       0.00561000      13.27968000      -0.33677534      -0.32845435       0.06085616
Zn       2.92157000       1.79540000      22.87697000      -0.78415112      -0.46998602      -0.59351778
Zn       0.00069000       3.35576000       3.51241000      -0.03446354      -0.22423132       0.97348283
Zn      -2.55662000       4.92304000       9.35528000      -0.82722097       0.98103309       0.16132740
Zn       2.70183000       2.05000000      18.85642000       1.48746974      -1.11683533       0.07472632
Zn      -0.20023000       3.55644000      28.42731000       0.54922921      -2.83681548      -1.12247230
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.28413458 magmom=72.0214352 free_energy=-552.28557237 stress="-0.04313627498539517 -0.005346211259606966 0.004924649334890607 -0.005346211259606966 -0.034028879820239104 0.0007420676812811974 0.004924649334890607 0.0007420676812811974 -0.037839609199720015" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48981000       0.90716000      16.03195000       3.45820766      -0.62302996      -4.50575369
Cr       4.48696000       0.84997000      16.04544000       0.38673841       1.24225862      -2.69522471
Cr       3.06388000       3.47068000      15.96763000       0.11479639      -0.73098710      -2.25036793
Cr       4.09333000       2.55540000      25.34156000       3.09520969       0.16233469      -1.83751722
Cr       1.38620000       2.53688000      25.41083000      -2.35418792       1.20043782      -1.41771016
Cr      -0.23054000       5.07439000      25.37220000      -0.08937895       1.10907360      -1.73742603
Cr       1.52258000       4.18264000       6.38689000       1.75014486       0.91576763      -1.99499154
Cr      -1.43789000       4.21607000       6.20296000       1.16405394       0.03790473       1.22381018
Cr       0.07237000       1.75897000       6.22837000      -1.00876761      -1.31856605       0.07857427
Cr       0.01692000       0.29029000      18.26612000      -0.25595592      -1.32338273      -0.57258975
Cr       2.94589000       1.57650000      27.59747000      -1.31998667       1.49510481       2.92625526
Cr       0.22965000       3.28839000       8.69008000       0.28684612      -0.13285584       0.28232739
Cr       2.88957000       4.98100000       3.83044000       0.46670052       1.33080453       2.01092211
Cr       3.12577000       1.58036000      13.62258000      -0.40066819       1.43965313      -2.00954193
Cr      -0.25516000       3.34283000      23.07428000      -0.73247558       1.63297293      -0.79956457
Cr      -0.05365000       1.89056000      20.58030000      -0.46779083      -0.20915848       1.52500810
Cr       1.30250000       4.43644000      20.70598000       3.29310550       2.27410967       0.76675724
Cr      -1.49631000       4.48110000      20.55912000      -1.30942899      -1.71496356       1.21976393
Cr       2.87091000       3.42483000       1.43203000       1.00914536      -0.27320120       0.48720190
Cr       1.36495000       0.88822000       1.46834000      -0.88478668      -0.18821428      -0.57916151
Cr       4.31587000       0.87262000       1.57369000      -0.23387409      -0.56561353      -1.64594189
Cr       0.22368000       4.94533000      11.14048000       1.56609008       0.95295197       0.56883969
Cr      -1.16819000       2.33537000      11.24798000      -1.29872601       1.60561158      -1.73601411
Cr       1.74427000       2.46561000      11.19425000      -0.80183321      -0.26108895       0.12649759
O        1.45242000       0.98573000      19.49674000      -2.86704477      -0.51661290       0.70539202
O        4.46533000       1.09341000      19.42123000       0.88711931      -0.87623613       0.10741859
O        2.87625000       3.84551000      19.33471000      -0.20847119      -0.01996732       1.76249544
O        4.24197000       2.40792000       0.12939000       0.18242769      -0.24475691       2.12147482
O        1.75181000       2.50483000       0.27934000      -3.28301003      -0.39053914      -1.03844296
O        2.77579000       0.18301000       0.38229000       1.58358748      -0.98067888      -0.86400761
O        1.66546000       3.98838000       9.86609000      -0.41935320       0.95307677       0.95157157
O       -0.91876000       4.02707000       9.98579000      -2.64956714       0.14352323       0.15884272
O        0.27452000       1.78577000       9.98018000      -0.17611595      -1.23511016      -0.09329900
O        1.86830000       0.64318000      12.33418000       0.04427469       1.11147248      -0.20056894
O        4.64506000       0.83040000      12.38405000      -1.90162853      -0.76522974      -0.20819575
O        3.18877000       3.08311000      12.36231000       0.56746774       0.81922621      -0.17098295
O       -1.55250000       2.70738000      21.61555000       0.39437132      -0.00425014       0.72408016
O        1.19039000       2.96631000      21.98861000       1.81699137      -2.45822620      -1.76477938
O       -0.21324000       5.04628000      21.93784000       0.57584248       0.74884284      -0.34879950
O        1.48951000       4.28938000       2.67941000       0.12799998       0.16774057      -1.00583656
O       -1.65196000       4.34572000       2.57262000       0.11804063      -0.58623995       0.11128089
O       -0.09452000       1.54958000       2.62263000      -0.37096272       0.12548520       0.40230428
O        1.26506000       0.71275000       5.12240000       0.91829202       0.17722907      -1.30253282
O        4.57281000       0.80147000       5.22964000      -0.39814820      -1.06392048      -0.79353721
O        3.13565000       3.45663000       5.07388000      -1.86888771      -0.53514200      -0.24995108
O        4.37147000       2.39523000      14.90312000      -0.00642304       0.90214116      -0.17865369
O        1.72890000       2.47859000      14.70745000      -0.45836170       0.14942739       0.92000584
O        3.10365000       0.20022000      14.82565000      -0.86860260      -2.76938754       1.67857598
O        1.06897000       4.19497000      24.34222000       0.96530267      -0.69507809      -0.96998772
O       -1.63196000       4.21277000      24.17369000      -0.26864424      -0.48562723       1.15468113
O       -0.10198000       1.80414000      24.23851000      -0.82928272      -0.49574952       0.30126178
O        5.83105000       0.07770000      21.55397000      -0.06407479       1.35880187       0.82325088
O        2.72610000       1.65862000       2.52502000       1.79736422       1.06743170      -0.51592895
O        0.21631000       3.21633000      12.26104000       0.35764615       0.91455750      -0.06871693
O       -2.77651000       5.08826000       7.36524000      -0.94671392      -0.14101494      -0.49821420
O        3.03238000       1.77389000      16.93422000      -0.59320061      -0.07554025       1.41254104
O       -0.28791000       3.48146000      26.31819000       0.52238672      -1.72643010       0.99795453
O        2.87883000       5.08348000       0.39563000      -0.59261565       0.67051226       0.41821317
O        3.00473000       1.72505000      10.05494000       2.68866766      -2.05468151      -0.48530009
O        0.07342000       3.65521000      19.65854000      -2.33408516      -1.59089632      -1.54540815
O        0.17818000       1.74160000      16.89967000      -2.67954963       0.99572050       2.75860294
O        1.67475000       4.33289000      16.89342000      -0.04045037      -0.03382964       2.73881098
O       -1.51304000       4.39885000      17.12329000      -0.50969061       0.36405301       0.48827428
O        2.81972000       3.31290000      26.53300000      -0.48317641      -1.54602931      -0.68879146
O        1.46994000       0.94927000      26.41660000      -0.34013746      -0.51212830       1.21228218
O        4.22640000       0.86840000      26.33348000      -0.79853286      -0.04798162      -0.06827254
O        0.05554000       4.90299000       7.34840000       0.11945635       0.14534452       0.85517828
O       -1.21891000       2.67010000       7.47720000       0.64732971       0.07440650      -0.88793609
O        1.43661000       2.48039000       7.32607000       0.95969864       0.74309185       0.47483738
Zn       2.82374000       5.10037000      27.05536000       0.24146410       0.83944871       0.71245740
Zn       3.17775000       1.70256000       7.94957000      -1.19101166      -0.89205367       1.20261039
Zn       0.13715000       3.54637000      17.75406000      -0.38304670      -0.04721046      -0.88554817
Zn       2.59528000       4.95391000      23.49002000       0.67892220       1.06260547      -0.07744666
Zn       2.92300000       1.45271000       4.35932000       0.32757892       0.63198315       1.82873088
Zn      -0.16895000       3.42324000      14.19781000       2.06904149       0.56052172      -0.44831758
Zn       0.21585000       0.03943000      13.20919000       0.67451904      -1.29003680       0.97137795
Zn       2.83585000       1.74505000      22.90899000      -0.30179773       0.19311273      -0.57607593
Zn      -0.03467000       3.34575000       3.55182000      -0.39296763       0.02549911       0.78348112
Zn      -2.58255000       4.92576000       9.34705000      -0.10021865       0.53703695       0.18817926
Zn       2.76191000       2.01432000      18.88287000       2.50088207       0.79504256      -0.99450597
Zn      -0.19538000       3.49389000      28.26837000       1.12592102      -0.25467380       0.52971738
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.34129086 magmom=72.0019269 free_energy=-552.34129086 stress="-0.03214929645789025 -0.0029156718113059615 2.443477797126523e-05 -0.0029156718113059615 -0.03925680809684675 0.005485945435660673 2.443477797126523e-05 0.005485945435660673 -0.040962737764348243" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53640000       0.88634000      15.92619000      -0.68234572       0.59821611       0.65761314
Cr       4.50498000       0.99297000      16.09558000       0.01304382      -1.66738719      -0.84861813
Cr       3.12720000       3.47482000      16.02083000      -2.14854315       0.51236712      -0.49658348
Cr       4.18196000       2.48475000      25.27232000       2.44832696      -0.86664323      -1.93082089
Cr       1.38617000       2.65620000      25.38449000      -1.62425324      -2.87005257      -0.61559161
Cr      -0.31724000       5.04500000      25.34090000       0.61711650       0.54439280      -0.67995246
Cr       1.49139000       4.14274000       6.26214000       0.43539310       0.09560947      -0.12249964
Cr      -1.41873000       4.17521000       6.23732000      -0.09541628       2.69694736      -0.43933470
Cr      -0.07341000       1.78617000       6.25740000       1.26085878      -1.98467411      -0.21445510
Cr      -0.01663000       0.22754000      18.25676000       2.18112905      -1.42885902       2.39124230
Cr       2.97758000       1.55695000      27.54590000      -0.95256672       0.71154115       4.15636956
Cr       0.22373000       3.29527000       8.74821000      -0.96358379       0.56915352      -0.06816567
Cr       2.91427000       4.99371000       4.00157000      -0.99145123       2.12090548      -4.61042365
Cr       3.14317000       1.63758000      13.58514000      -1.18097577      -1.10554309       0.69064443
Cr      -0.16675000       3.37717000      23.02178000       0.11324120       0.10660386      -0.84797207
Cr      -0.07266000       1.80066000      20.63582000       1.50421724       3.02972475       1.31253669
Cr       1.35370000       4.54876000      20.62508000      -0.84239249      -2.59688625       0.30118789
Cr      -1.48858000       4.42103000      20.68956000      -1.40379069      -0.18973309      -0.08488320
Cr       2.91809000       3.43540000       1.35380000      -0.64796006      -0.43966938       0.71898632
Cr       1.30315000       0.97726000       1.41175000       1.23942491      -1.43686169       0.45653925
Cr       4.33741000       0.79587000       1.51164000      -0.41150830       1.62518055      -0.91287526
Cr       0.24782000       4.92854000      11.20700000      -1.78831061       0.95656661      -0.76667186
Cr      -1.18956000       2.36339000      11.20233000      -1.49340550      -0.37473375      -0.88849129
Cr       1.66924000       2.48804000      11.13970000       2.03631245      -2.47824274       0.89259551
O        1.33074000       0.99835000      19.65735000       1.22789751      -0.27085655      -1.75945180
O        4.57528000       1.03478000      19.49649000      -1.74530808      -0.85776679      -1.69359152
O        2.99532000       3.88396000      19.53021000      -1.85458970      -1.58393629      -0.88071092
O        4.22540000       2.33744000       0.21949000       0.18876919       1.25913548      -0.42706785
O        1.45469000       2.44772000       0.20425000       1.58821607       0.66147135      -0.34963167
O        2.87167000       0.10312000       0.46866000      -0.91329521      -0.35231367      -2.27736904
O        1.53993000       4.01881000      10.02305000       0.46916909       0.77200239      -0.66381355
O       -1.17065000       4.04212000      10.05013000       1.59963083      -0.64488321       0.22812554
O        0.19386000       1.63047000       9.98244000       0.65737370       1.58747067      -0.02674798
O        1.84735000       0.83013000      12.34003000      -0.39829523      -0.28672370      -0.43147640
O        4.42719000       0.67198000      12.34792000       1.70870605       0.89038669       0.74257410
O        3.28663000       3.03155000      12.31555000      -1.01261156       1.98416621      -0.06114135
O       -1.46506000       2.66083000      21.59832000      -0.75498727       0.43693612       2.23235067
O        1.31496000       2.89253000      21.82142000      -0.20142654      -0.83878499      -0.02233400
O       -0.23927000       5.07752000      21.99152000       1.36932089       0.20521806      -0.45530228
O        1.41059000       4.43491000       2.63729000       1.05921566      -2.27766916       1.91240406
O       -1.74082000       4.46561000       2.61124000       0.53215694      -0.90787603       0.01220508
O       -0.09856000       1.67801000       2.50919000      -0.24122985       0.00041716       1.74761839
O        1.26305000       0.81209000       5.07534000       0.83175441      -0.16975637       0.90585412
O        4.53702000       0.66338000       5.26960000      -1.10634228       1.22320683      -1.16022592
O        3.13219000       3.43577000       4.99395000      -0.84641467      -1.02980268       1.92272721
O        4.29782000       2.49138000      14.93838000       1.69059434      -0.15949878      -1.16325588
O        1.77585000       2.47220000      14.79989000      -0.67441888       0.82080505      -0.36640658
O        2.95418000       0.07373000      15.00251000       1.82940163       0.61635664      -1.34400483
O        1.15750000       4.17763000      24.29892000      -0.46017361       0.53897747      -1.04578226
O       -1.62607000       4.10640000      24.22210000      -0.18977797       0.37359829      -0.35986089
O       -0.00003000       1.77916000      24.24353000      -0.98796293       0.36277185      -0.33888531
O        5.70776000       0.13246000      21.60811000       1.59286612       0.38428106       1.09601050
O        3.00776000       1.80778000       2.39991000      -2.05753596      -0.17442030       1.50655994
O        0.19762000       3.20033000      12.29531000       0.33998952       0.61818621      -0.28506728
O        2.88844000       5.07056000       7.24740000       1.26411409      -0.04778801       1.13288797
O        2.94508000       1.75268000      17.03756000       0.68498082       0.26399077      -0.66490232
O       -0.16517000       3.37587000      26.34081000      -0.64995506      -0.11349115      -1.41945162
O        2.68899000       5.06956000       0.38285000       1.77424263       0.35101898      -0.79996558
O        3.24262000       1.65838000      10.02864000      -0.81521843      -0.81749625       0.55629038
O       -0.10281000       3.54482000      19.61736000       0.92032391       0.60869769       0.22264036
O        0.20920000       1.76738000      17.19920000      -1.10116931      -1.47662086      -2.61458894
O        1.69881000       4.37348000      17.00864000       0.80846502       1.05902229       0.48509047
O       -1.41657000       4.41035000      17.10059000      -2.01275337       0.65117198      -0.05370873
O        2.85458000       3.19933000      26.35112000       0.35967283       1.02222560       2.11442589
O        1.45205000       0.88398000      26.65904000       0.57768737       0.29302631      -2.58472233
O        4.20522000       0.75555000      26.16214000      -0.66933250       0.58264495       1.54504883
O        0.10661000       4.88601000       7.42726000      -0.26362911      -0.00578331       0.16827421
O       -1.21193000       2.81764000       7.48593000      -1.02598095      -2.52036368       0.53938190
O        1.42045000       2.54512000       7.35132000       0.26587918      -0.48825705       0.49260587
Zn       5.76290000       0.02301000      27.04365000      -0.63426271      -0.76393044       0.61464753
Zn       3.11339000       1.65349000       8.00009000      -0.01542650       0.00545824       0.59329696
Zn       0.15192000       3.52225000      17.71478000      -0.24671376       1.04568027       0.72577403
Zn       2.65437000       5.08227000      23.46518000       0.48529458       0.14735210       1.05136516
Zn       2.93298000       1.53411000       4.34055000       0.19755528       0.09796620      -0.21878382
Zn      -0.10434000       3.41751000      14.24302000       1.81131075      -0.13038165      -0.27408332
Zn       0.22706000       0.00970000      13.19541000      -0.00647128      -0.49490483       0.54199262
Zn       2.73291000       1.70695000      22.92155000      -0.02510325       0.73814830      -0.40773100
Zn      -0.08851000       3.33826000       3.63118000       0.01772558       0.43877370      -0.77264853
Zn      -2.62588000       4.95790000       9.33712000      -1.21336333      -0.17046603      -0.93310664
Zn       2.93493000       1.99407000      18.88848000      -0.43408556       0.12062860       1.80226616
Zn      -0.13190000       3.39316000      28.15133000       0.08296043       0.29465556       2.91302610
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.52912809 magmom=71.9991197 free_energy=-552.52912809 stress="-0.03834866963626087 0.0007237073584440611 -0.000381136456538163 0.0007237073584440611 -0.038535581189027425 -0.0005732141563402846 -0.000381136456538163 -0.0005732141563402846 -0.04007004346246419" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55998000       0.87234000      15.83915000      -0.82092627       1.21958153       0.80827701
Cr       4.56723000       1.02626000      16.15183000      -3.15440458      -1.40065208      -3.88963445
Cr       3.07623000       3.51626000      16.03860000      -1.34958570      -0.73127343      -2.31781102
Cr       4.36359000       2.34473000      25.15765000      -3.88379281       1.30515388       1.30776830
Cr       1.34022000       2.61226000      25.33185000       2.50582544      -0.86909335      -0.92931965
Cr      -0.35711000       5.09046000      25.31098000       2.03723404      -1.77629535      -2.56799645
Cr       1.48043000       4.11483000       6.14413000      -1.36627056      -0.02050882       2.56548371
Cr      -1.39302000       4.26200000       6.28873000      -1.07953802      -0.39966982       0.37245814
Cr      -0.15444000       1.69063000       6.28610000       1.78147079      -0.68466480      -0.05724464
Cr       0.05065000       0.11102000      18.32697000       1.53835104       1.10959754       2.30237378
Cr       2.94094000       1.58716000      27.63759000      -1.05978888       1.29444432      -0.81054910
Cr       0.16402000       3.33487000       8.80858000      -0.25996198      -0.04795996      -1.07996475
Cr       5.84838000       0.00821000       3.93819000       0.02216434       0.02943195      -1.09694014
Cr       3.09409000       1.66564000      13.56188000       0.65246675       0.82565629       0.78514395
Cr      -0.07407000       3.44033000      22.91967000       0.80315772       0.21915920       1.07433333
Cr      -0.02701000       1.85068000      20.71686000      -0.67285962       0.07609284      -2.47879926
Cr       1.39586000       4.52251000      20.56782000      -1.42533278      -2.31128681       2.39767168
Cr      -1.57694000       4.33906000      20.80879000       0.27326439       1.15892456      -1.12439296
Cr       2.93537000       3.43062000       1.32005000      -1.13470534       1.15586735       2.19369320
Cr       1.29791000       0.99569000       1.37754000       0.80837418      -1.65747612       1.73381494
Cr       4.31509000       0.78577000       1.40091000      -0.28528533       0.41417821       2.02383627
Cr       0.18108000       4.96916000      11.24618000      -0.26045422      -0.44751828       0.09647794
Cr      -1.30175000       2.38471000      11.12089000       1.51829885      -0.33909104       2.47201581
Cr       1.70461000       2.39770000      11.12464000       0.01844996       2.68523703      -0.36707328
O        1.30800000       0.90705000      19.58158000       0.65513803      -0.06330943       0.10389848
O        4.47448000       0.83606000      19.36071000       1.01249943       0.76400526       1.19078903
O        2.83311000       3.67723000      19.66543000       1.00165071       0.74365686      -1.09650429
O        4.21303000       2.45749000       0.29456000       0.74772689      -0.65537053      -1.14976957
O        1.46759000       2.41799000       0.11891000       1.66394961       0.38727204       0.73891555
O        2.89551000       0.01375000       0.15252000      -0.32757640       0.94919596       1.45183223
O        1.45817000       4.12916000      10.08890000       1.60614326      -0.85897622      -1.44169934
O       -1.18138000       3.96686000      10.12171000      -0.61900466       1.90641782      -1.79655681
O        0.23609000       1.77022000       9.98629000       0.03074498      -1.26439201      -0.40191030
O        1.81464000       0.97230000      12.27363000      -0.79164776      -2.47459262       1.44785660
O        4.40393000       0.73176000      12.41631000       1.06839678       0.81522109       0.19495659
O        3.20775000       3.24367000      12.25040000      -0.45978890      -0.84080374       0.45755991
O       -1.42571000       2.71146000      21.94000000      -1.66043544      -1.03327389      -1.92153527
O        1.39770000       2.64749000      21.61002000       0.00864490       1.63109069       2.06889833
O       -0.01822000       5.07575000      21.88126000      -0.55857117       0.38118819      -0.66113164
O        1.58127000       4.31710000       2.78252000      -1.03895124      -0.02763277      -1.72829035
O       -1.78397000       4.43774000       2.61978000       1.57038523      -0.22084967      -0.77730366
O       -0.13461000       1.68726000       2.62503000       0.10861545      -1.12094206      -0.40944673
O        1.34433000       0.82874000       5.16112000      -0.66165735      -0.58971639      -0.00984128
O        4.37347000       0.68038000       5.10804000       1.59994908       0.18658297       0.66064156
O        2.94119000       3.39687000       5.22121000       1.42793315       1.01689180      -1.52149909
O        4.39979000       2.54512000      14.82462000      -0.59463869      -0.41220035       0.81211129
O        1.74268000       2.56912000      14.86408000       0.23017841      -0.18726300      -0.79758644
O        3.10244000       0.09694000      15.00103000       0.30849872       0.83691070      -1.06012824
O        1.17424000       4.16388000      24.09870000       1.22848414       1.02767854       1.76592995
O       -1.57913000       4.03441000      24.22816000      -0.32860676       1.22255813      -1.27761791
O       -0.07250000       1.86631000      24.16937000       1.48531301      -0.76175444      -1.03846866
O       -0.03029000       0.28157000      21.71025000      -0.62523639      -2.05291679      -0.76388239
O        2.96725000       1.87558000       2.41057000      -1.19262401      -1.95684282      -0.21843321
O        0.23425000       3.29942000      12.19759000      -0.44831769      -1.02865843       0.88168202
O        2.86102000       5.03264000       7.25704000       0.95377320       0.30066462       0.46787937
O        2.97029000       1.78458000      16.99393000       0.17260199       0.34709676       0.65949942
O       -0.19016000       3.25010000      26.14118000      -0.40998751       1.41374478       3.02955146
O        5.76412000       0.02962000       0.35981000       0.47702831       0.20694370       0.00763178
O        3.34216000       1.40459000      10.11056000      -2.27740079       1.36262301      -1.44094186
O       -0.19535000       3.50208000      19.65835000       0.84615141       0.69189600      -0.37639885
O        0.00015000       1.67367000      17.12575000       2.87811349       1.52476959       0.78101625
O        1.75659000       4.50344000      17.18897000      -1.78654391      -1.83298012      -1.58165624
O       -1.64974000       4.54739000      17.05048000       2.75989762      -1.50188133       1.02703859
O        2.91916000       3.22063000      26.45001000      -0.35922933      -0.52614185      -0.44238813
O        1.48524000       0.90012000      26.44315000      -1.44005747       1.06684217       0.78837082
O        4.08112000       0.74333000      26.25898000       1.23889878       0.31674918       1.00366435
O        0.11590000       4.81023000       7.48771000      -0.77735575       0.80133011      -0.70333792
O       -1.32738000       2.59184000       7.47045000       0.10563222       0.94748615       0.23115843
O        1.39412000       2.58414000       7.43304000      -0.27519870      -0.81770081      -0.38303744
Zn       5.72620000       0.02267000      27.05565000       0.21050722      -0.72919101      -0.61014796
Zn       3.03483000       1.59505000       8.09560000      -0.36053267      -0.14152098       0.24212362
Zn       0.15752000       3.53841000      17.69833000      -0.76305948       0.30042751       0.30030136
Zn       5.69362000       0.11455000      23.51248000      -0.06044496      -1.81288992       1.46280657
Zn       2.95176000       1.62890000       4.32871000      -0.83154696       0.54585881      -0.02267040
Zn       0.07493000       3.40962000      14.26881000       0.86090598       0.09839085      -1.14474984
Zn      -2.70477000       5.05310000      13.22239000      -0.40399648       0.04683086       0.28294076
Zn       2.62345000       1.70377000      22.92282000       0.71242793       0.12716944      -0.33070409
Zn      -0.14827000       3.35680000       3.70311000       0.29361574       0.58682180      -0.17031220
Zn      -2.73209000       4.98711000       9.28612000      -0.55984654      -0.08897816       0.38347791
Zn       3.10942000       1.98219000      18.96578000      -1.97820194      -0.66512192      -0.26065956
Zn      -0.06635000       3.30548000      28.15588000      -0.87949809       0.30375105      -0.31754493
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.65674756 magmom=72.0033505 free_energy=-551.65771822 stress="-0.03371811101139743 0.006702135620128005 0.0009263725176934002 0.006702135620128005 -0.037866743255625966 0.0015242959473347971 0.0009263725176934002 0.0015242959473347971 -0.03664377386226307" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53039000       0.91712000      15.83373000       0.93036436      -0.38314466       1.30407130
Cr       4.52159000       0.96774000      16.07165000       0.91446772       0.86665556      -0.73384559
Cr       2.95621000       3.54256000      15.96932000       2.66693794       0.01283901      -0.33769140
Cr       4.35170000       2.27788000      25.14185000      -0.83947743       2.89289966       1.12718443
Cr       1.42493000       2.52034000      25.24839000      -0.20702184       3.04608834      -0.31217398
Cr      -0.28045000       5.07999000      25.20542000       1.19866668      -0.32001309       1.20791130
Cr       1.39102000       4.08266000       6.17803000       0.58976656       0.57300350       0.73514160
Cr      -1.42855000       4.32738000       6.35877000      -1.42747518      -3.11293871      -1.16231928
Cr      -0.12947000       1.55806000       6.32617000       0.76793118       1.65287085       0.34304336
Cr       0.16150000       0.02914000      18.49691000      -0.59914055       0.91798014      -5.28917080
Cr       2.87015000       1.67571000      27.70177000       0.61671115      -0.25334903      -2.88715377
Cr       0.09173000       3.37169000       8.78744000       0.19871177      -1.22603173      -1.32822382
Cr       5.83467000       0.11287000       3.77735000       1.10949357      -4.03065067       3.06028045
Cr       3.08144000       1.73525000      13.57427000       1.22873362       0.54459486      -0.64578627
Cr       0.04469000       3.51971000      22.86316000      -1.89633712       0.35095263       1.30348972
Cr      -0.00138000       1.89506000      20.65767000      -0.94850101      -2.63880942      -0.62148320
Cr       1.38945000       4.36357000      20.60702000       0.78547372       0.33999208       0.51343106
Cr      -1.64263000       4.30774000      20.82783000       2.98897520      -0.15052814      -1.53266610
Cr       2.90893000       3.46773000       1.40072000       1.06935903      -0.28443827       0.71299086
Cr       1.35888000       0.91724000       1.42013000      -0.26313211      -1.20321470      -0.53640465
Cr       4.26296000       0.82033000       1.36120000       1.14609468      -0.80096995       0.89598044
Cr       0.09240000       4.97611000      11.27107000       1.29389516      -0.58769658      -0.59451724
Cr      -1.34405000       2.40198000      11.14640000       1.39553543       0.70157234       0.27314751
Cr       1.73163000       2.41542000      11.11728000      -2.41897919       0.87152856       0.16125412
O        1.46727000       0.83888000      19.53856000      -0.28810539       0.89766574       1.56569091
O        4.55048000       0.74878000      19.44292000       0.75582875       1.38707461       0.68431636
O        2.81844000       3.60874000      19.60736000       1.15171562       0.39624788       0.16650870
O        4.26212000       2.49208000       0.21414000      -0.63539372      -0.98803246       0.96918631
O        1.70895000       2.50076000       0.25411000      -3.23972872       0.98984847       0.24325298
O        2.83411000       0.06287000       0.08654000       0.32823929      -0.03887594       1.97529769
O        1.55814000       4.07694000       9.93735000      -1.12341679      -0.23841455       0.77913495
O       -1.21639000       4.11715000       9.97745000      -0.34518783      -0.18855275       0.90754508
O        0.27632000       1.80255000       9.96359000      -1.40903375      -0.84263427       0.03853590
O        1.71765000       0.78768000      12.37137000       0.84556412       0.67299282      -0.26412072
O        4.55120000       0.99374000      12.51503000      -0.84146472      -1.22177063      -1.46439807
O        3.04600000       3.25346000      12.25333000       0.99865410      -0.37890186       0.12464337
O       -1.54717000       2.68570000      21.96964000       1.04314477      -0.17038711      -1.56451158
O        1.36279000       2.68699000      21.74305000       0.28103783       0.27278629      -0.03044017
O        0.06832000       5.06837000      21.69209000      -2.28004366       1.20342123       1.92900404
O        1.63807000       4.21437000       2.65363000      -1.45138679       1.00464213      -0.74187703
O       -1.62420000       4.36889000       2.51362000       0.15832625      -0.26227135       0.89419133
O       -0.14355000       1.48247000       2.62986000      -0.44183382       3.14605099      -2.05257261
O        1.29336000       0.73424000       5.24623000       0.83689447       1.42605568      -2.02215834
O        4.50914000       0.73594000       5.05975000      -1.05267839      -0.15852313       0.18283917
O        2.97800000       3.58931000       5.21409000       0.10461733      -0.98444675      -1.73323300
O        4.38586000       2.51613000      14.85082000       0.89084366       1.54579491      -0.17218443
O        1.80387000       2.57884000      14.79770000      -0.46427218      -0.86263742      -0.18195218
O        3.27208000       0.30332000      14.78577000      -2.04430815      -2.46956084       0.53975569
O        1.30717000       4.27700000      24.18161000      -0.48183456      -0.26750658       0.51039458
O       -1.49692000       4.16021000      24.02968000       0.22458130      -0.37700025       0.69167887
O        0.03103000       1.96080000      23.99318000      -0.27319097      -0.28854753       1.17674762
O       -0.02383000       0.14771000      21.61137000      -1.80969531       0.89484939       1.80218079
O        2.71738000       1.62826000       2.37585000       3.13583077       1.48758115       1.64115746
O        0.20456000       3.26166000      12.17731000      -0.36743206       0.07500588       0.46327193
O       -2.88858000       5.04581000       7.33489000      -1.39756919      -0.32361158       0.10187759
O        3.04272000       1.87121000      16.95562000      -0.44559895      -0.56635862       1.15032268
O       -0.27444000       3.34196000      26.27871000       0.98276977      -0.20296489      -1.51410863
O        0.05728000       0.10403000       0.36926000      -2.54808175      -1.05385208      -0.82275349
O        3.06409000       1.41836000      10.08135000       0.92711260       1.10886681       0.84535305
O       -0.11798000       3.57489000      19.69923000      -0.34341495      -0.93215250      -0.85921872
O        0.20636000       1.73431000      17.02072000      -0.72744136      -1.17357478       0.77460594
O        1.62808000       4.39124000      17.06188000       1.53756650       1.04739930       0.63245795
O       -1.49573000       4.46761000      17.11187000      -0.96163113      -0.08125684      -0.43886133
O        2.90973000       3.15783000      26.43371000      -0.20498107       0.36810060      -1.13937580
O        1.34042000       1.01071000      26.24663000       0.47645572      -2.24558671       1.73618944
O        4.12041000       0.80840000      26.46626000      -0.53037352       0.17604052      -1.80661263
O       -0.00324000       4.81668000       7.42175000       1.28422410       1.01140610       0.65407892
O       -1.37905000       2.49369000       7.46862000      -0.02242880       1.01874057       0.36059642
O        1.26681000       2.50927000       7.43402000       0.65133276      -0.00898137      -0.48402445
Zn       2.74741000       5.08852000      27.04753000       1.03117973      -0.83221970       0.03218747
Zn       2.93691000       1.53403000       8.19799000      -0.13536352       0.67172700      -1.10832549
Zn       0.11180000       3.57386000      17.70336000      -0.94541251      -0.76256472       0.32390659
Zn       5.78507000       0.16429000      23.63573000       0.18628995      -1.59905393      -1.12379393
Zn       2.93424000       1.74823000       4.32110000      -0.38159076       0.12661909       1.16997459
Zn       0.29073000       3.41177000      14.23495000      -2.43184959       0.90960079      -0.92119013
Zn      -2.70575000       4.98671000      13.27745000      -0.71925467       0.38903865       0.60946306
Zn       2.55482000       1.71051000      22.91801000       1.80654917      -0.38390752      -0.49242432
Zn      -0.19333000       3.40645000       3.77155000       0.38999029       0.17512362      -0.33006804
Zn      -2.86849000       5.01381000       9.24233000       0.73505634       0.63378362       0.88744108
Zn       3.18930000       1.93143000      19.03994000      -1.30082067      -1.60506113      -1.51708811
Zn      -0.03594000       3.24200000      28.16555000       0.57996073       0.69355335       0.56501464
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.24983394 magmom=72.0008767 free_energy=-551.24983394 stress="-0.03750604258598853 0.00791350290935415 0.0002063759049454231 0.00791350290935415 -0.04192456141724272 -0.0008797759196462244 0.0002063759049454231 -0.0008797759196462244 -0.042278951059825626" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55346000       0.93421000      15.91536000       1.80534894      -1.56277766      -0.18252308
Cr       4.49559000       0.94027000      15.93773000       1.18427967       1.01468121       0.30535954
Cr       2.98211000       3.55958000      15.89169000       2.06202526      -0.79233939       0.23784011
Cr       4.26972000       2.38806000      25.21249000       2.50582008       2.41947026      -2.13491515
Cr       1.49890000       2.54694000      25.18341000      -2.58861352      -0.46996198       0.40314900
Cr      -0.13840000       5.06122000      25.18835000      -1.31718685       1.77502061       2.36283505
Cr       1.32058000       4.08927000       6.25774000       2.13164887       1.36827904      -2.19864259
Cr      -1.52717000       4.23381000       6.35551000       0.79036778      -0.40135798      -2.00905836
Cr      -0.06261000       1.52880000       6.37069000      -0.88482312       1.19395373      -2.13250482
Cr       0.23947000       0.02089000      18.46082000      -0.90625028       1.70937918      -3.49760574
Cr       2.83545000       1.73966000      27.66320000      -1.43788452      -1.08929827       0.29123528
Cr       0.02918000       3.33936000       8.69486000      -0.60052185      -0.38197884       1.07660462
Cr       5.86379000       0.04290000       3.73883000      -0.44868645       0.87075499      -0.31984382
Cr       3.16000000       1.80835000      13.55692000       0.48863174      -2.56079579      -0.21304247
Cr       0.04615000       3.61179000      22.90275000      -1.63019321      -1.44048653       0.01187233
Cr      -0.01830000       1.77666000      20.55410000       1.74795998       1.97985791       5.06357406
Cr       1.41776000       4.26169000      20.66440000       0.34420701       2.26153083      -0.40409686
Cr      -1.58126000       4.31893000      20.71753000       1.10268362       0.50915598       1.51608543
Cr       2.92430000       3.47487000       1.50778000      -0.30079410      -1.78549732      -1.14543632
Cr       1.42377000       0.78864000       1.42857000      -1.34094275       2.13208179       0.40608229
Cr       4.26110000       0.82901000       1.34800000       1.98386724      -0.76673915       1.36352740
Cr       0.07204000       4.95236000      11.26023000       1.12132173       1.71022855      -1.09071265
Cr      -1.30386000       2.45816000      11.19383000      -1.55377148       0.70117921      -1.72973910
Cr       1.60761000       2.49901000      11.12609000      -1.08133549      -1.69542385       1.24078056
O        1.54307000       0.92395000      19.72672000      -0.80444336      -0.51759961      -1.62590162
O        4.73520000       0.83253000      19.61518000      -2.61892214      -1.97508690      -3.36044592
O        2.98790000       3.60876000      19.56469000      -1.13000251      -0.30008683      -0.20344533
O        4.19122000       2.37739000       0.25464000       0.11917328       1.86513590      -1.04634820
O        1.47865000       2.70836000       0.43824000       2.36859946      -2.83479590      -0.68703669
O        2.80557000       0.10921000       0.35318000      -0.13545504      -0.27763475      -2.68528858
O        1.43811000       3.95456000       9.91150000       0.01076588       1.70167150      -0.01093788
O       -1.23843000       4.22234000       9.97545000      -0.15590079      -0.84937040       0.03118900
O        0.06191000       1.74143000       9.96787000       0.30021967       0.56979097      -0.25161901
O        1.81881000       0.71641000      12.42021000      -0.98284924       1.29286118       0.14512675
O        4.49136000       1.02292000      12.35860000       0.19066025      -2.65361814       0.49556088
O        3.05639000       3.15058000      12.25582000       0.06382923       2.40910688      -0.04016891
O       -1.44390000       2.66798000      21.63377000       0.54580297      -0.23834422       1.38873131
O        1.34001000       2.81008000      21.83926000       0.64005470      -1.75199956      -0.85272114
O        2.76778000       0.04255000      21.77646000       1.36760492      -0.01871253      -0.04882873
O        1.49909000       4.34430000       2.42350000       0.38075499      -0.23537588       2.82555500
O       -1.50596000       4.29691000       2.54901000      -1.16160264       0.32536481       0.71187911
O       -0.17433000       1.59009000       2.40195000       1.06033399      -0.16226298       1.94426491
O        1.33150000       0.80298000       5.06131000      -0.09989894      -0.28469259       0.84414373
O        4.56806000       0.71138000       5.10633000      -1.20532154      -0.12502143       0.24069733
O        3.06615000       3.63558000       4.93132000      -0.77840653      -0.46308838       2.04064018
O       -1.43125000       2.68225000      14.86474000       0.02863354      -0.63112063      -0.57525321
O        1.82561000       2.43238000      14.75653000      -1.03083063       1.26713015       0.28225872
O        3.10090000       0.18908000      14.70571000       0.26091753       0.30853066       1.33109448
O        1.35292000       4.31781000      24.35284000       0.97849312      -0.38763967      -1.96435112
O       -1.35022000       4.22553000      23.99112000      -1.92320789      -0.54621715       1.26679252
O        0.09705000       2.03106000      24.02740000      -1.58759508      -1.50905853       0.20287341
O        5.66544000       0.07105000      21.72515000       1.81400602       0.19111096       0.02255245
O        2.92292000       1.60423000       2.48872000      -1.00563954       1.19734220      -0.24623759
O        0.11462000       3.25017000      12.20501000       0.73619495       0.64593781       0.49016021
O        2.93954000       5.00777000       7.34946000      -0.93774043      -0.63607066      -0.14059433
O        3.06695000       1.85510000      17.01969000       0.02039618      -0.57251666      -0.55961594
O       -0.16385000       3.41502000      26.17549000       0.24584741      -1.13029950       1.30028061
O        2.81056000       5.10787000       0.34694000       0.99472546      -0.19964767      -0.24402944
O        2.96484000       1.64755000      10.18651000       1.76976250      -1.20855564      -1.19408732
O       -0.05546000       3.48981000      19.62015000      -0.06015552       0.26222146      -0.36532269
O        0.34054000       1.63631000      17.09502000      -2.69012716       0.46836956       0.91926151
O        1.74656000       4.45283000      17.00742000      -0.94631421       0.14043841       1.36123732
O       -1.51984000       4.40982000      17.05749000      -0.29884092       0.28619694      -0.25754196
O        2.86985000       3.14567000      26.23937000       0.81447944       1.35577960       2.31023388
O        1.30693000       0.87476000      26.28898000       1.58013416       0.57281282      -0.05949144
O        4.08233000       0.90972000      26.35277000       0.45166021      -0.93325529       1.05719581
O        0.02399000       4.90929000       7.41056000      -0.54759958      -0.51251160       0.31875754
O       -1.37026000       2.61012000       7.49758000      -0.68833537      -0.57990607      -0.27200844
O        1.23691000       2.47820000       7.35836000       1.50956543       0.23407629       1.07965091
Zn       2.76397000       5.00292000      27.03403000       0.04896450       0.15878693      -0.04554533
Zn       2.83508000       1.51126000       8.24892000       0.43447590       1.19413160      -0.09117019
Zn       0.03600000       3.56662000      17.72598000       1.08267599      -0.72125696      -0.77305046
Zn      -0.02150000       0.12842000      23.71007000      -0.08998089      -0.08873408      -0.98157992
Zn       2.89225000       1.86608000       4.36741000       0.20933345      -1.64992360       0.37591269
Zn       0.38190000       3.45689000      14.15352000      -1.73152788       0.22854097      -0.11289517
Zn      -2.73879000       4.94578000      13.36608000      -0.03905149       0.74499620      -0.13051073
Zn       2.58122000       1.69978000      22.90363000       1.27892432       0.07247837      -0.58231271
Zn      -0.21294000       3.46404000       3.82539000       0.67548937      -0.32277548      -0.96577661
Zn       2.93080000       5.06370000       9.24907000       0.47278706      -0.52828465       1.33268418
Zn       3.19087000       1.80352000      19.04222000      -0.81010025      -0.61892658      -0.58120239
Zn       0.00297000       3.21997000      28.19212000      -2.17257465       1.27266183      -0.58424012
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.5796911 magmom=72.0025429 free_energy=-552.57969111 stress="-0.030867709207556552 0.0056224413981911985 -7.867749932404956e-05 0.0056224413981911985 -0.0407446693033158 -0.0014874325521053065 -7.867749932404956e-05 -0.0014874325521053065 -0.03723621025016021" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64722000       0.88724000      16.02097000      -1.52372363       1.77891495      -1.36748309
Cr       4.55230000       0.96207000      15.84866000       0.89196063      -0.73121333       1.85003177
Cr       3.11753000       3.53804000      15.84193000      -2.72209905      -0.86903693       0.07987831
Cr       4.31205000       2.62275000      25.21787000       0.44809841      -2.76286499       1.02163467
Cr       1.45051000       2.55165000      25.18343000       0.06220374      -0.52820740       0.24727902
Cr       2.89551000       0.01755000      25.32305000       0.56598785      -1.05293444      -1.39052146
Cr       1.35783000       4.16855000       6.22289000      -0.22548086      -0.39291691      -0.52916014
Cr      -1.58178000       4.09901000       6.23816000       1.47039433       2.24965958       0.52578738
Cr      -0.03728000       1.58847000       6.30565000      -0.76124389      -0.16050079      -0.69717354
Cr       0.27902000       0.11956000      18.32463000      -3.76785155      -1.76673566       0.32517719
Cr       2.73740000       1.73204000      27.65548000       1.81908939      -0.81906764      -0.56989169
Cr      -0.06100000       3.28506000       8.66098000       0.53147215       1.26667263       0.63321674
Cr       5.86532000       0.00385000       3.73762000      -1.04793788       2.76695555       1.95407802
Cr       3.25701000       1.75286000      13.50569000      -1.95566098      -0.66666622       0.57146680
Cr      -0.05908000       3.60439000      22.94781000       0.60692792      -2.85581868      -0.80799878
Cr       0.01785000       1.68181000      20.63500000       0.00588850       1.55386665       0.41407929
Cr       1.49198000       4.28836000      20.67882000      -0.47235232      -0.07709222      -1.05724103
Cr      -1.48032000       4.37671000      20.58736000       0.35056670      -2.24497092       1.91114379
Cr       2.91571000       3.38147000       1.53924000      -0.66580958       0.83831336      -1.53031932
Cr       1.41570000       0.77593000       1.42421000      -0.25794696       0.48884914       0.63577686
Cr       4.35153000       0.81505000       1.38354000      -0.13334169       1.09794364      -0.13788086
Cr       0.09976000       5.03182000      11.18922000      -0.82785832       1.07343263      -0.65131514
Cr      -1.35043000       2.53891000      11.17270000      -1.83613984      -0.16202912       0.33431912
Cr       1.44464000       2.49872000      11.18769000       3.05652457      -0.92540305      -0.31402927
O        1.49116000       0.92686000      19.65553000      -0.03161355      -0.36847401      -1.61173614
O        4.62317000       0.69620000      19.38979000       1.52571879      -0.00280104       1.64327019
O        2.95985000       3.55369000      19.55089000       0.40979171       0.48899738      -0.58103283
O        4.13262000       2.52112000       0.16313000       0.60957757      -0.47242137       0.81444757
O        1.57978000       2.41428000       0.43952000      -1.39616265       0.90764534      -1.27299764
O        2.80584000       0.10822000       0.22982000       0.54993363      -0.30408767      -0.04925290
O        1.26429000       4.04978000       9.94627000       1.28094352       0.01516162      -0.34458293
O       -1.25349000       4.15237000      10.01049000      -1.34313444       0.44347303      -0.59635399
O       -0.09826000       1.81310000       9.94380000       1.89730333      -1.01846125      -0.01951651
O        1.84030000       0.90862000      12.42894000      -1.15913820       0.07400249      -0.39279968
O        4.42001000       0.68668000      12.23937000       1.45032149       1.85556183       1.22819322
O        3.09492000       3.33401000      12.26995000      -0.40285665      -0.91513653       0.20866615
O       -1.19496000       2.70869000      21.55875000      -2.67937510       0.45413603       2.66007410
O        1.33987000       2.69855000      21.75360000      -0.03514567      -0.07147056       1.04227053
O        2.73298000       0.03686000      21.87660000       1.54534543       0.12990082      -0.98393557
O        1.49862000       4.46609000       2.65119000      -0.37033467      -1.82174199      -0.12971901
O       -1.66261000       4.33876000       2.65840000       1.14215773      -0.53057306      -0.66125264
O       -0.04734000       1.63633000       2.45559000      -0.04241110      -0.61714105       0.92537755
O        1.30818000       0.81545000       5.01232000      -0.19961544      -0.53823054       1.03790696
O        4.43764000       0.66407000       5.18310000       0.14431460       1.40543626      -0.81363365
O        2.97502000       3.64586000       5.01235000      -1.33739856      -0.67362933       0.35613066
O       -1.38042000       2.70183000      14.77880000       0.02334132      -1.15484938      -0.54380971
O        1.75641000       2.44255000      14.79880000       0.95514442       0.55519591      -0.33539232
O        2.98353000       0.14082000      14.91331000       1.76246132       0.32401778      -1.57486986
O        1.40570000       4.23958000      24.20857000      -1.12341061       0.08465954      -0.02494452
O       -1.42253000       4.16478000      24.21960000       0.54900279       1.38807737      -0.69989358
O       -0.11790000       1.91778000      24.14598000       0.57648868       0.40331610      -0.48195151
O        5.78662000       0.03657000      21.76013000       1.11239723       0.09501227      -0.72533769
O        3.06877000       1.81322000       2.50662000      -1.22927481      -2.05716426       0.62965691
O        0.10786000       3.36825000      12.21940000      -0.55406994      -0.27609364      -0.29354621
O        2.72998000       4.90360000       7.27056000       2.12474701       1.30159206       1.06722575
O        3.10390000       1.73277000      16.93130000       0.21721692       0.94511929       0.56164733
O       -0.00393000       3.32886000      26.20677000      -0.36447416       0.58810410       1.51836727
O        2.74138000       4.95651000       0.34341000       1.23854196       1.01440706       0.35163067
O        3.12763000       1.69017000      10.17750000      -1.71853400      -0.46312773      -0.57374469
O       -0.00257000       3.41537000      19.58403000       0.28633575       0.80628873       0.24570648
O        0.03506000       1.58313000      17.19697000       1.14183358       1.83648145      -2.22094314
O        1.74993000       4.54839000      17.11328000      -0.25069069      -1.44334677      -1.41323623
O       -1.61973000       4.40897000      16.95699000       3.03669086      -0.53512017       1.70322436
O        2.92085000       3.29425000      26.34802000      -1.04568602      -2.32474445      -0.37390897
O        1.55485000       0.83913000      26.31931000      -1.88153302       1.12933937       0.87989900
O        4.13417000       0.93308000      26.35444000       1.30614411       0.83482438       1.06125623
O       -0.01367000       4.84032000       7.42853000      -1.02027140       0.15031714      -0.16206294
O       -1.43120000       2.63588000       7.44460000      -0.10832055      -1.73078871      -0.27352308
O        1.37928000       2.52621000       7.40895000      -1.38360446      -0.19554976      -0.34900025
Zn       2.79076000       4.93443000      27.02052000      -0.11378305       2.93684291       0.58986968
Zn       2.75956000       1.54824000       8.28311000       1.17441386      -0.04166721      -0.41752267
Zn       0.01662000       3.51974000      17.70471000       1.04315360      -0.03322230      -0.74668297
Zn       0.06577000       0.08339000      23.72995000      -1.01155472       0.24594050      -1.09225181
Zn       2.85848000       1.89400000       4.44558000       0.30089281      -2.21613410      -0.17564901
Zn       0.37353000       3.51915000      14.06618000      -0.70858466      -0.00608480       1.21282717
Zn      -2.77871000       4.94507000      13.45992000       0.09945276       0.87490795      -0.25310929
Zn       2.68281000       1.69373000      22.87764000       0.56104611       0.64925175      -0.06185357
Zn      -0.19453000       3.50556000       3.84830000       0.58237060      -0.34977639      -0.88552718
Zn       2.85821000       5.08960000       9.32040000       0.22736504      -1.03246920       0.16995149
Zn       3.13568000       1.64761000      18.99975000      -0.84126903       1.64363713      -0.63816804
Zn      -0.04435000       3.26157000      28.20726000      -0.13386901       0.51350984       0.41528876
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.02886972 magmom=72.001209 free_energy=-553.02886972 stress="-0.036353193645353186 0.0007740887701761177 -0.00807042155161624 0.0007740887701761177 -0.037167700212892785 -0.00022129361107701417 -0.00807042155161624 -0.00022129361107701417 -0.034859577811160634" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.65939000       0.90892000      16.08738000       0.18292798       0.93100079      -2.88200052
Cr       4.65835000       0.93523000      15.86441000      -1.69040344      -0.96952627      -1.43618197
Cr       3.14689000       3.48664000      15.82171000       0.46290996       0.10398906       0.69345786
Cr      -1.51898000       2.69099000      25.30489000      -0.81024001      -1.81480817       1.63070034
Cr       1.39891000       2.51947000      25.23809000       0.18628621      -0.15749942      -0.84354144
Cr       2.99871000       0.07431000      25.44370000       0.23699766      -0.94389530      -1.73060603
Cr       1.37334000       4.25304000       6.18416000      -2.22435202       0.21662214       3.03280056
Cr      -1.55095000       4.07055000       6.15442000      -1.01537242       0.96024633       1.46285226
Cr      -0.06371000       1.65349000       6.20086000      -0.64202668      -0.26452527       1.66340991
Cr       0.15080000       0.14096000      18.22530000      -1.42324486      -2.76535536      -1.32308302
Cr       2.75525000       1.66040000      27.62695000       2.67773951       0.20161632       1.46982990
Cr      -0.13087000       3.29550000       8.66683000       0.36114363      -0.04933478      -0.14728424
Cr       5.81420000       0.10255000       3.84996000      -0.57725416      -2.11978604       1.06991060
Cr       3.23417000       1.64892000      13.47773000      -1.74310224       0.90538649       0.86155809
Cr      -0.12033000       3.45169000      22.95084000       1.82349733       1.51054962       0.77736716
Cr       0.05211000       1.68449000      20.73199000      -0.82699007       1.42103454      -1.73613039
Cr       1.56079000       4.30454000      20.63471000      -0.01523376      -1.77911115       1.54284705
Cr      -1.39014000       4.33273000      20.49624000       0.12494674      -0.71690869       1.97042200
Cr       2.86697000       3.31853000       1.47622000      -0.74721073       1.19769521       0.96489591
Cr       1.39495000       0.79839000       1.44888000       1.59472893      -1.14302869       0.55331678
Cr       4.43622000       0.85361000       1.42346000      -1.23349903      -0.32125986       0.51360604
Cr       3.04703000       0.05900000      11.09379000      -1.04657162      -2.66461371       1.30885240
Cr      -1.50261000       2.61163000      11.14277000       1.95806334      -0.71827820      -0.07149187
Cr       1.44456000       2.45932000      11.23016000       0.51179264       2.88003423      -2.03655305
O        1.43455000       0.87527000      19.37306000      -0.64781228       0.03116473       1.68626419
O        4.66263000       0.57647000      19.39002000      -0.97177066       3.30703964       0.74809100
O        2.97569000       3.59422000      19.46710000       1.00918815      -0.66261529      -0.61540461
O        4.13929000       2.58814000       0.21777000       0.18376668      -1.72749857       0.55670463
O        1.50039000       2.28351000       0.26615000      -0.88951813       2.03788027       0.44706173
O        2.92190000       0.06836000       0.07919000       0.18550458       0.68967509       2.19744665
O        1.25530000       4.15324000       9.93932000      -0.26413195      -0.89448410      -0.40403568
O       -1.44463000       4.11303000       9.96037000       0.51723686       0.86838303      -0.19741585
O        0.06057000       1.80715000       9.96536000      -0.63220528      -0.12691130       0.41365952
O        1.69910000       1.08774000      12.38630000       0.10849671      -3.13933626       0.99823655
O        4.49082000       0.67236000      12.31290000      -0.35106715       1.37015555      -0.21797102
O        3.06365000       3.30931000      12.31587000      -0.54402125      -0.41421165       0.33706646
O       -1.36438000       2.76475000      21.84842000      -1.91485846      -1.86861063      -2.41450652
O        1.29033000       2.60157000      21.80912000       0.95404069       0.58502286       0.54785724
O        0.04997000       5.06084000      21.78094000      -0.03189327       0.24657674      -0.38308822
O        1.51182000       4.29968000       2.82694000      -0.51702609       0.16849665      -2.12081358
O       -1.75075000       4.34072000       2.63658000       1.01817850      -0.88528891       0.36059988
O        0.06399000       1.52118000       2.66048000      -1.25598149       1.75273337      -1.19151957
O        1.22573000       0.70788000       5.16546000       1.64382212       0.22204483      -0.89399310
O        4.36703000       0.81632000       5.14428000       0.87912981      -0.24949230      -0.50209564
O        2.71926000       3.58787000       5.17060000       1.92729416      -0.78011513      -2.16508439
O       -1.39280000       2.49539000      14.64943000       1.03008784       0.95488920       0.59230259
O        1.86782000       2.53161000      14.80190000      -1.22534895      -0.39566241      -0.64957245
O        3.13906000       0.23378000      14.90177000      -0.67878882      -1.10124141      -1.11665523
O        1.27831000       4.13876000      24.06566000       1.32191975       1.14790352       1.84955812
O       -1.36422000       4.33290000      24.33639000       0.89460915      -0.37995648      -0.41513453
O       -0.22401000       1.89143000      24.17715000       1.23658827      -0.26499503      -0.35712158
O        0.20777000       0.02107000      21.60483000      -1.43220099      -0.22779849       1.42838273
O        2.95651000       1.67906000       2.50005000      -0.31031828      -0.65250595      -0.07422932
O        0.03073000       3.45028000      12.11407000      -0.38015580      -0.10802139       0.69202228
O        2.84704000       5.01007000       7.28691000       0.19379509       0.29920253      -0.07203512
O        3.17084000       1.77195000      16.87890000       0.02115950       0.44273895       1.34493828
O        0.08365000       3.33731000      26.38707000      -0.89953596       1.10275595      -1.46771322
O        2.91035000       5.01233000       0.44485000      -0.54595320       0.37267499      -0.85368850
O        3.03301000       1.65222000      10.11886000      -0.66786432       1.23493749      -0.01912949
O        0.09428000       3.46861000      19.66496000       0.08630521      -1.04396302      -1.29203030
O       -0.07345000       1.73863000      16.98709000       3.58999802      -1.05660316       1.30359999
O        1.74987000       4.42279000      16.95578000       0.63757725      -0.48234330       0.21045814
O       -1.37583000       4.33106000      17.05050000      -2.69979788       1.98503837      -0.72641595
O        2.81407000       3.13079000      26.40527000       0.29799435       2.18717617      -0.41253961
O        1.51005000       0.94572000      26.40071000      -0.64270746      -1.24986962      -0.53484293
O        4.36587000       1.05571000      26.48971000      -1.05205809      -0.18356015      -0.80993530
O       -0.21383000       4.73850000       7.38101000       0.73345597       1.61125732       0.00173769
O        4.43758000       2.42972000       7.31170000      -0.23156948       0.66626175       0.83968721
O        1.24419000       2.57302000       7.39492000       0.22675748      -0.06672540      -0.19945661
Zn       2.81704000       4.99153000      27.03381000       0.54072021       0.18395742       0.74638979
Zn       2.73861000       1.59143000       8.28393000       0.17272967      -0.12987217      -2.25898829
Zn       0.06626000       3.46985000      17.64740000       2.53383600       0.16445604       1.28816694
Zn       0.09353000       0.05195000      23.69135000      -1.91409278       0.09180866      -1.28368171
Zn       2.83661000       1.80497000       4.52369000      -0.47808613      -0.76064644      -0.58711090
Zn       0.32340000       3.57595000      14.03371000      -0.42728917      -0.68283186       0.48932020
Zn      -2.81443000       4.99033000      13.54376000       0.14708509       0.52046065      -0.88154837
Zn       2.81841000       1.71664000      22.85908000       0.48809410      -0.02359208      -0.24368081
Zn      -0.14298000       3.52757000       3.84039000       0.25832759      -0.12277822      -0.76275396
Zn       2.80399000       5.06509000       9.39961000       0.77219190       0.12139202      -0.83963315
Zn       3.05431000       1.56921000      18.91637000       1.45453172       1.76495333      -0.60976437
Zn      -0.11132000       3.33379000      28.24533000       0.41609802      -0.34975021       1.18508376
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.61328962 magmom=71.9980544 free_energy=-551.61328962 stress="-0.02972367437631256 0.00538402108607276 0.00654941047308534 0.00538402108607276 -0.030473308433137263 -0.0024979210519260127 0.00654941047308534 -0.0024979210519260127 -0.028994554143977187" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64780000       0.97285000      16.03801000       4.34458687      -0.53291584      -4.38889790
Cr       4.70816000       0.85410000      15.86297000      -1.15920660       1.09845485      -1.97179836
Cr       3.18276000       3.44843000      15.84050000       1.68370161      -0.61349179      -1.92917276
Cr      -1.50732000       2.62444000      25.48272000       0.05126219       2.69809659      -3.72903270
Cr       1.38428000       2.47806000      25.27799000       0.59674628       0.86986682      -0.30929918
Cr       3.09590000       0.11253000      25.50133000      -1.54647719      -0.58468878      -3.68455389
Cr       1.29002000       4.31982000       6.29027000       1.10712496      -0.39602086      -0.48068337
Cr      -1.56299000       4.10586000       6.17017000      -1.58631929      -0.05922342       0.52855241
Cr      -0.11441000       1.69861000       6.19476000       1.14896344      -0.25971746       0.56740059
Cr      -0.01664000       0.03463000      18.06799000       1.33901768       0.32940653       5.06914696
Cr       2.90552000       1.57429000      27.62979000      -2.03506669       2.62598302       2.75621933
Cr      -0.17293000       3.31669000       8.66386000      -0.14098206      -0.38757021      -0.10408099
Cr       5.74896000       0.09900000       3.97396000       1.68791214      -3.07365876      -4.51938562
Cr       3.10864000       1.61250000      13.49880000      -0.39495693       1.19067197       0.22127403
Cr      -0.09031000       3.38167000      22.97440000       0.15501214       2.49396421       0.19838963
Cr       0.05652000       1.74786000      20.71792000      -0.26948229      -1.20525532      -0.93689294
Cr       1.63561000       4.23326000      20.63851000       1.34921827      -0.04343395      -0.26900844
Cr      -1.32997000       4.24894000      20.49343000      -0.76202876       0.84034315       0.79987156
Cr       2.78960000       3.33895000       1.44195000       0.04151455       0.02779841       1.16680774
Cr       1.45261000       0.76404000       1.49098000      -1.33316277      -0.39060616      -0.24791633
Cr       4.43972000       0.87205000       1.48441000      -0.44231434      -1.78991800       1.56591598
Cr       2.98795000       0.05317000      11.07364000      -1.08134505      -0.66033245       1.03761694
Cr       4.34458000       2.65626000      11.11372000       1.51927013      -1.70240871       0.57703635
Cr       1.47397000       2.54274000      11.19721000      -1.69291093       0.06448121       0.63050976
O        1.27926000       0.83171000      19.39291000       1.26040315       0.04910248      -0.02518880
O        4.63649000       0.87904000      19.54879000       0.13872929      -1.51823524      -1.16593066
O        3.13190000       3.58255000      19.31255000      -1.02062402      -0.00984165       0.09714233
O        4.15582000       2.37475000       0.39222000       0.28640857       1.78427162      -1.87204422
O        1.36523000       2.47309000       0.21384000       2.70496409      -1.49795966       0.83714136
O        3.04285000       0.15624000       0.31891000      -1.38533954      -1.02114424      -0.79906966
O        1.17800000       4.10236000       9.87314000       0.84402894       0.57154061       0.03260366
O       -1.48236000       4.15924000       9.90553000       0.77834541       0.41906747       0.17915954
O        0.10967000       1.80979000      10.04331000      -1.94014986       0.01664411      -1.09853494
O        1.60915000       0.84625000      12.39718000       0.37047290       0.34265315      -0.45864751
O        4.44011000       0.93255000      12.32493000      -0.13820661      -0.90716415      -1.52764893
O        2.96602000       3.13828000      12.36025000      -0.39437949       2.14266780      -0.31093903
O        4.23703000       2.61051000      21.77948000       3.57311638       1.07022881      -0.92649047
O        1.31999000       2.62595000      21.91250000       0.81509800      -0.38509695      -0.85663578
O        0.25236000       4.95441000      21.63923000      -2.38528251       0.33143934       1.46824431
O        1.48036000       4.20706000       2.61209000       0.09827939       1.25030690       0.75027193
O       -1.70392000       4.21698000       2.63860000      -0.15815187       0.36667133       0.50478749
O       -0.04666000       1.55100000       2.67586000       0.31431402       0.31918066       0.29491946
O        1.33184000       0.64369000       5.18864000      -0.75880470       0.85157197      -0.58642782
O        4.48827000       0.88807000       5.06362000      -1.76238531      -0.55064820       1.24074905
O        2.69604000       3.51466000       5.05666000       0.38540231       0.78835926       1.15555274
O       -1.30580000       2.41118000      14.65574000      -0.17635704       0.91425060       0.66602309
O        1.84766000       2.53589000      14.73151000      -0.64333966      -0.23855612       0.38535906
O        3.22268000       0.19049000      14.72934000      -0.54740023      -0.30295944       2.08000672
O        1.31305000       4.19747000      24.24833000       1.12936057       0.20824473      -0.53885065
O       -1.14445000       4.46633000      24.28160000      -2.18799857      -1.31333076      -0.66289576
O       -0.11453000       1.89732000      24.18073000      -0.59443568      -0.76509274       0.58202079
O        0.25444000       0.00460000      21.61448000      -1.16764203      -0.01936657       0.42258933
O        2.81972000       1.42486000       2.50301000       1.62406698       2.53445830       1.53582029
O       -0.08032000       3.48352000      12.06320000       0.95259122      -0.01797715       1.13027910
O        0.04743000       0.06246000       7.27400000      -1.58635701      -1.16492218       0.39839388
O        3.23540000       1.87047000      16.95016000      -0.02901272      -1.45904439      -0.95954521
O        0.00876000       3.52530000      26.30102000      -0.05855890      -1.19440946       2.11343321
O        0.01033000       0.01118000       0.45735000      -0.81634855      -1.09373375      -0.85341589
O        2.83548000       1.77245000      10.11023000       1.29965175      -0.53856035      -0.83899432
O        0.19150000       3.39010000      19.57666000      -0.33087508       0.09097980      -0.44853548
O        0.31284000       1.69009000      16.90447000      -3.79300136       0.46183580       1.81647364
O        1.79374000       4.22712000      16.79082000      -1.42376412       1.31405747       1.20560921
O       -1.47370000       4.49862000      17.04311000       0.95076667      -1.60688081      -0.21630948
O        2.77374000       3.22947000      26.37532000       0.95192521       0.03982781       1.17157821
O        1.38999000       0.89323000      26.40071000       2.49209121       0.19659572       0.21467413
O        4.41209000       1.12207000      26.50446000      -0.31491550      -1.89689124       1.20142132
O       -0.26498000       4.86535000       7.35267000       1.03827368       0.57667335       1.08296773
O        4.40787000       2.39242000       7.31747000      -0.69149636       1.33652107       0.95579050
O        1.09419000       2.64189000       7.32902000       1.91839061       0.14396404       0.82978413
Zn       2.86134000       5.06990000      27.08823000       0.19213404      -0.83648085       0.98166026
Zn       2.73414000       1.62304000       8.18051000      -0.27301571       0.12423735      -1.01623933
Zn       0.21069000       3.44492000      17.64438000      -0.67303282       0.52317072       0.33680072
Zn       0.03622000       0.02214000      23.59570000       0.06707146      -0.53276490       0.01573206
Zn       2.79498000       1.67489000       4.55890000       0.08607643       0.23454978      -1.45026413
Zn       0.25410000       3.58734000      14.03242000      -0.36363164      -1.80333004      -0.38095387
Zn      -2.84097000       5.06257000      13.58745000       0.23622947       0.36553291      -1.28557509
Zn       2.96265000       1.73696000      22.84580000      -0.70018861      -0.70050231       0.63496889
Zn      -0.08158000       3.53918000       3.80036000      -0.09945932      -0.41797744      -1.17536228
Zn       2.78756000       5.04844000       9.43145000       0.34302523       0.79376288      -0.87560203
Zn       3.02974000       1.58540000      18.81871000      -0.59647128       0.84207351       1.34242328
Zn      -0.16535000       3.39810000      28.32754000      -0.42066824       0.24860419       0.11770114
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.67152499 magmom=72.000369 free_energy=-553.67152499 stress="-0.032709455767637174 0.0013817089709464324 0.007072001827328126 0.0013817089709464324 -0.03756582135117372 0.003313333992696344 0.007072001827328126 0.003313333992696344 -0.04260110225295831" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.77627000       0.98885000      15.82752000      -2.77365372      -2.32653683       2.86860891
Cr       4.73669000       0.80651000      15.84134000      -0.53785729       1.45007219      -1.47088982
Cr       3.28574000       3.42509000      15.81558000      -1.05832430       0.30679990      -0.36994104
Cr      -1.51865000       2.66116000      25.50348000       1.06338578       0.13861814      -2.23479548
Cr       1.43359000       2.48748000      25.32906000       0.63939052       1.73646017       0.77359975
Cr       3.06741000       0.14943000      25.43657000       0.42781435      -2.83294786      -3.00257959
Cr       1.26125000       4.35548000       6.38268000       1.75385174      -0.56093701      -1.94590684
Cr      -1.65854000       4.15968000       6.23670000       0.75135124       1.28172700       0.55461460
Cr      -0.11640000       1.73328000       6.25577000       0.13117763      -0.14044864      -0.20473278
Cr       2.85384000       5.07117000      18.06049000       3.41384252       1.50741504       3.55783981
Cr       2.94712000       1.59725000      27.70035000      -0.18116959       1.70727862       2.17130573
Cr      -0.20448000       3.32711000       8.66223000       1.14429314       1.21928401       0.25107752
Cr       2.81153000       5.03900000       3.85286000       0.48475502       0.92744138       0.77534225
Cr       2.97429000       1.65109000      13.51263000       1.69116194       0.35977265      -2.05388466
Cr      -0.02235000       3.44651000      22.99946000       1.27740010      -0.90623839      -0.12559028
Cr       0.06243000       1.73784000      20.62896000       1.45922748      -1.45610362      -0.48175555
Cr       1.74262000       4.16968000      20.62850000      -3.00251161       0.20998157      -0.81612915
Cr      -1.32529000       4.22476000      20.52974000      -0.37991056       1.35275732      -0.94753599
Cr       2.74084000       3.36287000       1.47414000       3.24661923      -0.81311140       0.72521871
Cr       1.46103000       0.72498000       1.52662000      -1.26573807       1.05799080       0.83259414
Cr       4.39975000       0.82231000       1.59928000      -0.78576848       2.16389960      -2.16227928
Cr      -0.06922000       5.10430000      11.11307000       0.95889547       1.42045211      -1.56497663
Cr       4.37602000       2.61851000      11.12143000      -1.47227630       0.46916172      -0.44179687
Cr       1.41233000       2.63162000      11.16675000       0.02414880      -1.60149498      -1.24973444
O        1.32838000       0.76270000      19.48071000       1.10410095       0.12747780      -1.12479082
O        4.65009000       0.89281000      19.49499000      -0.69783862      -1.90480012      -1.00925775
O        3.12710000       3.58332000      19.22634000      -0.79385639      -0.95698469       1.41198318
O        4.21527000       2.39248000       0.31406000      -0.02600940       0.33209903       1.06058754
O        1.67821000       2.38575000       0.33261000      -3.05121230      -0.58491823      -0.81687214
O        2.92409000       0.11386000       0.44726000       0.29044684      -0.27888859      -0.85140075
O        1.18174000       4.11636000       9.85544000       0.60586150       0.29708466       0.72627784
O       -1.34782000       4.23356000       9.92129000      -1.81377629       0.17179965       0.21851638
O       -0.16853000       1.87125000       9.95147000       0.98093251      -0.64026542       0.07792654
O        1.63387000       0.69734000      12.34775000      -1.22304852       2.01501520       1.03351184
O        4.25110000       1.03843000      12.10293000       0.59015160      -1.84888327       2.07695723
O        2.82586000       3.25648000      12.32656000       0.58519317       0.56312807       0.47409721
O       -1.29946000       2.63470000      21.57413000      -0.98854434      -0.26931205       2.70838657
O        1.42924000       2.62869000      21.84902000       0.61353543      -0.42507112       0.07550859
O        0.07680000       4.85208000      21.72292000       0.89944125       1.60184818       0.04367670
O        1.50789000       4.34875000       2.54153000      -1.16230206      -1.72177037       2.27031096
O       -1.72255000       4.21635000       2.69542000       0.27889860       0.37124352      -0.25895440
O       -0.10603000       1.56406000       2.68243000       1.23871670      -0.04887468       0.24421148
O        1.22589000       0.67410000       5.11964000      -0.68362157       0.49424373       0.28490263
O        4.45045000       0.77676000       5.18597000      -0.53458406       0.49600025      -0.64998821
O        2.77806000       3.59133000       5.15105000      -0.78791644      -1.68098675      -0.17004126
O       -1.31109000       2.46626000      14.78894000      -0.17780294      -0.00065800      -1.26530466
O        1.75159000       2.48371000      14.72241000       0.07584058       1.55789833      -0.26763114
O        3.18406000       0.16627000      14.86354000       0.16618062      -0.59586142      -2.00232274
O        1.48620000       4.26904000      24.39838000      -1.42227531      -1.01062659      -0.81599014
O       -1.25175000       4.30194000      24.16346000      -0.88085979       0.11841013       1.37399267
O       -0.08484000       1.86604000      24.29887000      -0.03221516      -0.05444981      -0.45030198
O       -2.89351000       5.10106000      21.63564000       1.37930724       0.16845474      -0.24883644
O        2.89866000       1.61450000       2.62340000      -0.52874792       0.35935863      -0.96395964
O       -0.03286000       3.47729000      12.15845000      -0.12445130      -0.63986173      -0.07441291
O        5.79308000       0.02284000       7.27300000      -0.05479011       0.08334960       1.23496367
O        3.26815000       1.72394000      16.79239000      -0.20647560       0.24516809       1.33885177
O       -0.08015000       3.53159000      26.44763000       1.02331299      -0.45585758      -0.00120097
O        2.85313000       5.03416000       0.43598000       0.60801483       0.42297371       1.11895134
O        2.84267000       1.82807000      10.04114000      -0.00196292      -0.62696857       0.21967035
O        0.22137000       3.33048000      19.52263000      -0.19447073       1.12126456       0.74107687
O        0.22355000       1.58093000      17.03039000      -0.16391211       0.15747819      -1.28768712
O        1.67949000       4.23260000      16.76652000       1.85423673       0.56884051      -0.30738462
O       -1.44828000       4.45175000      16.95539000       0.40536799      -0.43398525      -0.00691398
O        2.90926000       3.33590000      26.49391000      -0.48005019      -1.71314838       0.17747150
O        1.69781000       0.86808000      26.41892000      -2.41771244       0.66067806       0.94627205
O        4.39012000       0.95998000      26.59269000      -0.60384190       1.00448145      -0.98982033
O       -0.13884000       5.00052000       7.45757000      -1.24943128      -1.10272142      -0.15635263
O        4.35858000       2.64352000       7.43171000       0.30912568      -0.88265324      -0.57855853
O        1.22341000       2.72445000       7.37828000      -0.73681315      -1.11141184       0.25298968
Zn       2.92665000       5.10873000      27.18139000       0.97808295      -0.01321100      -0.41144435
Zn       2.71647000       1.66660000       8.02862000       0.26879305       0.82603801       0.95098382
Zn       0.31613000       3.44784000      17.66242000      -2.31760302      -0.79893120       0.03047379
Zn       2.92875000       5.08135000      23.50307000       0.71200342       0.52597767       0.89744696
Zn       2.76333000       1.56967000       4.52117000       0.72864339       1.08496232       0.24218411
Zn       0.16935000       3.51155000      14.02183000       0.12750823      -0.29598425       0.84488744
Zn       0.09769000       0.03767000      13.57209000       0.19959214      -0.34770637      -1.25338408
Zn       3.07733000       1.72955000      22.85565000      -0.43927594      -0.14056246      -0.49368586
Zn      -0.03036000       3.52744000       3.71732000      -0.57840309      -0.74411864      -0.09047939
Zn       2.79619000       5.07241000       9.41287000       0.49702033       0.18158494      -0.48559387
Zn       2.98622000       1.64949000      18.78270000      -0.23938228      -0.06163103       0.64768086
Zn      -0.22533000       3.46144000      28.42023000       1.08277345      -0.83704846      -0.12985393
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.18112489 magmom=72.0010811 free_energy=-553.18112491 stress="-0.03830174269386019 -0.003696363087012785 0.004837572330901909 -0.003696363087012785 -0.04402767541619591 0.008331376526599732 0.004837572330901909 0.008331376526599732 -0.04378271327849849" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.77473000       0.87101000      15.74533000      -1.60223258      -0.12510096       1.34580972
Cr       4.76378000       0.81396000      15.81099000      -2.65757275       0.84333165      -3.01168840
Cr       3.32388000       3.44852000      15.80708000      -2.33408155      -1.11607372      -0.81432765
Cr      -1.49117000       2.69067000      25.42634000       0.87252267      -3.07199852       0.80312496
Cr       1.53184000       2.58238000      25.45690000      -1.54341322      -1.04202348       0.37612677
Cr       3.01812000       0.08987000      25.28508000      -1.20343837      -0.32401100       1.77376304
Cr       1.31307000       4.33656000       6.37266000      -1.06153864      -1.71213096      -0.87725413
Cr      -1.72713000       4.28728000       6.33878000       0.82240999       0.22307222      -0.47905372
Cr      -0.12407000       1.76283000       6.31540000      -2.18246049       0.09311126      -0.51901301
Cr       2.94413000       5.07818000      18.15986000       3.40111069      -0.90349504      -1.21677060
Cr       2.97792000       1.69844000      27.81446000      -0.94922076      -2.17658204      -0.69279838
Cr      -0.17728000       3.41063000       8.69465000       0.24427313       0.74002248       1.39703447
Cr       2.86057000       4.90583000       3.77854000      -1.35497546       2.28394891       4.85704299
Cr       2.92845000       1.72987000      13.41108000       1.22574829       0.87370794       0.79649063
Cr       0.11439000       3.47855000      23.02601000       0.28510133      -1.65029567       0.03068489
Cr       0.14341000       1.63969000      20.50132000       0.03692347       1.08149807       1.19332175
Cr       1.68688000       4.13305000      20.56385000      -2.08100856       1.35041840       1.42445267
Cr      -1.33575000       4.26785000      20.54088000       0.60850412      -1.08604085       1.51757550
Cr       2.84492000       3.33548000       1.52784000      -1.02152801       1.31820183      -0.31896756
Cr       1.39329000       0.74576000       1.58456000       0.36048683       1.46700627      -0.07159326
Cr       4.31808000       0.86094000       1.62029000       0.80118207      -0.40609586      -0.05523137
Cr       2.80715000       0.01515000      11.09613000       0.55653504       0.49449652       0.24779126
Cr       4.32486000       2.56812000      11.12804000      -1.14888608       0.59658780       0.02022027
Cr       1.35856000       2.63712000      11.07870000       1.05095725      -1.78437913       0.68162822
O        1.52059000       0.68427000      19.39450000      -1.82985717       0.19577949      -0.28757088
O        4.58997000       0.57427000      19.29122000      -0.65635940       1.92393004       1.76306783
O        3.01058000       3.48124000      19.39491000       1.40754008       0.29989412      -0.38282747
O        4.21048000       2.48838000       0.42509000       0.24708767      -0.70206558       0.78593305
O        1.55772000       2.24941000       0.41454000      -0.99803640       2.36399771      -0.42868906
O        2.81797000       0.10497000       0.44033000       1.39556226       0.88137372       0.33885133
O        1.24441000       4.16473000       9.98906000      -0.81130133       0.58489090      -1.10697274
O       -1.46156000       4.28938000       9.96920000      -0.13936791      -1.04546097      -0.22903672
O       -0.30902000       1.88452000       9.85987000       1.77397363      -0.39308373       0.61976715
O        1.54248000       0.93885000      12.38728000      -0.93500298       0.03949714      -1.11124521
O        4.13472000       0.89270000      12.17164000       1.61464144       0.54928069       0.59987908
O        2.77225000       3.42146000      12.30176000       0.84545506      -0.92165752      -0.19128711
O       -0.98097000       2.66524000      21.76767000      -2.94161239      -1.28851349      -0.90233746
O        1.60386000       2.59194000      21.73496000      -0.45126028      -0.26498698       0.70778285
O        0.00161000       4.98086000      21.82335000       1.30773049       0.79382709      -0.44235768
O        1.40522000       4.29591000       2.75963000       0.50038151       0.00961017      -2.22151176
O       -1.68884000       4.30180000       2.67909000       1.30552321      -1.79128803      -0.17614451
O        0.00765000       1.48795000       2.70929000      -1.28107205       0.41605561       0.12266503
O        0.96748000       0.76482000       5.11651000       2.63844696      -0.23819420      -0.22817676
O        4.31955000       0.75318000       5.25665000       0.81710234       0.58655937      -0.91551083
O        2.76489000       3.45472000       5.25027000      -0.22087125       0.18330300      -0.86006978
O       -1.41593000       2.47636000      14.70567000       0.23664012      -0.93367507      -0.93687649
O        1.74239000       2.59528000      14.72378000       0.50282884      -0.63619404       0.66555626
O        3.17948000       0.13031000      14.68535000       0.19563238       0.47797166      -0.53940130
O        1.38435000       4.15291000      24.36312000       0.88454774       0.99430832      -1.06730186
O       -1.45591000       4.10124000      24.23427000       1.18816817       2.19974697      -1.04740112
O       -0.02502000       1.87887000      24.35645000       0.73278335      -0.23800790      -0.98679470
O       -2.86753000       5.10723000      21.53100000       0.67818385      -0.18485573       0.70783692
O        2.93795000       1.86754000       2.58020000      -0.59422696      -3.28285686       1.48609793
O       -0.02497000       3.38055000      12.14274000      -1.35634985       0.49947736      -0.27466550
O        2.67363000       5.10201000       7.43630000       1.37960500       0.84881084      -0.51821198
O        3.23680000       1.61758000      16.77052000      -0.31946262       1.02748450       1.16906768
O       -0.00209000       3.40580000      26.53612000       0.22075728       0.60305758      -0.97281455
O        2.83503000       5.01901000       0.63667000      -0.20300986       0.95654729      -1.91382186
O        2.86909000       1.75387000      10.03692000      -0.77210697      -0.06127503      -0.32060453
O        0.17951000       3.43749000      19.63838000      -0.47714875      -1.21888198      -1.81957051
O        0.06001000       1.53538000      17.01457000       2.40400501       0.75854109       0.59977169
O        1.82599000       4.29909000      16.75464000      -0.04211132      -0.86312558       1.87071664
O       -1.29328000       4.31033000      16.86384000       0.03986636       0.94991639       1.23665372
O        2.97376000       3.17297000      26.63171000      -0.15814118       2.31972839      -0.33373808
O        1.65946000       0.92822000      26.52869000      -0.01003686      -0.23720099      -0.46836322
O        4.30028000       0.92111000      26.49547000       0.55489485       0.31150129       0.24922901
O       -0.18342000       4.91698000       7.49051000      -0.28641855       1.68409538      -0.82100861
O       -1.48208000       2.77271000       7.42956000      -0.72772842      -1.88613969       0.02488998
O        1.17498000       2.67425000       7.44473000      -0.31068094      -0.05057856      -0.24675039
Zn       0.08721000       0.03464000      27.26066000      -0.68140218      -0.02668259      -0.28998620
Zn       2.72044000       1.74290000       7.91928000       1.35702192      -0.43908996       1.38819912
Zn       0.31339000       3.42088000      17.67401000      -0.73407134      -0.02643646      -0.74070211
Zn       2.90098000       5.05418000      23.45731000       0.31889646       0.90917846       0.79486486
Zn       2.76483000       1.51911000       4.48711000      -0.56541671       0.73784106       0.72996553
Zn       0.08778000       3.40646000      14.05092000       0.80374657       0.29202657      -0.07131149
Zn       0.09266000       0.10988000      13.50036000      -0.25604677      -0.65339202      -1.02077594
Zn       3.16936000       1.70990000      22.85737000      -0.41702900      -0.03081891      -0.47137439
Zn      -0.01194000       3.47064000       3.63763000      -1.33602150      -1.28154315       1.42415370
Zn       5.78018000       0.00133000       9.36696000      -0.31589147       0.19568368       0.50858706
Zn       2.93396000       1.71405000      18.77759000       1.47420561      -0.72393305      -0.97086083
Zn      -0.22272000       3.47582000      28.50377000       1.87741585      -1.14115395      -0.88583181
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.1439081 magmom=71.9983737 free_energy=-552.1439081 stress="-0.03317833155214644 -0.006546550750917062 -0.0007283000231381232 -0.006546550750917062 -0.03164608224321931 0.003841730256260147 -0.0007283000231381232 0.003841730256260147 -0.03694674175213131" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.66710000       0.72949000      15.78544000       1.64071782       3.09158231      -1.33021260
Cr       4.68255000       0.85185000      15.70546000      -0.95190380      -0.96410160       0.82960623
Cr       3.23897000       3.43571000      15.80277000      -0.18824001      -1.34170016      -0.23901653
Cr      -1.41420000       2.55558000      25.38241000      -0.27311077       0.09990743      -0.50362083
Cr       1.56757000       2.63131000      25.61725000       0.04455323      -0.19796571      -3.22590634
Cr       2.92476000       0.01465000      25.23206000       0.32793268       1.32566435       1.80159102
Cr       1.30701000       4.22584000       6.30020000      -1.66764935       0.39769886       0.23817258
Cr      -1.73836000       4.41321000       6.41822000       0.53388934      -2.53575185      -1.19237146
Cr      -0.24755000       1.78880000       6.32312000       0.26951518      -0.47622401      -1.31120178
Cr      -2.71473000       5.06338000      18.21430000      -2.60242544      -1.75432473      -2.17883089
Cr       2.96575000       1.72505000      27.90297000      -0.58692237       0.25210234      -2.38688285
Cr      -0.14199000       3.54046000       8.78706000      -1.50428002      -1.48584345      -1.37621654
Cr       2.84808000       4.90816000       3.96027000      -0.68233620       1.34825149      -0.76660460
Cr       2.94916000       1.84673000      13.33015000      -1.23684786      -1.74320174       1.68264735
Cr       0.24304000       3.38970000      23.00862000      -1.93657524      -0.77413053      -1.80811078
Cr       0.23242000       1.57340000      20.42200000      -2.32050334       2.16192059       2.98306642
Cr       1.51819000       4.16539000      20.54298000       1.79844988       1.23071189       1.10851547
Cr      -1.30535000       4.25851000      20.61926000       0.60866218      -1.85417983       1.05298980
Cr       2.90116000       3.35419000       1.56384000      -2.38282038       1.37410196       1.27582305
Cr       1.33512000       0.85525000       1.63038000       0.17257199      -0.59391638      -0.22552928
Cr       4.27706000       0.88197000       1.60814000       2.55622733      -2.58366337       2.42104031
Cr       2.77369000       0.06722000      11.09202000      -0.29082486      -1.40054735       1.68125627
Cr       4.21013000       2.54212000      11.11978000       1.93081903      -0.40955593      -1.28288422
Cr       1.35283000       2.56902000      11.01751000      -1.37381163       2.43325078       0.32422909
O        1.46569000       0.64672000      19.29284000       2.39505509       1.29281550       2.13812281
O        4.50119000       0.54625000      19.29693000       1.81597117       1.26428924       0.05706172
O        3.10151000       3.45518000      19.56700000       0.06901634       0.59013991      -1.23246550
O        4.27046000       2.47676000       0.64194000      -0.04729744       0.58189623      -2.66827646
O        1.25503000       2.45331000       0.46363000       4.26161766      -1.22869155       0.62160631
O        2.90913000       0.25717000       0.48962000      -1.50498471      -1.72987619      -1.08185908
O        1.13463000       4.26527000       9.99564000       1.23612918       0.47631334      -0.80187964
O       -1.56932000       4.14311000      10.00657000       0.22944412       1.04540397      -0.59363695
O       -0.12585000       1.90614000       9.92053000      -0.40683878      -0.09794981      -0.24381894
O        1.36691000       1.23141000      12.27292000       0.83262371      -3.01595179       1.09192787
O        4.22967000       0.85416000      12.31377000       0.03975431       0.43746860      -2.16574664
O        2.85596000       3.35700000      12.21217000      -0.47240525       1.27588615      -0.16317982
O       -1.14189000       2.53942000      21.89465000       0.64839306       0.73825966      -1.73484864
O        1.61800000       2.57699000      21.70244000      -1.11688005      -0.06126457       0.22569728
O        3.12156000       0.03353000      21.79442000      -0.03444466      -2.40892258      -0.82143439
O        1.46558000       4.23474000       2.66019000       0.40967314       0.07388388       0.42267103
O       -1.56484000       4.17547000       2.64814000      -1.30531431       0.88378601       0.65177833
O       -0.09321000       1.41416000       2.78223000      -0.33992301       0.63650059       0.66178982
O        1.10664000       0.81735000       5.15464000      -0.22179304      -0.56643868       0.70101857
O        4.38890000       0.78006000       5.20593000       0.21737007      -0.87813418      -0.67808484
O        2.70630000       3.40124000       5.22885000       0.80162602       0.55922819       0.23611519
O        4.37672000       2.32935000      14.47924000       1.46188712       1.65284269       1.83413256
O        1.83676000       2.59336000      14.80075000      -1.87862236      -0.40060639      -0.65070774
O        3.17861000       0.19423000      14.40050000      -0.87330832      -1.17778476       2.72605414
O        1.39344000       4.18104000      24.24461000       1.21027528       0.70425507       1.19777794
O       -1.38696000       4.19311000      24.22492000       0.53497260      -0.41101983      -0.48392289
O        0.16731000       1.90051000      24.25806000      -0.32558567      -0.80534455       0.50840425
O       -2.71465000       5.10610000      21.50349000      -1.68122639      -0.05353260       1.15129151
O        2.83308000       1.62959000       2.62797000      -0.34127953       1.01033684      -0.31456210
O       -0.23429000       3.37445000      12.00233000       1.19996399       0.96815517       1.83282426
O        5.67588000       0.09081000       7.42255000      -0.45914744      -0.27697182      -0.57374845
O        3.14492000       1.70176000      16.84255000       0.57325112      -0.38590906      -1.28587987
O        0.08161000       3.38678000      26.40551000      -1.72785927       1.26866639       1.55967144
O        5.77263000       0.03970000       0.60075000       0.18749563      -0.84174362      -0.40816653
O        2.76754000       1.66555000      10.03439000       0.32216549       0.60318701      -1.23224552
O        0.06165000       3.35167000      19.52381000       0.36843427      -0.63590876       0.43375321
O        0.27468000       1.56220000      16.95312000      -0.52765784      -1.15715345      -0.49181656
O        1.98393000       4.25491000      16.98190000      -1.41504255       0.63519320      -0.96833789
O       -1.20226000       4.32000000      16.88014000      -1.35723358      -0.59251725       0.44765190
O        3.01256000       3.33766000      26.69984000       0.62655319      -0.63332997      -0.24651868
O        1.60255000       0.98290000      26.55175000       1.32450986      -0.35711320       0.26583154
O        4.24293000       0.94935000      26.41144000       0.51415427      -0.30498067       1.54836837
O       -0.26600000       5.02450000       7.38687000       1.32496522       0.32412730       0.73724178
O       -1.50292000       2.64299000       7.43011000      -0.49917746       1.73496829       0.67129432
O        1.01857000       2.64461000       7.46536000       1.88685380       0.52968453       0.16000400
Zn       0.16632000       0.06734000      27.32321000      -1.41588877       0.05633370      -0.55614681
Zn       2.78626000       1.80572000       7.87742000      -0.72300932      -0.34041568       1.16686764
Zn       0.27018000       3.38722000      17.65670000       0.81243219       0.13090899      -0.88086694
Zn       2.89500000       5.07844000      23.45422000       0.96595992       0.83742498       0.28745448
Zn       2.74183000       1.50701000       4.49247000       0.48269697       0.60407489       0.82113109
Zn       0.04895000       3.31456000      14.08712000       1.15618314       0.88409096      -1.07783376
Zn       0.07266000       0.15122000      13.38321000      -0.46066750      -0.39829350      -0.86320489
Zn       3.24281000       1.69109000      22.84715000      -0.56091736       0.34985304       0.10813890
Zn      -0.05533000       3.34406000       3.62678000       0.07030215      -0.42277986       0.64973513
Zn       5.80020000       0.05335000       9.34157000      -0.59366274       0.13722460       0.68392577
Zn       2.95067000       1.74206000      18.74346000       1.26176491      -0.35541499       0.37083624
Zn      -0.12652000       3.43831000      28.54009000      -0.83641503       1.65076503      -1.32253875
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.96351052 magmom=72.0020531 free_energy=-551.96351052 stress="-0.04253644693427797 -0.0001842122436243204 0.013204652992275145 -0.0001842122436243204 -0.041741429959580155 0.002760328007901986 0.013204652992275145 0.002760328007901986 -0.04744988217468814" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.63911000       0.72764000      15.78306000       0.79611678       0.62583366      -1.56824722
Cr       4.55139000       0.82879000      15.64848000       1.71563872      -1.51049653       1.49596398
Cr       3.11880000       3.36891000      15.80950000      -0.15266202       1.19299179      -0.81338409
Cr      -1.34990000       2.39643000      25.34698000      -0.17770562       2.25682250      -0.02803168
Cr       1.59803000       2.66524000      25.65246000      -0.61545937       1.54650382      -2.79632672
Cr       2.87230000       0.02507000      25.30884000       2.78481266       0.45374820       0.26651761
Cr       1.20182000       4.13039000       6.23434000       0.48521034       2.19320897       0.11156826
Cr      -1.69011000       4.39207000       6.44389000       0.11724891      -1.24161445      -0.38229141
Cr      -0.36671000       1.80749000       6.27190000       2.38966045      -0.18451884       0.48346782
Cr      -2.58664000       5.00230000      18.20762000      -1.52138926       1.40092444       0.81373061
Cr       2.90572000       1.77397000      27.90622000       2.89523106      -0.50393867      -1.12961913
Cr      -0.18080000       3.58446000       8.79331000       0.55201508      -0.71210040      -2.41057779
Cr       2.81132000       4.99585000       4.09536000       2.43503996      -1.14767695      -3.27757470
Cr       2.92518000       1.86966000      13.35797000      -0.06183850      -1.80023680       0.04857435
Cr       0.26105000       3.24939000      22.90574000      -1.74558219       2.46096112       2.88619046
Cr       0.18364000       1.58832000      20.47740000      -0.12918890      -0.05212002       1.87810899
Cr       1.48362000       4.26391000      20.55476000       4.89792562      -1.75988384      -2.79859076
Cr      -1.26991000       4.15084000      20.74158000      -1.47327865       1.59273128      -2.22895003
Cr       2.84684000       3.42603000       1.60058000       3.66515152      -0.71095141       0.75964854
Cr       1.28663000       0.93302000       1.64040000       0.12022509      -2.77433194       0.20967308
Cr       4.34121000       0.78414000       1.66137000      -1.97372652       0.83205210      -0.93976737
Cr       2.74008000       0.05106000      11.16441000       0.01293224       0.26734725      -1.50835493
Cr       4.20808000       2.51761000      11.04202000       1.46524039       1.31270149      -1.55741956
Cr       1.29767000       2.61771000      11.00621000       1.24323183       1.67121618       1.22384422
O        1.69234000       0.75849000      19.52640000      -1.16096771      -1.16098221      -0.55557498
O        4.76001000       0.74878000      19.35485000      -0.47238869      -0.69414261      -0.75967079
O        3.22214000       3.57797000      19.50738000      -1.04691086      -1.00488772      -0.59969126
O        4.32625000       2.48440000       0.48538000      -0.86939105      -0.56163454       0.75737155
O        1.64206000       2.52311000       0.57344000      -3.11939768      -0.33393679      -2.27841255
O        2.81028000       0.14960000       0.40746000      -0.00018481       1.14692452       0.93058487
O        1.14144000       4.42575000       9.88136000       0.26120986      -1.11056770       0.97534214
O       -1.56882000       4.14263000       9.97069000      -0.30081512       1.47025543       0.02678370
O       -0.04554000       1.96167000       9.93735000      -1.94243821      -0.53728212      -1.06724003
O        1.40814000       1.07402000      12.23277000       0.75158784       0.17014729       0.26704397
O        4.25011000       0.95525000      12.07529000      -0.57382379      -0.76788246       1.74541591
O        2.86304000       3.36468000      12.09506000      -1.04733246       0.28204528       1.14487293
O       -1.18986000       2.55542000      21.68515000       0.01774548      -1.56867267       1.41633329
O        1.40708000       2.58503000      21.68721000       2.85341416      -1.11745190      -1.01314875
O        0.28399000       4.86293000      21.67556000      -2.73126332       1.86369238       3.11340730
O        1.62264000       4.26692000       2.66087000      -2.84808453      -0.31939259       2.14085763
O       -1.72030000       4.20690000       2.76004000       0.76631065       0.96220976       0.55305230
O       -0.24998000       1.41454000       2.93589000       1.43362358       1.13635218      -1.35241089
O        1.19984000       0.74447000       5.32187000      -0.85278229       1.69491556      -1.31785588
O        4.48021000       0.66426000       5.10089000      -3.48301993       1.45229610       1.26213760
O        2.77514000       3.48613000       5.27795000       0.42676654      -1.51945596       0.15194244
O        4.39786000       2.40691000      14.56482000      -0.71162603       0.53165954       0.15973259
O        1.68723000       2.48036000      14.74635000      -0.05340072       0.30730673      -0.27961354
O        3.02290000       0.15961000      14.59512000       0.88042789      -0.69978514      -0.90567217
O        1.51223000       4.28852000      24.35873000      -0.96677896      -1.22763243      -0.14441980
O       -1.17313000       4.22965000      24.08642000      -1.08326585      -1.36274916      -0.31682026
O        0.29253000       1.85385000      24.25228000      -0.61763012      -0.50760154       0.97712477
O       -2.81920000       5.07488000      21.59491000      -0.21271419      -0.40463288      -0.23232443
O        2.72657000       1.49954000       2.63984000       1.77642529       1.77146057       0.56794385
O       -0.26770000       3.50757000      12.11770000       1.00875358      -1.15038725       0.34206202
O        5.65484000       0.13389000       7.24891000      -0.77435920      -0.62686533       1.99235363
O        3.13930000       1.71494000      16.67851000      -0.01325911      -1.22902607       2.02990603
O       -0.06217000       3.53381000      26.43234000       0.82029838      -1.35994735       0.52397974
O        5.78003000       0.04095000       0.57222000       0.18553169      -0.16501309       0.47315266
O        2.69480000       1.68447000       9.92159000       0.35822386       0.42355250       0.76427995
O        0.02760000       3.17245000      19.50304000       0.95957264       2.43056201      -0.51836453
O        0.35841000       1.42393000      16.84655000      -2.80797860       1.26468619       1.40550003
O        1.89829000       4.28739000      17.00830000      -0.67450277       0.32093867      -0.87046401
O       -1.35054000       4.25307000      16.91735000       0.46928353      -0.79228825      -0.59141878
O        3.14633000       3.39305000      26.62230000      -0.58330717      -1.24092686      -0.15941273
O        1.78076000       0.97773000      26.56031000      -2.52578536       0.13594181       0.55624227
O        4.26523000       0.95315000      26.58817000       0.58334486      -0.30653427       0.09339523
O        2.79724000       0.01040000       7.35476000       0.04506245      -0.99998245       0.47762566
O       -1.51905000       2.80274000       7.49599000       0.16087183      -0.51732246       0.21874778
O        1.10415000       2.73297000       7.47266000      -0.56726754      -0.97348928       0.06774029
Zn       0.17175000       0.10674000      27.34646000      -0.70081801       0.04860637      -1.55266857
Zn       2.81861000       1.85011000       7.90147000      -0.97179326      -0.26314977       1.01697268
Zn       0.26210000       3.35564000      17.59393000       0.14826709      -0.54120310      -0.14802908
Zn      -0.00416000       0.03881000      23.47092000       1.07395897      -0.16660263       0.86813369
Zn       2.74007000       1.53364000       4.53646000       0.61667153       0.63752628       0.38250904
Zn       0.07438000       3.27160000      14.07430000       0.60795394       1.40106822      -0.82453579
Zn       0.02685000       0.16725000      13.24165000      -0.65300559      -0.78948939       0.06525730
Zn       3.28755000       1.68399000      22.84419000      -0.60052098      -0.08518896      -0.18790944
Zn      -0.11502000       3.19085000       3.66386000      -0.34153242       1.41427498       0.52806882
Zn       5.78812000       0.11342000       9.34515000      -0.21129905      -0.09551654      -0.56997535
Zn       3.04669000       1.75229000      18.71654000       1.49213972       0.36594796       0.25342498
Zn      -0.03963000       3.45992000      28.50966000       0.09735038      -0.43991982      -0.74181759
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.01798259 magmom=71.9971628 free_energy=-552.01798259 stress="-0.04113326390138772 0.008226862668498126 0.0053049177160980334 0.008226862668498126 -0.035158279298741345 -0.005919465105703782 0.0053049177160980334 -0.005919465105703782 -0.04057720717303828" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.61094000       0.77492000      15.74781000      -1.83232054      -1.47170758       1.10885636
Cr       4.51661000       0.72916000      15.68079000       0.95363680       1.79347391      -0.14566138
Cr       2.98698000       3.36164000      15.81570000       0.08941489      -0.35822393      -0.56460393
Cr      -1.30745000       2.35978000      25.33233000      -0.73767084       1.81530300       0.34850629
Cr       1.61981000       2.74872000      25.57944000      -1.28064188      -2.45959185      -0.47095759
Cr       2.97018000       0.06381000      25.42540000       0.03095231      -1.05955325      -0.64811626
Cr       1.12242000       4.15197000       6.18601000       2.70206934       0.71702574       0.38343384
Cr      -1.63437000       4.32020000       6.42998000      -1.76438956       1.90521770      -0.89218223
Cr      -0.35641000       1.80203000       6.25951000       0.46833539      -1.13574385       1.53490713
Cr      -2.56000000       5.02920000      18.22034000      -0.86147523       1.52484286      -1.56577712
Cr       2.96566000       1.81820000      27.83105000       0.17868060      -2.02444352       0.19132779
Cr      -0.18646000       3.58174000       8.67587000       1.77961489       0.35747419       1.44223978
Cr       2.84854000       5.05541000       4.07215000      -2.79413822       0.03373689       1.00115876
Cr       2.89278000       1.78309000      13.39813000       1.71988818      -0.32519531      -0.28455486
Cr       0.20378000       3.20994000      22.93865000       1.52637305       0.01022782       0.82900204
Cr       0.14169000       1.60546000      20.60333000       3.14652087       0.36890488      -1.15696822
Cr       1.66951000       4.28698000      20.45755000      -2.59486360      -2.34709427       0.65567570
Cr      -1.32188000       4.12323000      20.72624000       0.40801879       0.71848467      -1.31726988
Cr       2.94411000       3.43760000       1.66048000      -0.87174521      -1.77084990       0.74633808
Cr       1.28552000       0.87989000       1.65205000       2.30418065       0.86942622       0.28113649
Cr       4.29341000       0.72575000       1.67073000      -1.46541874       0.94266795       0.01698230
Cr       2.72433000       0.02775000      11.15846000       1.33249834       0.84887898      -1.98551677
Cr       4.27615000       2.56843000      10.89460000      -2.44023570       1.50370336       2.68796758
Cr       1.29453000       2.76369000      11.04912000       0.66629545      -2.01963538      -0.07524757
O        1.77179000       0.70527000      19.71917000      -1.28748684      -0.23434205      -2.02696526
O        4.92476000       0.80484000      19.29774000      -1.64439777      -0.69707895       0.14351724
O        3.16212000       3.53823000      19.35553000       0.08512740      -0.19318702       1.14475401
O        4.24802000       2.41576000       0.46587000       1.25094684       0.94779092       1.12529144
O        1.62074000       2.50549000       0.42757000      -1.07322384       0.69839581       0.48468851
O        2.69261000       0.19761000       0.47617000       1.26258358      -0.53942871      -0.07648727
O        1.15572000       4.34421000       9.94345000       0.07767404      -0.13663584      -0.37451787
O       -1.53205000       4.37041000       9.92239000      -0.05429811      -0.97353302      -0.06148666
O       -0.25556000       2.01613000       9.80507000       1.81432422      -0.57177402       0.16396303
O        1.59185000       0.92898000      12.28519000      -2.78254276       1.28570812       0.38857009
O        4.12542000       1.00240000      12.05499000       1.56338895       0.03506946       1.07255986
O        2.71964000       3.36502000      12.16276000       1.21492581       0.18325418       0.59487847
O       -1.15542000       2.41033000      21.68115000      -1.29284962       0.38974871       1.50052749
O        1.55728000       2.50089000      21.60276000       0.61609993       0.65499133       1.64272048
O        0.09497000       4.73625000      21.88614000       1.16079784       1.86154770      -1.20431003
O        1.40937000       4.25016000       2.95382000       0.53517716      -0.30200772      -1.45266498
O       -1.79122000       4.43126000       2.92558000       2.46725274      -1.52695164      -1.62732353
O       -0.15875000       1.49035000       2.80136000      -0.42565833      -0.07228420      -0.07928116
O        1.06586000       0.86907000       5.32119000       0.80020349      -0.11276746      -0.61333300
O        4.18844000       0.69269000       5.17599000       2.81888748      -0.35684589       0.41294679
O        2.89548000       3.42269000       5.36072000      -0.97060534       0.80714985      -0.88170361
O        4.29542000       2.54883000      14.72746000       0.56872030      -1.33866126      -1.79256040
O        1.59274000       2.35792000      14.65245000       0.45535397       0.73177567       1.13732931
O        3.01897000       0.01893000      14.69600000       0.04081648       0.80060587      -1.40104659
O        1.41612000       4.17877000      24.44421000       0.93507670       1.67250978      -2.09205063
O       -1.12651000       4.03029000      23.99416000      -1.90908033       0.66875283       2.44722536
O        0.27751000       1.78296000      24.42020000       0.10589933      -0.37181440      -0.88306219
O        2.94839000       4.98245000      21.61252000       1.82868548       0.70755640       1.10383066
O        2.89143000       1.71542000       2.63100000      -0.70874883      -0.15561419       0.39875654
O       -0.09815000       3.49164000      12.18890000      -1.01917965      -0.58193540      -1.70234625
O        5.52926000       0.06406000       7.34743000       0.83508028      -0.12880913      -0.52290338
O        3.11565000       1.55870000      16.76662000      -1.08243378       0.65076673       0.69312822
O       -0.07218000       3.47412000      26.46816000       1.07744025      -0.26941271      -0.03523030
O        2.85702000       5.08372000       0.67802000      -0.37663590       0.03834395      -1.60093838
O        2.69884000       1.81910000       9.97621000       0.22514327      -0.27448623      -0.33508661
O        0.18637000       3.36175000      19.53108000      -0.35552170      -0.17674656      -0.20945556
O        0.01387000       1.43806000      16.89546000       1.99786444       0.05059745      -0.19934213
O        1.70054000       4.37496000      16.83065000       0.48700201      -1.36507074       1.71315632
O       -1.47483000       4.07803000      16.84606000       0.51397667       1.80270508       0.64202287
O        3.20343000       3.19878000      26.46308000      -0.19562571       1.77325912       1.00677459
O        1.64049000       0.96710000      26.59578000       0.92034969       0.84116478      -0.62805056
O        4.36792000       0.92919000      26.73203000      -0.60383173      -0.40726510      -1.39843663
O       -0.05693000       5.00429000       7.39384000      -1.54662062       1.81132568       0.06026990
O       -1.48242000       2.85643000       7.55673000      -1.46656627      -2.21645613      -0.89648281
O        1.08218000       2.70159000       7.42773000      -0.14180479      -1.14514999      -0.27633687
Zn       0.13482000       0.14815000      27.29585000      -0.53221341      -1.11967096       0.31463305
Zn       2.79545000       1.87647000       7.98338000      -0.51262435      -0.55779297       0.53665282
Zn       0.26124000       3.29596000      17.51184000      -0.82724937      -0.17570153       0.34639756
Zn       0.10830000       0.10325000      23.53389000       0.24302316      -1.45314982       0.37283518
Zn       2.76329000       1.60332000       4.60128000      -1.70135171       1.24986522      -0.92149275
Zn       0.11977000       3.30203000      14.02589000      -1.31247884       0.33871708       0.65843992
Zn      -0.05466000       0.14263000      13.10724000      -0.37538031      -0.58527510       0.31842706
Zn       3.29366000       1.66881000      22.84526000      -1.10474820      -0.43929564      -0.34967376
Zn      -0.18686000       3.11334000       3.74625000       0.11849803       2.02247910       0.77952399
Zn       5.75820000       0.16761000       9.31795000      -0.65158810      -0.43818330      -0.36242684
Zn       3.21777000       1.76861000      18.70502000       0.02383595      -1.42031347       0.40689273
Zn       0.03957000       3.47733000      28.43490000      -0.75298933      -0.12376904       0.27360617
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.39093239 magmom=71.9972015 free_energy=-552.39093239 stress="-0.03644020499490739 0.0016761362668362314 -0.005471599333176339 0.0016761362668362314 -0.033069372328966146 -0.005663228586789276 -0.005471599333176339 -0.005663228586789276 -0.03534452694842369" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47169000       0.73754000      15.81635000       1.03356207      -0.65850501      -1.57877604
Cr       4.53812000       0.71212000      15.72114000      -1.88786543       1.13228657      -0.57902882
Cr       2.88778000       3.35379000      15.81546000       1.88315682      -1.05078913      -0.19743213
Cr      -1.32605000       2.43467000      25.36347000      -0.84026092      -0.48794218       0.94179320
Cr       1.60534000       2.69636000      25.49695000       1.62745643      -0.63121370      -1.89474429
Cr       3.08194000       0.04512000      25.51055000      -2.03878321      -1.48430831      -3.06264717
Cr       1.18179000       4.22215000       6.19136000       0.10391370      -1.03333070       1.68523868
Cr      -1.67744000       4.33898000       6.37388000      -0.59073366      -0.18611059      -0.30429002
Cr      -0.30784000       1.72660000       6.33931000      -0.65911222      -0.65278704      -0.58032066
Cr       0.35886000       0.03120000      18.18062000      -2.31840089      -1.89033928       0.07150199
Cr       3.03034000       1.77120000      27.75296000      -0.82519159       0.63111196       2.70414065
Cr      -0.10845000       3.57541000       8.60826000      -1.32169511      -1.01836463       0.36120596
Cr       2.77375000       5.09499000       4.03303000      -0.34116448       0.19286751      -1.67434148
Cr       2.93657000       1.67674000      13.42304000      -1.04427827       0.69090935       0.37949656
Cr       0.19419000       3.22639000      23.04065000       0.16591876       1.53451782      -0.34948779
Cr       0.27169000       1.63370000      20.66997000       0.00005365       0.07434648      -0.17143184
Cr       1.75959000       4.18825000      20.40777000      -2.25983818       0.47000366       4.27222811
Cr      -1.35312000       4.16949000      20.60785000       2.34526603      -0.96586448       1.93441292
Cr       3.02823000       3.38412000       1.73696000      -1.73006546       1.98138913      -1.57524984
Cr       1.39988000       0.86041000       1.66279000      -1.48084631       1.15624788      -0.87237587
Cr       4.17395000       0.73465000       1.66351000       3.94240909       0.25639191       0.95449555
Cr       2.77341000       0.07794000      11.06380000       0.10550879       1.49301467       0.87123369
Cr       4.23238000       2.70068000      10.88807000       0.93332338      -0.06818883       2.65534091
Cr       1.36060000       2.77394000      11.09945000      -0.42900515      -3.14709545      -0.01829927
O        1.56722000       0.62189000      19.52205000       0.74939926       1.60727830      -0.59089492
O        4.79689000       0.70095000      19.29933000       1.43396090       0.26947474       1.37813366
O        3.11290000       3.47507000      19.37071000       1.62253055       0.21892644      -1.00890045
O        4.33017000       2.48226000       0.62592000      -0.41090595      -0.28332225      -1.53497659
O        1.44761000       2.45664000       0.36367000       2.73611707      -0.78249250       0.96503419
O        2.80327000       0.21538000       0.52502000      -0.24863336      -0.94876975      -2.18124378
O        1.14929000       4.24085000       9.93130000       1.19803213       1.90846218      -0.93035413
O       -1.46679000       4.40831000       9.87205000      -0.95907265      -0.42507712      -0.54191804
O       -0.21613000       2.04637000       9.76803000       0.56380342      -0.61319774       0.90474348
O        1.42944000       1.02011000      12.31191000       0.44426978      -0.07557205      -1.30938668
O        4.20663000       1.03444000      12.18953000       0.28982569      -0.46442732      -1.91426704
O        2.75162000       3.33077000      12.31924000       0.76110645       0.49668547      -0.80771810
O       -1.15279000       2.31120000      21.89668000       1.10030298       1.33360022      -1.35688463
O        1.76273000       2.53494000      21.74752000      -1.90832460       0.26971610      -0.19197496
O        0.05204000       4.83159000      21.91551000       0.35534242      -0.28355338      -1.06595012
O        1.32307000       4.22705000       2.98829000       1.16861560       0.24034774      -1.09013731
O       -1.57324000       4.43737000       2.87747000      -1.06355578      -1.03320963       0.40423603
O       -0.13955000       1.49263000       2.65276000      -0.62829617       0.18900763       1.97707647
O        1.03349000       0.96257000       5.18970000       1.25388094      -1.21112266       0.44257986
O        4.31298000       0.73247000       5.31421000      -0.76401043       1.04562272      -2.24782420
O        2.83131000       3.54803000       5.30249000      -0.63141810      -0.08369500      -0.69818774
O        4.22653000       2.44272000      14.62231000       1.71061903       0.21414588       0.53466311
O        1.64425000       2.33890000      14.75679000      -1.68168533       0.90715164      -0.70963179
O        3.06192000       0.08407000      14.56122000      -0.64830601      -0.35692962       0.71161309
O        1.43330000       4.25124000      24.23432000       0.33076984      -0.00631012       0.75540724
O       -1.31279000       3.91334000      24.29470000       1.02267619       2.49100695      -1.54208742
O        0.24045000       1.74609000      24.45172000       0.05709463       0.59917195      -1.03207138
O       -2.78273000       5.00244000      21.65869000       0.10992984       0.40714809      -0.48586466
O        2.94396000       1.83384000       2.70825000      -1.02095889      -2.25744902       0.93718342
O       -0.14943000       3.41563000      11.96234000      -1.09541444       1.26587250       1.84748761
O        2.61565000       5.07029000       7.35117000       0.57308328       0.07671249      -0.08037148
O        2.90304000       1.50033000      16.88879000       0.64769693       0.88672651      -0.83352426
O        0.12077000       3.35892000      26.42439000      -0.91750402       1.14439651       1.12610011
O        2.83950000       5.01840000       0.60580000       0.17536612       0.31042648       0.13820090
O        2.75509000       1.90655000      10.04357000      -0.40893080      -1.23681507      -0.91654070
O        0.26125000       3.51895000      19.52862000      -1.58163901      -2.30655603      -0.87328881
O       -0.02940000       1.44139000      16.89923000       1.17189578       0.32585511      -0.01016345
O        1.63036000       4.29574000      16.88509000       0.91452111       0.31755549       0.54177116
O       -1.53151000       4.18825000      16.82664000       0.41789839      -0.18087752       0.56491012
O        3.21133000       3.29760000      26.46603000      -0.82597660       0.40487707       1.13815608
O        1.64933000       1.08493000      26.51524000       0.82548615      -1.47557911       0.78308563
O        4.35344000       0.87143000      26.57646000       0.66974137       0.62904281       0.96507210
O       -0.21777000       5.08105000       7.39481000       0.43195052       0.14550068      -0.24636151
O        4.32922000       2.61493000       7.45187000       0.29163337       1.98497411       0.18616768
O        1.00222000       2.53887000       7.33816000       2.14221185       1.76820817       1.20976753
Zn       0.07685000       0.13011000      27.25374000       0.76880346      -0.82805611       0.46876096
Zn       2.73541000       1.87067000       8.09363000      -0.82827663      -0.55962268      -0.14101601
Zn       0.21525000       3.22806000      17.45364000      -1.05546881       0.91865000       1.13988543
Zn       0.23424000       0.08817000      23.62515000      -0.19269960      -1.86686814      -0.39222887
Zn       2.72441000       1.72306000       4.62854000       0.21960652      -0.23058759      -0.03384499
Zn       0.10341000       3.35133000      13.99618000      -0.82764174      -0.55619722      -0.14629496
Zn       5.74232000       0.08598000      13.00328000       0.33706882      -0.10588374       0.88788676
Zn       3.23668000       1.62701000      22.84868000      -0.92996158      -0.75787839       0.34815827
Zn      -0.25092000       3.14382000       3.87102000       0.48150868       0.87748480      -0.49337699
Zn       5.70077000       0.19817000       9.26614000       0.02375034      -0.39958598       0.27178932
Zn       3.39027000       1.72061000      18.71805000      -1.47928337      -0.43927032       0.14373369
Zn       0.06038000       3.49475000      28.36683000      -1.26586336       0.17662962       0.66301907
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.73572818 magmom=72.0046381 free_energy=-552.73572818 stress="-0.02685009554597041 5.45686404763197e-05 -0.008070843521323715 5.45686404763197e-05 -0.0512319414503842 0.0074129732176903326 -0.008070843521323715 0.0074129732176903326 -0.039712410937709275" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37788000       0.65655000      15.86205000       2.92292494       1.54468687      -3.98529946
Cr       4.47098000       0.76351000      15.74243000      -0.34022392      -0.62805018       0.54337213
Cr       2.89325000       3.30139000      15.82529000       1.28329768       0.07750547      -0.38993085
Cr      -1.41272000       2.51465000      25.46752000       1.32361677       0.94572320      -0.76089462
Cr       1.68186000       2.57648000      25.37660000       0.12944571       0.84127209       0.05537148
Cr       0.14041000       5.07951000      25.46570000       0.16388447       0.47770171      -1.38093632
Cr       1.24835000       4.25715000       6.28437000      -1.71714018       1.17981390      -1.09718069
Cr      -1.74245000       4.34769000       6.29431000       1.87657281      -1.51889562      -1.40274934
Cr      -0.26675000       1.63768000       6.40094000       0.95275315       1.67499904      -1.85619678
Cr       0.20799000       0.03477000      18.12140000      -0.75228112      -2.13220725       3.12310034
Cr       3.03965000       1.74595000      27.79272000       1.08853864       0.20573479       0.91908181
Cr      -0.09521000       3.51908000       8.58904000      -1.76038130       0.70938412       1.12552900
Cr       5.63117000       0.03549000       3.90907000       2.49761736      -0.67598477       1.34658222
Cr       2.94480000       1.63030000      13.44724000      -1.03580333       1.64419082      -0.80653110
Cr       0.20027000       3.34753000      23.10164000      -0.53451774       1.41110376      -1.87862589
Cr       0.40679000       1.65511000      20.69591000      -1.94756118      -0.34311271      -1.44478322
Cr       1.72219000       4.09437000      20.55085000      -0.00012637       1.37068441       0.79166058
Cr      -1.25016000       4.18269000      20.55600000       0.68408749      -0.37605009      -0.16929364
Cr       3.01456000       3.39880000       1.72028000      -1.41689275      -1.03534494      -1.14131130
Cr       1.43814000       0.88730000       1.63561000      -1.48508593      -2.17357120       0.32419422
Cr       4.25589000       0.77170000       1.67349000       1.29941854       0.23113238      -1.36667804
Cr       2.82886000       0.19813000      10.99837000      -0.63711328      -2.68803518      -0.42908299
Cr       4.21523000       2.81712000      11.02716000       1.65898779      -1.68670073      -1.40298764
Cr       1.39347000       2.62178000      11.14009000      -2.40033121       3.16504325      -1.82367291
O        1.52400000       0.80585000      19.25744000       1.82581022      -0.15377818       1.17705204
O        4.88293000       0.63981000      19.57401000      -0.50281010       0.96083505      -1.12992743
O        3.26561000       3.52198000      19.32535000      -0.83202834      -0.48269181       0.30586395
O        4.33197000       2.50457000       0.55092000       0.51538144      -0.44080515      -0.60509092
O        1.78597000       2.30356000       0.47217000      -2.17431699       2.84692114      -0.44702455
O        2.92574000       0.13313000       0.28021000      -0.13878187       1.07557277       1.71773452
O        1.23294000       4.39752000       9.79195000      -1.40531499      -1.27790072       1.22974023
O       -1.50942000       4.32248000       9.77672000       0.09648148       0.59773584       0.52203931
O       -0.04702000       2.02839000       9.89975000      -0.59124392       0.10255473      -0.19202387
O        1.36434000       1.09447000      12.12161000       0.96460428      -2.05610793       1.85791117
O        4.25467000       1.03667000      12.02979000      -0.55060306       0.05338904       0.92153244
O        2.89729000       3.30759000      12.30539000      -1.29840501       0.15769374       0.14342477
O       -0.95057000       2.49361000      21.86565000      -2.21980730      -0.25579582      -0.65637093
O        1.58275000       2.64249000      21.87140000       1.38983817      -0.56594901       0.13787733
O        0.10993000       4.84950000      21.73317000       1.59436936       0.82706525       0.52845757
O        1.49741000       4.28377000       2.75745000      -1.01484514      -1.20534310      -0.50091617
O       -1.60062000       4.27023000       2.81192000      -0.36428074       0.92959812       0.63802648
O       -0.21559000       1.49754000       2.81632000       1.04780022       2.02044637      -1.46056361
O        1.15212000       0.79163000       5.17057000      -0.71024262       0.72437620       0.31755656
O        4.38890000       0.86369000       5.13715000      -1.38200467      -0.26492778       0.88407293
O        2.65597000       3.69393000       5.14675000       0.74264520      -1.85533173       0.52643433
O        4.39584000       2.31507000      14.58227000      -0.97621693       0.78722209       0.41338064
O        1.48949000       2.45117000      14.76899000       0.93255037      -0.93068306      -0.67276195
O        2.98075000       0.13688000      14.59194000      -0.47059896      -1.41860547       0.73807279
O        1.48304000       4.32689000      24.16144000       0.68242876      -0.49505300       1.47796004
O       -1.26613000       4.13980000      24.42214000       1.74814614      -0.67390597      -0.43205157
O        0.19562000       1.86883000      24.31654000      -0.31753087      -0.94469421       0.60904844
O       -2.55788000       5.10553000      21.61130000      -1.27621570      -1.21536143       1.35519198
O        2.82216000       1.59305000       2.76612000       0.63840113       0.88799249      -0.90490338
O       -0.30578000       3.58792000      12.01875000       2.40179370       0.45676939       0.95249140
O        2.74963000       5.01962000       7.29546000      -1.20301155       1.02753321       1.39004582
O        2.82260000       1.61003000      16.79352000       1.71619237      -0.25929517       0.62050273
O        0.21321000       3.41309000      26.44024000      -0.38257725      -0.77383561      -0.10787116
O        2.85339000       5.03094000       0.59982000       0.48195394       0.80476135       0.08022953
O        2.78293000       1.81013000      10.03661000       0.32321961       1.29028083      -0.01964075
O        0.12766000       3.28502000      19.46974000       1.27019825       0.13821154       0.34896152
O        0.07705000       1.47295000      16.86272000      -1.96290745      -0.00871762       0.03592900
O        1.74473000       4.26084000      17.00447000      -1.02235757       0.64023070      -0.59763138
O       -1.50177000       4.22079000      16.90835000      -0.20576404      -1.24832049      -0.44363178
O        3.10182000       3.42731000      26.60548000       0.01139561      -2.43173497      -0.91804893
O        1.82017000       0.98359000      26.49883000      -1.55404134      -0.22320414       0.19156802
O        4.41374000       0.91593000      26.50300000      -0.06277625       0.34219259       0.68173471
O        2.63128000       0.01085000       7.32862000       1.43994126      -0.63744829       0.67921880
O        4.32123000       2.71116000       7.33945000       0.00349027      -0.61893435       1.44982720
O        1.16043000       2.67360000       7.38724000      -0.53991566      -0.24017457      -0.19858120
Zn       0.05303000       0.07006000      27.24504000       0.78065167       0.64829259       0.75838944
Zn       2.64336000       1.83386000       8.18985000       1.08502687      -0.44762153      -1.37269884
Zn       0.11782000       3.21462000      17.45554000       0.29270683       1.75742489       1.34812050
Zn      -2.60952000       5.09903000      23.69176000      -1.88066062       0.86942583      -1.42604510
Zn       2.68615000       1.83847000       4.65646000       0.30605639      -0.63229003       0.14129234
Zn       0.03879000       3.37477000      13.96044000      -0.58819014       0.16858989      -0.27588290
Zn       5.65791000       0.02557000      12.95363000       0.80892624       0.41294655       0.91895493
Zn       3.13558000       1.55092000      22.86765000       0.38659091       0.13633527      -0.51661650
Zn      -0.28883000       3.22505000       3.98323000       0.25326552       0.57705773      -0.55870766
Zn       5.65325000       0.21081000       9.22397000       1.59937092       0.42624613       0.24107196
Zn       3.48617000       1.63851000      18.73871000      -1.69661321       0.00796412       0.24127112
Zn       0.01410000       3.50986000      28.33855000       0.13113810      -2.13817744       0.96326704
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.79524983 magmom=72.0010842 free_energy=-552.79531351 stress="-0.03746479256452274 0.004257497170688961 -0.0008961811958553327 0.004257497170688961 -0.037595387916672815 0.0002302250670814432 -0.0008961811958553327 0.0002302250670814432 -0.04262028929488671" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40525000       0.64566000      15.79511000      -0.27928933       1.62725054      -0.20955700
Cr       4.38989000       0.77321000      15.79688000       0.34833093      -1.55842376      -1.50132188
Cr       2.96955000       3.27784000      15.83406000      -0.66185581       0.57905391      -1.67139660
Cr      -1.43158000       2.61029000      25.56885000       3.54222163       0.04931253      -3.10244944
Cr       1.76389000       2.48846000      25.29580000      -2.94420307      -0.28376581       0.29359287
Cr       0.17262000       5.06898000      25.39555000       2.23299016       2.01650981       2.41704307
Cr       1.22034000       4.34352000       6.31254000       0.26451983       0.67333682      -1.77676044
Cr      -1.70013000       4.26034000       6.18418000       0.47477615      -0.75611277       1.67309318
Cr      -0.19352000       1.66389000       6.35291000      -0.70257470       2.09656526      -0.60758232
Cr      -2.87807000       5.03739000      18.14817000       1.93417214       0.29502868       1.68619507
Cr       3.09249000       1.74083000      27.84417000      -1.88549960      -1.09714024      -0.94070098
Cr      -0.18444000       3.49953000       8.64647000      -0.22937797       0.48446144       0.11364497
Cr       5.65714000       0.05261000       3.84468000       0.14683177      -0.10585677       0.83695003
Cr       2.88769000       1.67114000      13.43600000      -0.35365319      -0.65948567       0.06241604
Cr       0.18475000       3.51923000      23.04296000       0.68780945      -2.23488393      -0.94515371
Cr       0.42450000       1.63600000      20.65935000      -1.10348908      -1.21145619       0.67535442
Cr       1.70629000       4.09469000      20.72153000       3.96836181       1.09593777      -2.39284429
Cr      -1.11714000       4.18186000      20.50594000      -1.44123228       0.90184582      -0.17446633
Cr       2.93593000       3.36616000       1.62052000       1.28414480      -0.56456124      -0.11372453
Cr       1.39414000       0.83138000       1.61080000       1.72062913       0.90109036       0.10058533
Cr       4.41384000       0.83385000       1.59654000      -1.15648553       0.42302044      -0.71719630
Cr       2.84468000       0.17537000      10.92745000      -1.04469840       0.59755972       1.10028489
Cr      -1.59378000       2.83970000      11.10713000      -0.03724072      -1.36211469      -0.39991776
Cr       1.30134000       2.61835000      11.10965000       1.49280114       1.61220498       1.00722868
O        1.75452000       0.92595000      19.27965000      -1.46845919      -2.13147148       0.73969284
O        4.94157000       0.68904000      19.65741000      -0.74426001      -0.51683298      -1.51811113
O        3.28494000       3.52195000      19.37190000      -0.40765153      -0.30447882       0.40336241
O        4.39231000       2.46150000       0.40537000      -0.05848563       0.53372071       1.11487284
O        1.74163000       2.52073000       0.47912000      -2.06341687      -0.99917836      -1.53706954
O        2.97854000       0.20062000       0.34569000      -0.36047202      -1.08232210       1.02678880
O        1.10360000       4.33893000       9.85110000       2.12391402      -0.47278076      -0.60740781
O       -1.51585000       4.31246000       9.81100000      -0.52012648       0.89503625       0.36535031
O       -0.04544000       2.04798000       9.97125000      -1.84041729      -1.17608428      -1.13376993
O        1.51835000       0.94260000      12.16672000      -1.19685483       0.66892375       0.18502055
O        4.16041000       1.07140000      12.01628000       1.49756527      -0.13597738       1.12566592
O        2.82288000       3.26948000      12.24779000      -0.41960428       0.82597391       0.25618848
O       -1.04054000       2.68221000      21.70576000      -0.27147924      -0.91019601       1.06062158
O        1.54146000       2.64313000      21.95176000       1.32019479      -1.12212778      -0.03807737
O        0.37428000       4.94710000      21.64519000      -1.87297692       1.25379978       1.76824889
O        1.56169000       4.24649000       2.51883000      -1.51089661       0.64646973       2.31297051
O       -1.76941000       4.28680000       2.84590000       1.23635887       0.44793206       0.32363124
O       -0.10206000       1.69447000       2.77552000       0.31035359      -0.52709346       0.00238680
O        1.11473000       0.75656000       5.20768000       0.09589698       1.16826757      -0.76438134
O        4.28683000       0.89135000       5.09759000       0.59119554      -0.39639585       1.00637445
O        2.60405000       3.64014000       5.12057000       0.59251596       1.06863081       0.60078217
O        4.34436000       2.30865000      14.63847000      -0.66875302       1.10798026      -0.73898997
O        1.54768000       2.38218000      14.66395000      -0.15983546       0.09864242       0.32398047
O        2.84022000       0.02977000      14.75632000       1.12902456       0.16619864      -1.45261913
O        1.60792000       4.24351000      24.35399000       0.48472092      -0.32396812      -0.78152471
O       -1.00975000       4.23547000      24.32208000      -3.14891231      -0.85634046      -0.54702840
O        0.11652000       1.93023000      24.27259000       0.14706424      -0.71452552      -0.02063297
O       -2.54638000       5.03122000      21.68770000      -0.27554669      -0.28470219       0.06255192
O        2.85033000       1.52458000       2.59923000       0.83487695       1.58480651       1.37703489
O       -0.08419000       3.78463000      12.12306000      -0.19854077      -2.30489478      -1.36367128
O        5.67789000       0.02214000       7.33532000       0.19882800      -0.29401058      -0.55727564
O        3.03284000       1.65352000      16.76549000      -1.13329805      -0.94118532       1.67469196
O        0.21225000       3.37391000      26.39457000      -0.14394828      -0.07800457       0.74409933
O        0.00368000       0.03765000       0.63478000      -0.31928812      -0.93522307      -1.83908670
O        2.83416000       1.92218000      10.06134000      -0.13210721       0.21857385      -0.59045493
O        0.20312000       3.11942000      19.51630000       1.02033340       2.41121778      -0.70388953
O       -0.11065000       1.48162000      16.79796000       1.65016840      -0.23192664       1.33137189
O        1.67974000       4.30716000      16.94511000      -0.82726168      -0.94543860       0.26478799
O       -1.55485000       4.08078000      16.87804000      -0.48030144       1.68370090       0.15727651
O        2.98865000       3.20673000      26.57599000       0.47712980       1.70993103       0.59680288
O        1.73713000       0.82160000      26.50146000       0.25378021       0.68532560      -0.02425027
O        4.47812000       1.01766000      26.56216000      -0.89120691      -0.96290363       0.42722531
O       -0.20183000       4.99808000       7.34768000      -1.26230365       1.18744879       0.56425940
O       -1.53971000       2.73609000       7.44510000      -0.30926831      -1.26605722      -0.53133804
O        1.19684000       2.81049000       7.41387000      -0.59069112      -1.97385774       0.00793769
Zn       0.07446000       0.03166000      27.26759000       0.43525314      -0.08811685      -0.12663966
Zn       2.60783000       1.77676000       8.21142000       1.06187346      -0.10098572      -1.17840035
Zn       0.04364000       3.28189000      17.52604000       0.87934111      -0.06549787       0.64468937
Zn      -2.59541000       5.03382000      23.69022000      -1.32156444       1.26650474      -0.76176952
Zn       2.66560000       1.89597000       4.68378000       0.06262203      -2.35386945      -1.65446014
Zn      -0.04791000       3.39416000      13.92879000       0.21995576      -0.73289212       1.68029241
Zn       2.67137000       5.10049000      12.96475000       0.64616122       0.56711005       0.91306918
Zn       3.05881000       1.48702000      22.87246000       0.49161224       0.93580904      -0.42723179
Zn      -0.31052000       3.33224000       4.06313000       0.07540697       0.08836747      -1.47022849
Zn       5.67322000       0.23162000       9.21180000       0.08857787      -0.58813830       1.41238304
Zn       3.48721000       1.56842000      18.76416000      -0.82915140       0.93933983       0.24753396
Zn      -0.01970000       3.43278000      28.36216000       1.24436515       0.13838950       0.23304569
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.51910857 magmom=71.9966227 free_energy=-551.51914034 stress="-0.041120100851992164 0.008861510657240019 0.006071306866993824 0.008861510657240019 -0.02799395054685347 -0.005998260856659731 0.006071306866993824 -0.005998260856659731 -0.03966505638327687" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41072000       0.71725000      15.75295000      -0.52315624       0.65020862       0.87015338
Cr       4.35520000       0.69904000      15.79611000       1.04179938       0.38363179      -0.47115139
Cr       2.99298000       3.29810000      15.78775000      -2.78863897       0.15728220       0.63989013
Cr      -1.28203000       2.68646000      25.54380000      -1.27361926      -1.73573993      -2.33378342
Cr       1.69156000       2.38311000      25.27208000      -0.66129117       0.63860840       0.92822041
Cr       3.26385000       0.05629000      25.45888000      -1.22148422      -2.15828360      -1.62827547
Cr       1.18514000       4.45316000       6.25982000       0.98561250      -2.08328746       1.91622828
Cr      -1.61501000       4.12998000       6.17246000      -1.67451240       2.94583164       2.04070523
Cr      -0.16348000       1.82004000       6.26551000      -1.11604861      -1.62232748       0.13078807
Cr       3.02369000       4.93352000      18.22872000       0.81333472       0.56343596      -1.38868372
Cr       3.07588000       1.68781000      27.84790000      -3.00647662      -0.11131951      -1.03874382
Cr      -0.29848000       3.50945000       8.70828000       1.14470963      -0.71686877      -1.07490565
Cr       5.69726000       0.05918000       3.85054000      -0.76841429       1.46072106       0.27143254
Cr       2.81465000       1.68352000      13.40390000       0.81070713      -0.61340763      -0.12082158
Cr       0.19681000       3.55248000      22.92472000       0.56171289      -2.90569436       1.58251919
Cr       0.36730000       1.56080000      20.63162000      -0.23857367       1.92511999       1.31805518
Cr       1.89384000       4.17819000      20.77210000      -1.72176712      -1.19860323      -0.99622278
Cr      -1.07315000       4.21606000      20.45151000      -0.18284765      -1.56749872       2.82267233
Cr       2.87819000       3.30201000       1.48856000      -0.38417217       3.25289962       1.59484292
Cr       1.44038000       0.81902000       1.59130000       0.95434681       1.32060195       0.79109121
Cr       4.49582000       0.91368000       1.46044000      -0.14673713      -1.35129948       3.10750930
Cr       2.82171000       0.16380000      10.92911000       1.17406322       1.60815810       1.74187735
Cr      -1.51604000       2.76940000      11.14931000      -3.07549519      -0.37107392       0.20199905
Cr       1.28884000       2.70556000      11.08594000       2.83229114      -2.81958890      -1.63137332
O        1.69775000       0.64593000      19.48353000      -0.61231475       1.71033700      -2.17536662
O        4.90038000       0.65246000      19.50330000      -0.21042444       0.34698692       1.27220571
O        3.23212000       3.47174000      19.51623000       0.67517309      -0.83229159      -0.87128139
O        4.37601000       2.49892000       0.42820000      -1.34178106       0.54168123      -0.47831224
O        1.45834000       2.55606000       0.32354000       4.24205560      -2.73032038       1.23348502
O        2.94551000       0.13586000       0.60188000       0.08913398      -0.23968812      -2.35514793
O        1.20949000       4.19259000       9.86118000      -0.43202552       1.44767468      -0.63921484
O       -1.54257000       4.41825000       9.95477000      -0.04347517      -0.38996497      -0.38838105
O       -0.31707000       1.96993000       9.90516000       1.45179332       0.53853922       0.44414470
O        1.51582000       0.87791000      12.26508000      -1.04224869       0.38794262      -1.37275144
O        4.25916000       1.09952000      12.20286000      -0.29109249      -0.39925005      -1.01551649
O        2.67800000       3.31665000      12.25499000       1.39948863       0.20455251       0.26469982
O       -1.12954000       2.74109000      21.68890000       1.49074580      -1.31559802       0.28918451
O        1.67106000       2.51140000      21.92992000      -1.07960284       0.84536088      -1.09716256
O        3.37397000       0.00439000      21.79274000      -0.19398126      -1.67402240      -1.28990732
O        1.48791000       4.33876000       2.63404000       0.39479429       0.02075932      -0.02183456
O       -1.75065000       4.42063000       2.86994000       1.18027522      -1.29874214      -1.00850606
O        0.06748000       1.74133000       2.65376000      -1.27717974      -0.82658017       0.68258560
O        1.06632000       0.90947000       5.12173000       1.25364733      -1.00559699       0.25558369
O        4.30390000       0.86012000       5.24532000      -0.45762314       1.77014516      -1.91858793
O        2.68682000       3.74074000       5.20679000      -0.21584593      -1.83755909      -0.83794647
O        4.13831000       2.44681000      14.60448000       2.42528907      -0.70504240      -0.31097590
O        1.60318000       2.31034000      14.67575000      -2.00198659       1.67285820       0.45645348
O        2.87361000       0.02396000      14.69152000       0.36511246       0.41397762      -0.82011243
O        1.74425000       4.08974000      24.43307000      -1.43959094       1.36881093      -1.41061754
O       -1.13031000       4.13130000      24.19660000       0.92195497       0.89003990       1.27309974
O        0.08381000       1.89269000      24.24190000       0.13361720      -0.46134142      -0.38458236
O       -2.60711000       4.92586000      21.69588000       1.41379331       1.88905511       0.07026817
O        3.03859000       1.77529000       2.58705000      -0.83525582      -0.90978333       0.62516062
O        0.05328000       3.59783000      11.99686000      -3.14304195       1.18913471       2.50459781
O        5.65804000       0.11770000       7.25365000       0.68690227      -0.65971938       0.68366828
O        3.06154000       1.55644000      16.93509000      -1.19120249       0.56248095      -1.16092261
O        0.19819000       3.33837000      26.40158000       1.08752618       1.14633774       1.19897496
O        0.05856000       0.00500000       0.46932000      -0.36965531      -0.49912529       1.77556882
O        2.85536000       2.08290000      10.05191000      -0.18003565      -2.07900977      -0.23159706
O        0.46785000       3.35012000      19.56991000      -0.71164039      -0.59477722      -0.18787637
O       -0.07698000       1.41465000      16.91230000       0.33727725       0.14698830       0.28737626
O        1.49800000       4.21392000      16.88915000       1.97599795       0.27356303       0.22211885
O       -1.67358000       4.24788000      16.85440000       1.46197817      -0.71592499       0.93013585
O        2.96901000       3.20586000      26.55778000       1.22738512       0.06547491       0.39806478
O        1.71327000       0.80639000      26.44637000       0.75260396       0.02984311       0.66043026
O        4.38826000       0.97944000      26.65035000       1.56539070       0.30636775       0.16166220
O       -0.26271000       4.99838000       7.44833000      -0.45990113       0.26816756      -0.61347414
O        4.39236000       2.56734000       7.46494000      -1.15879621       1.11157695      -0.56089285
O        1.05444000       2.66731000       7.40327000       1.17069099       1.15312732       0.67769987
Zn      -2.82803000       5.09995000      27.27678000       0.08722317      -0.25315438      -2.24013332
Zn       2.63260000       1.71245000       8.16430000       0.30194063       0.68464063      -0.46984037
Zn       0.00789000       3.35371000      17.63280000      -0.50086230      -0.89533244       0.08283846
Zn      -2.66558000       5.04211000      23.64825000      -0.87924596       1.06635774      -0.02956321
Zn       2.65341000       1.84508000       4.63464000       0.61694974      -0.07555281      -1.16096998
Zn      -0.12738000       3.37894000      13.96586000       0.48435796      -0.83934945       0.46278672
Zn       2.67432000       5.09684000      13.03154000       0.91910053       0.38258898       1.04196077
Zn       3.00940000       1.47349000      22.87703000       0.66019762       1.51649950       1.10186382
Zn      -0.32363000       3.44896000       4.07905000       0.63860689      -0.13742810      -2.49448517
Zn       5.70611000       0.22038000       9.25572000      -0.33438967      -1.20214062      -0.48906356
Zn       3.42661000       1.54615000      18.80378000      -1.57440581       0.78368371       0.61824613
Zn      -0.00739000       3.36418000      28.39478000      -0.96874087       2.19023498      -0.91386459
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.79078384 magmom=72.0033994 free_energy=-551.79078384 stress="-0.028742067954409638 -0.0018962090636942593 -0.0003532038557131341 -0.0018962090636942593 -0.03970323430898487 0.0037063909514763035 -0.0003532038557131341 0.0037063909514763035 -0.0391252815177766" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36931000       0.83431000      15.79038000       0.80138922      -0.86091024       0.36000597
Cr       4.39032000       0.62753000      15.77391000       0.12758820       2.48138584       0.08853779
Cr       2.86937000       3.33499000      15.78020000       1.63210659      -0.94883537      -0.39989581
Cr      -1.17045000       2.66220000      25.41238000      -2.20223052      -1.32107038       1.76749958
Cr       1.57759000       2.32556000      25.31644000       2.44747531       2.82630623       0.49797033
Cr       3.34916000       0.05987000      25.48012000      -1.10719696      -1.47484888      -1.62738608
Cr       1.21342000       4.46827000       6.29242000       0.97370985      -0.98973704       0.28561433
Cr      -1.63107000       4.16159000       6.27637000      -2.90672566       3.07288505      -1.64725970
Cr      -0.18857000       1.90639000       6.18871000       0.50030444      -2.07450037       0.59639338
Cr       3.07736000       4.85675000      18.25407000      -0.24618967       1.34626448      -0.86142385
Cr       2.93694000       1.61984000      27.84035000       4.10173479      -0.59892582      -2.97921452
Cr      -0.35386000       3.48480000       8.70393000       1.12201708       0.23961278       0.17122945
Cr       5.72092000       0.13272000       3.87537000       1.41700984      -0.97023113       0.69377323
Cr       2.77498000       1.66882000      13.36370000       0.05732016       1.51183865       1.43255449
Cr       0.24741000       3.39845000      22.89045000       1.05427792       0.35126798       2.67348312
Cr       0.29802000       1.58487000      20.65548000       0.86949664       1.97482306      -2.05008359
Cr       2.02788000       4.20539000      20.72270000      -3.12709205      -0.92735490       0.23228603
Cr      -1.04889000       4.16441000      20.52913000       0.28641642       0.76655118       1.05090588
Cr       2.80542000       3.38817000       1.42611000       0.89437365       1.42608260       3.77304956
Cr       1.57060000       0.87195000       1.62094000      -0.76298588      -2.64808670       1.69035922
Cr       4.51334000       0.93315000       1.44422000      -1.30898067      -0.41538224       1.94687090
Cr       2.84058000       0.23269000      11.04282000       0.09655690      -3.57253351       0.37505871
Cr       4.28254000       2.66237000      11.19360000      -0.06924163       1.87039799      -1.29633152
Cr       1.40600000       2.69551000      11.00653000      -3.08140017       0.04845377       0.87387682
O        1.45427000       0.60284000      19.36931000       1.96079104       0.41882046       0.11520421
O        4.84277000       0.65199000      19.53824000      -0.06549604       0.32166820      -0.02928636
O        3.32643000       3.30086000      19.55766000       0.37728890       1.31025574      -0.34715575
O        4.18051000       2.61170000       0.39009000       1.74159964      -1.09297732      -0.79248253
O        1.70429000       2.18549000       0.34195000      -4.33270002       4.14404172       0.36667368
O        2.94358000       0.01992000       0.48085000       0.85163873       1.26690863      -0.35410853
O        1.22904000       4.23091000       9.80146000      -1.06746753       0.57878589       0.50766287
O       -1.50865000       4.43680000      10.05643000      -0.50609724      -0.87147170      -1.06851781
O       -0.34642000       2.01408000       9.92033000       1.72129688      -0.89439715      -0.05151314
O        1.38616000       0.97435000      12.12654000       0.34346310       0.58984014       0.46794539
O        4.26210000       1.07127000      12.22586000      -0.72289704      -1.20316405      -0.02433518
O        2.75087000       3.32999000      12.28115000      -0.07390199       0.23520884      -0.11801419
O       -0.91618000       2.58709000      21.74110000      -2.46802674      -0.46409250      -0.64352064
O        1.61175000       2.54522000      21.69294000       1.66062499      -0.18543902       1.80028893
O        0.37566000       4.94215000      21.76660000       0.17997233       0.89550330      -0.13138881
O        1.52595000       4.49904000       2.75005000      -1.30219603      -1.49700239      -1.61881451
O       -1.60083000       4.40363000       2.69899000      -0.65641392      -0.72699770       1.21754319
O        0.01161000       1.54675000       2.61541000       0.28224866       2.09211942       0.21011242
O        1.15368000       0.87465000       5.11204000      -0.05209367      -0.30287675       0.94729617
O        4.32041000       1.01235000       5.13718000       0.59660901      -1.22913323       0.02277864
O        2.75191000       3.64095000       5.16876000      -0.94010541       0.26226223       0.04398814
O        4.19255000       2.45740000      14.58782000      -1.24406950      -1.27639834       1.09660716
O        1.37364000       2.48937000      14.77562000       1.33479712      -0.49083654      -0.66723203
O        2.99652000       0.15713000      14.48950000      -1.14064960      -1.14964335       1.31813155
O        1.57325000       4.10945000      24.27136000       0.48342312      -0.08211226      -0.12316265
O       -1.08827000       4.16812000      24.30048000       0.15252079       1.22761515      -1.04874260
O        0.11120000       1.82005000      24.17685000       0.13447127      -0.02303786       0.19062095
O        0.50308000       0.02833000      21.65689000      -0.14099385      -1.65298697       1.31199238
O        3.07782000       1.90851000       2.60547000      -0.85466856      -1.74096083      -0.48872556
O       -0.21847000       3.47424000      12.12838000       1.95742598       1.12268663      -0.56563567
O        5.73207000       0.12151000       7.22911000      -0.29440356      -0.03199304       0.56789023
O        2.86030000       1.55416000      16.86576000       1.07679847       0.47763035      -0.36782726
O        0.30524000       3.47815000      26.50433000      -0.13487084      -1.00065082      -0.91463897
O        2.97351000       5.01933000       0.56637000       0.35542436       2.04470768      -2.09832094
O        2.83892000       1.85089000      10.04578000       0.11303403       0.31986964      -1.09587567
O        0.55639000       3.53222000      19.62713000      -1.50020555      -1.76123511      -1.24596219
O        0.05681000       1.36807000      17.09230000      -1.47462559       0.58930047      -0.63356102
O        1.65779000       4.18434000      16.89268000      -1.10078046       0.43319749       1.55766623
O       -1.51327000       4.31815000      16.93882000      -0.48733124      -1.44753986      -1.05376827
O        3.15623000       3.20388000      26.55571000      -0.52084052      -0.64761143      -0.89841764
O        1.85132000       0.81980000      26.45510000      -1.22800790      -0.61277743       0.34952224
O        4.51397000       0.96169000      26.70964000       0.40302056       0.69220781      -0.96024947
O       -0.41315000       4.99584000       7.44058000       1.94016264       0.37255045       0.02699701
O        4.28161000       2.61899000       7.35375000       0.00079470      -0.25082759       1.04938221
O        1.02892000       2.70407000       7.47175000       0.68123495       0.83301839      -0.48978800
Zn      -2.76880000       5.04123000      27.19015000       0.09600014      -0.25687649       0.29815969
Zn       2.68008000       1.67990000       8.08095000      -0.37564228       0.92166938      -0.13118920
Zn      -0.04417000       3.38638000      17.75050000       1.04700197      -0.70492941      -0.39882850
Zn      -2.78837000       5.10534000      23.60048000       0.45192121      -0.95442644       0.11692264
Zn       2.67505000       1.77588000       4.51472000       0.27565537       0.77114626      -0.68266704
Zn      -0.18341000       3.32297000      14.03597000       0.64383216       0.96034698      -0.26987072
Zn       5.67922000       0.00708000      13.16623000       0.54437501       0.16393426       0.43047255
Zn       2.98849000       1.53421000      22.93433000       0.32696444       0.07110169      -0.44714386
Zn      -0.30574000       3.57047000       3.98746000       0.37504568       0.06466780      -1.45845489
Zn       5.72745000       0.14950000       9.28178000       0.19466019       0.14457073      -0.32422999
Zn       3.27689000       1.56284000      18.86944000      -1.20676106      -1.19028664      -0.59204438
Zn      -0.00603000       3.38239000      28.40350000       0.01741488      -0.69640653       0.47374177
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.33416183 magmom=72.0000622 free_energy=-551.33416183 stress="-0.034548944674002824 -0.00717037975767222 -0.00413885643686956 -0.00717037975767222 -0.03894817176201302 0.00553146333241015 -0.00413885643686956 0.00553146333241015 -0.04183247846079169" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34871000       0.89708000      15.87448000       0.60584318      -1.93110160      -1.42591876
Cr       4.43025000       0.68113000      15.77626000      -1.11869011       0.69871811       0.73456211
Cr       2.81213000       3.34503000      15.80315000       2.16144973       0.48554835       0.23732573
Cr      -1.19468000       2.56053000      25.34803000      -0.08355526       0.87909874      -0.38946872
Cr       1.61513000       2.41428000      25.41024000       2.31622432       0.35242577      -0.90385798
Cr       0.40219000       5.10656000      25.43683000      -1.21126994       0.68096213      -1.43836014
Cr       1.29192000       4.41063000       6.35515000      -0.68641598       0.20122423      -1.82637278
Cr      -1.79720000       4.35751000       6.32307000       1.97639016      -2.04862395      -0.47870392
Cr      -0.19947000       1.88157000       6.15605000       0.28162505       1.15887124       1.74323753
Cr      -2.77368000       4.84806000      18.26151000      -0.05536454       1.95123505      -1.38868841
Cr       2.98249000       1.55202000      27.74262000       1.27052557       3.14930911       0.22742819
Cr      -0.33010000       3.46584000       8.70182000       1.10885615       0.47367336      -0.16942032
Cr       5.80172000       0.15135000       3.90732000      -0.47614109      -1.95507741      -0.93170821
Cr       2.74434000       1.72646000      13.41061000      -0.28985598      -0.01935578       0.51313933
Cr       0.32738000       3.24245000      22.97483000      -1.57494167       1.84107277      -1.65276686
Cr       0.29572000       1.69559000      20.58747000       1.46918529      -2.03976695      -0.56616672
Cr       1.97211000       4.17341000      20.60799000      -1.13489885       0.22448830       1.55069866
Cr      -1.01839000       4.10863000      20.68504000      -1.63209944       1.43522814      -0.34910493
Cr       2.79826000       3.55446000       1.52147000       0.88790897      -2.05859971      -1.14060756
Cr       1.64596000       0.81008000       1.69114000      -4.51458079      -0.29654445      -3.82475117
Cr       4.44466000       0.93574000       1.50346000       1.01442853       0.84339032      -0.82397970
Cr       2.83798000       0.10700000      11.16753000      -2.60261922      -1.35694624      -2.14740266
Cr       4.18843000       2.64389000      11.16840000       2.46525231      -0.29984133      -1.68057019
Cr       1.38406000       2.68185000      10.95636000      -1.10706100       0.86481887       0.48180596
O        1.49224000       0.77553000      19.20070000      -0.69357027      -1.41651323       2.05687941
O        4.80356000       0.71017000      19.59011000       0.25219578      -0.39046620      -0.95979880
O        3.49482000       3.35119000      19.53032000      -1.37628013       0.30725137      -0.52709107
O        4.20644000       2.57844000       0.28946000      -0.35008922      -0.05919464       0.96017896
O        1.44939000       2.37893000       0.39864000       2.74968367      -0.28075662       0.15829084
O        3.07961000       0.13058000       0.29633000      -0.76665956      -0.81404104       1.70561357
O        1.02720000       4.35842000       9.85578000       1.87770383      -0.59673135      -0.22449613
O       -1.51764000       4.26208000       9.98874000      -1.23986737       0.03305744      -0.00005594
O       -0.07948000       1.98194000       9.94186000      -1.42843194      -0.85411838      -0.60090849
O        1.37758000       1.16789000      12.05980000      -0.06885883      -1.83939929       2.04445686
O        4.09377000       0.94267000      12.21844000       1.82383089       0.99826947       1.18307071
O        2.81096000       3.33259000      12.25965000      -0.80520675       1.03578668       0.36192415
O       -0.99893000       2.42974000      21.74768000      -0.62409927       0.95255278       0.92679547
O        1.73453000       2.59203000      21.71325000       0.42487972      -1.01371472       0.76802185
O        0.38864000       4.78404000      21.71397000       1.12068902       1.23179700       1.20455313
O        1.47723000       4.46360000       2.63481000       0.01711021      -0.37190062       0.84599349
O       -1.63689000       4.30492000       2.68401000      -0.67162205       0.24771622       0.55461464
O       -0.01724000       1.59200000       2.64010000       1.01375839       0.82802755       0.62612817
O        1.20394000       0.79121000       5.25593000       0.46387559       1.95598751      -1.64233156
O        4.46871000       0.95694000       5.01044000      -1.38991183      -0.25448258       0.72517207
O        2.65991000       3.60773000       5.13649000       0.34596553       0.24731661      -0.11543028
O        4.09310000       2.25350000      14.72826000       1.54593117       2.13013098      -1.28025589
O        1.41862000       2.56585000      14.78255000      -0.46870817      -0.89981928      -0.73976919
O        2.92462000       0.15903000      14.54945000      -1.12100776      -1.20279574       0.89324734
O        1.47601000       4.14634000      24.12707000       2.69782843      -0.10483225       1.82543801
O       -0.97475000       4.32149000      24.27620000      -1.06051810      -1.28210631      -0.50437741
O        0.19930000       1.80625000      24.21487000       0.21733520      -0.68504494       0.79162974
O        0.65870000       0.08213000      21.73439000      -1.86019690      -0.92054709      -0.90137432
O        2.95947000       1.73485000       2.49647000       1.32826804       1.72876301       1.39926670
O       -0.25930000       3.53383000      12.14539000       0.78831707      -0.74451076       0.18421178
O        5.73514000       0.12976000       7.29835000      -1.09351626       1.07245794       0.83944647
O        2.85684000       1.64582000      16.66537000       1.08912156      -0.38083106       3.03591894
O        0.39427000       3.47946000      26.41897000      -1.16043610      -0.95520792       0.73743545
O        0.02506000       0.10032000       0.48834000       0.30079281      -0.75278701      -0.16928072
O        2.81167000       1.63876000       9.93699000       0.01200709       1.86567977       0.51456933
O        0.38094000       3.39685000      19.57910000       1.14596562      -0.36526463       1.29068667
O       -0.04394000       1.38921000      17.09327000      -0.47443200       0.42958048      -0.47970005
O        1.68227000       4.27367000      17.07138000      -1.02731935      -0.68042475      -0.18705287
O       -1.47161000       4.16919000      16.80935000      -1.26478768       0.63626969       0.28803116
O        3.24886000       3.06270000      26.40621000      -2.13384777       1.46662770       0.69755708
O        1.80846000       0.74952000      26.47038000       0.32611109       0.47985508      -0.66188849
O        4.70670000       1.05819000      26.55217000      -1.28669720      -1.39661615      -0.07076564
O       -0.25140000       4.98253000       7.37356000      -0.58602896       0.74380799       0.17887910
O        4.23905000       2.72768000       7.34974000       0.82391516      -0.62407664      -0.06974644
O        1.10924000       2.90503000       7.44305000       0.07504243      -2.32634121      -0.20581027
Zn      -2.70302000       4.96262000      27.09332000      -0.61462769      -0.50930361       0.87081429
Zn       2.70975000       1.69579000       7.98871000      -0.38950482       0.57085936       0.36490087
Zn      -0.05506000       3.37747000      17.84337000       0.13564670      -0.56637741      -2.86342935
Zn       0.05544000       0.01682000      23.55949000       1.21343337      -0.84603975      -0.10194685
Zn       2.71656000       1.74111000       4.36649000       0.31595444       0.53352473       1.41616145
Zn      -0.22229000       3.30168000      14.09973000      -0.46618764       0.69220010      -0.24753100
Zn       5.76859000       0.03866000      13.34039000      -0.02943954       0.06539376      -0.51326405
Zn       2.98799000       1.61107000      22.99332000       0.67501922      -0.31962512      -0.70637646
Zn      -0.25842000       3.69059000       3.83399000       1.19108795      -1.12887220       0.37693845
Zn       5.75308000       0.07432000       9.29049000      -0.40987729       0.28480750       0.73802146
Zn       3.06203000       1.53314000      18.91663000       2.45965984       0.82838804      -0.79278262
Zn      -0.00089000       3.37424000      28.42666000      -0.63959474      -0.01757332      -0.34973221
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.53721598 magmom=71.9994154 free_energy=-552.53721598 stress="-0.035189705309673185 -0.005005755836079668 0.0010814274890210657 -0.005005755836079668 -0.0319426572923314 -0.002023433177037157 0.0010814274890210657 -0.002023433177037157 -0.03253943256516155" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36127000       0.84297000      15.91620000       0.47906801       0.12758014      -1.07760709
Cr       4.39639000       0.77595000      15.82425000      -1.97683058      -1.14715233      -0.07081094
Cr       2.87004000       3.36655000      15.86337000      -1.67338974      -0.89403806      -0.94426619
Cr      -1.25153000       2.50316000      25.28557000       0.92144881       1.11377030      -0.49303029
Cr       1.77702000       2.50265000      25.46866000      -3.28457770      -1.49640019      -3.15699546
Cr       0.31853000       5.08838000      25.35573000      -0.38360619      -1.22625356      -1.52206979
Cr       1.31429000       4.35670000       6.31968000      -1.49669282       0.91574544      -1.22204614
Cr      -1.85434000       4.45715000       6.32945000       2.93979895      -0.96434975       0.19954970
Cr      -0.19907000       1.91073000       6.21286000      -0.14245252      -0.08065558      -0.59271646
Cr      -2.76060000       4.93478000      18.22472000      -2.05008372       1.04231937      -1.35720514
Cr       3.12348000       1.61901000      27.63455000      -0.47771902       0.22305389       2.46475904
Cr      -0.23496000       3.47539000       8.68553000       0.55682226      -0.04662841      -1.00213045
Cr       5.84023000       0.07616000       3.89128000      -1.80152734       1.44834796       0.81666452
Cr       2.71786000       1.78169000      13.48010000       1.42164686      -1.00809094      -1.32009814
Cr       0.34573000       3.20853000      23.00557000       0.26667117       1.22654051       0.30124409
Cr       0.35783000       1.65486000      20.51214000      -1.99723057      -1.98361430       4.31638257
Cr       1.86861000       4.16800000      20.52685000       0.86962219      -0.04118316       2.74628540
Cr      -1.07647000       4.13604000      20.81665000      -0.26461644       0.40016974      -1.73294508
Cr       2.84257000       3.57717000       1.55321000      -0.10262314      -2.44634464      -1.56398136
Cr       1.50271000       0.75701000       1.57159000       0.34360057       3.25129555      -0.77234368
Cr       4.42160000       0.98799000       1.51116000       1.76115831      -0.42645337       0.74439594
Cr      -0.22928000       5.04769000      11.18204000      -0.10449588       4.06668323      -0.52413409
Cr       4.22549000       2.61744000      11.07522000      -0.41186055      -2.60267631       1.28238423
Cr       1.29439000       2.68653000      10.96435000       1.46850221      -1.14000623       2.07471797
O        1.42516000       0.65669000      19.41332000       3.08660359      -0.60083235      -0.63882196
O        4.82715000       0.70667000      19.48040000      -0.62058929       0.22359206      -0.03161024
O        3.43770000       3.48421000      19.43973000      -0.73900101      -1.44935768       0.29512431
O        4.20785000       2.53741000       0.37218000       0.80661647       1.07403770      -0.59288698
O        1.65010000       2.58584000       0.47664000      -0.66919298      -1.55429081      -1.88431878
O        3.06985000       0.17693000       0.38215000      -1.02222327      -0.59493114      -0.73214974
O        1.07261000       4.34247000       9.90987000       0.31268360      -0.58691973      -0.33918751
O       -1.65194000       4.07483000       9.90008000       1.29196170       1.56508032      -0.14440713
O       -0.05866000       1.87341000       9.87280000      -1.32964399       0.71522572      -0.00912247
O        1.40962000       1.09361000      12.29139000      -0.90468507      -1.23160310      -0.64216968
O        4.09144000       0.96300000      12.32285000       0.08297729      -0.19442527      -0.62369081
O        2.76999000       3.41163000      12.24195000       0.25092247      -0.32083645       0.24488266
O       -1.12594000       2.51921000      21.83725000       1.35546389      -0.41799300       0.16906395
O        1.84786000       2.52153000      21.84497000      -1.52719325      -0.10533246      -1.36598297
O        0.53495000       4.78718000      21.83117000      -1.14803641       0.63132741       0.01014140
O        1.48309000       4.40879000       2.62973000      -0.06166907       0.92510515       0.53451446
O       -1.79432000       4.31018000       2.75778000       2.42009686       0.30943754      -0.46962113
O        0.11693000       1.70165000       2.74365000      -0.75719739      -0.75531756      -0.82729583
O        1.24123000       0.97458000       5.18409000      -0.67810495      -0.75250111      -0.05789018
O        4.46693000       0.83373000       5.06820000      -1.02600974       0.87210450       0.19097649
O        2.65731000       3.66581000       5.12726000       1.27130016      -0.87320727      -0.04692101
O        4.16242000       2.35973000      14.68717000      -0.76992781      -0.00935140       0.67244541
O        1.48115000       2.45000000      14.73775000      -1.40597710       0.98054330       1.29031245
O        2.69175000       0.02519000      14.80047000       1.41932567       1.14398813      -0.79145598
O        1.70221000       4.07223000      24.31799000      -0.94222068      -0.19032966      -0.10512660
O       -1.00091000       4.21828000      24.16380000      -0.55125396      -0.79235257      -0.03250640
O        0.31294000       1.77341000      24.36729000      -0.49776343      -0.60162797      -1.26067627
O       -2.51328000       5.04389000      21.60456000      -1.47148940       0.59177329       0.76718719
O        2.96980000       1.76989000       2.47946000      -0.43768366       0.12572347      -0.00518313
O       -0.15428000       3.43522000      12.11558000      -0.46421209      -0.84074090       0.76525000
O        5.58177000       0.26291000       7.40277000       0.70872566      -0.62916042      -0.86751714
O        3.00027000       1.67754000      16.90182000      -1.16883569      -0.26803483       0.28424727
O        0.26589000       3.34102000      26.36372000      -0.72267652       0.53026772       1.07065959
O        0.06006000       0.18116000       0.40109000      -0.45834388      -1.01640851       0.16678367
O        2.76516000       1.78377000       9.96931000      -0.07036661      -0.44049922       0.19808909
O        0.36872000       3.27081000      19.69542000      -0.52931605       2.01019799      -1.88927613
O       -0.19827000       1.48869000      16.95366000       1.93027901       0.45238305       1.31408890
O        1.52192000       4.30141000      17.17437000       1.07864478      -0.22369583      -1.24721080
O       -1.64909000       4.18019000      16.74182000       1.69009907       0.92028722       2.73726511
O        3.12851000       3.17311000      26.39954000       2.71139883      -0.07822702       1.59440479
O        1.81545000       0.76337000      26.35553000       0.51473669       0.44910004       1.27691697
O        4.61839000       0.93906000      26.37804000      -0.64995315      -0.61888393       1.50794613
O       -0.16711000       5.04020000       7.35336000      -1.29928034      -0.32309252       0.45521201
O       -1.51319000       2.75899000       7.34293000      -1.26735918       0.29607207       0.17926180
O        1.14997000       2.74830000       7.35498000      -0.10926809       0.04481933       0.75965545
Zn      -2.66970000       4.87106000      27.04494000      -0.42615127       2.30501384       1.11688312
Zn       2.71984000       1.74468000       7.91933000       0.53017633       0.45820340       1.01292163
Zn      -0.05105000       3.33699000      17.80753000      -0.35987748      -0.31116058      -1.29911011
Zn       0.03029000       0.00147000      23.51417000       1.82087051       0.37665981      -0.41508583
Zn       2.77033000       1.73851000       4.29659000       0.54030035       0.44960211       2.09564679
Zn      -0.27274000       3.32068000      14.14610000       1.66581945       0.63577543      -0.89059782
Zn       5.85310000       0.07190000      13.49124000      -0.45900045      -0.07022894      -1.24047921
Zn       3.02814000       1.66443000      23.03274000       1.42908040      -0.57381417      -0.07039500
Zn      -0.15593000       3.74847000       3.70992000       0.74842168      -1.31932276       0.56606676
Zn       5.75597000       0.01962000       9.32688000      -0.82475635       0.41658756       0.27657806
Zn       2.98172000       1.54093000      18.91527000       2.04978321       0.88725003      -0.47815973
Zn      -0.02961000       3.35823000      28.42742000       0.79233878       0.04266164      -0.14767206
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.26916693 magmom=71.9936793 free_energy=-553.26916696 stress="-0.03437318500035374 -0.0005269438643902099 0.003394527793873548 -0.0005269438643902099 -0.03271024113673049 -0.0029249974186116895 0.003394527793873548 -0.0029249974186116895 -0.0349756352342849" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36894000       0.77957000      15.95115000       0.27909174       1.54541997      -0.92710683
Cr       4.28118000       0.81142000      15.90694000       0.50825138       0.06801020      -0.67187654
Cr       2.86524000       3.37925000      15.93904000      -0.54922009      -0.47772790      -0.50549529
Cr      -1.26659000       2.48567000      25.23453000       0.92753642      -1.98145295       1.02722179
Cr       1.82460000       2.46849000      25.45395000      -2.40335703      -0.12666784      -0.44444777
Cr       0.19940000       5.04024000      25.24908000       0.20451730      -1.33687757       0.83030525
Cr       1.24631000       4.35177000       6.21071000       0.08821596      -0.28425849       0.42830429
Cr      -1.72985000       4.46916000       6.34438000      -0.47044737       0.29319033      -1.27988782
Cr      -0.21423000       1.94184000       6.23932000      -0.91199928      -1.45563886      -1.50399121
Cr      -2.87104000       5.06880000      18.13512000      -0.13699701      -0.58730740       3.09629292
Cr       3.21798000       1.69432000      27.59973000      -0.82346659      -2.70840117       4.60174730
Cr      -0.12238000       3.48274000       8.62087000      -1.22997081      -0.33478956       0.98930277
Cr       5.79175000       0.07400000       3.90290000       0.90331286       1.16365937       0.53186381
Cr       2.74956000       1.78054000      13.47642000      -0.46750011      -0.60336732       0.38764004
Cr       0.37597000       3.25594000      23.03248000       1.17795455       0.05206439      -0.01036613
Cr       0.32018000       1.51574000      20.62433000      -0.99393075       2.38443460      -0.39636286
Cr       1.80033000       4.17272000      20.54159000      -2.51503387      -1.56845997      -0.20426841
Cr      -1.16453000       4.17828000      20.84895000       0.37986377      -1.42387154      -1.55595535
Cr       2.89283000       3.47038000       1.50188000       0.35124906       1.29075015       0.09134379
Cr       1.37140000       0.88489000       1.39196000       3.14571676       0.39888367       1.59140254
Cr       4.47138000       1.02176000       1.51845000      -0.98745885      -1.16335601       0.08277561
Cr      -0.33969000       5.09557000      11.16389000       1.74441915      -0.17275478      -0.37488426
Cr       4.24430000       2.47200000      11.04883000      -0.43392461       1.36590109       0.91190952
Cr       1.28455000       2.62797000      11.08601000      -0.01817376      -0.63279924       0.64319665
O        1.62940000       0.41489000      19.56543000      -0.74552817       2.73339429      -1.43372649
O        4.78189000       0.73320000      19.42055000      -0.09434725       0.07877335       0.77581160
O        3.23449000       3.42555000      19.39829000      -0.14646090       0.99652718       0.55039192
O        4.29810000       2.63361000       0.39932000      -0.04569359      -0.97346635      -0.28369769
O        1.83701000       2.43742000       0.24004000      -2.38372000       0.90025610      -0.88607835
O        2.91509000       0.13308000       0.40983000       1.04345141       0.37098570      -0.82987467
O        1.14684000       4.17643000       9.93787000      -0.22692641       0.96129240       0.26746339
O       -1.52028000       4.11960000       9.85515000      -0.31656890       0.91327812       0.74728108
O       -0.27032000       1.92691000       9.82460000       1.32200129      -1.12180759       0.33543767
O        1.37955000       0.82396000      12.41784000      -0.13592239       0.92956337      -0.89419669
O        4.05632000       0.98422000      12.29803000       0.09654761      -1.15926292      -0.12077349
O        2.77456000       3.34128000      12.25886000      -0.17115050      -0.25055962       0.36018914
O       -0.95509000       2.58934000      21.90978000      -1.28499936      -1.84792442      -0.71589220
O        1.65343000       2.43385000      21.74943000       1.22496710      -0.02425904       0.52268487
O        0.45806000       4.85118000      21.92745000      -1.11752875       0.72508817      -0.39801949
O        1.55950000       4.51996000       2.68727000      -0.69495494      -1.16994874      -1.12589098
O       -1.64832000       4.43596000       2.72061000      -0.28983769      -0.14771430      -0.54537081
O        0.09063000       1.62217000       2.68840000      -1.13066800       1.11583493      -0.64890991
O        1.11930000       1.03562000       5.09928000       0.79447019      -0.70948557       0.70002951
O        4.31042000       0.86170000       5.17834000       0.62002398       0.37406074      -0.89077024
O        2.85778000       3.64732000       5.15195000      -1.01799115      -0.12561843      -0.01920345
O        4.05815000       2.47126000      14.74786000       1.05834145      -0.33911546       0.20239042
O        1.38790000       2.43908000      14.86013000       0.48239084       0.56010014      -0.17793919
O        2.74877000       0.11418000      14.86974000       1.17303767      -0.35435391      -1.38179300
O        1.72103000       4.02050000      24.44575000      -0.30514803       1.54317067      -1.97334790
O       -1.09650000       3.96958000      24.07685000      -0.57530114       2.00392411       0.42109032
O        0.32441000       1.70451000      24.31292000       0.11968481       0.06049090      -0.22585334
O       -2.86964000       4.98218000      21.58950000       3.08713623       0.60727854       1.88298820
O        2.96770000       1.85246000       2.45071000      -0.54210826      -1.18188252       0.69447134
O       -0.16570000       3.25010000      12.15225000      -0.92091113       1.59373274       0.48298189
O        5.55217000       0.26142000       7.30304000       0.75183225      -1.07166442       0.41412743
O        2.93269000       1.64895000      17.04510000      -0.85144144       0.28085777      -1.88385319
O        0.03407000       3.29481000      26.41616000       1.64399455       0.40778965      -0.64425890
O       -0.01544000       0.04532000       0.40807000      -0.70566843       0.00314242      -0.64370282
O        2.70291000       1.85946000      10.08210000       0.05346382      -2.10586290      -1.39975818
O        0.28906000       3.39336000      19.62985000      -0.59451905      -1.32164092       0.02700615
O       -0.08882000       1.59332000      16.94420000      -0.29561382      -1.57963345       0.30614552
O        1.56908000       4.30897000      16.99836000      -0.10897585       0.40814677       0.65212558
O       -1.56228000       4.29193000      17.02880000      -0.36886794      -0.76543705      -1.22876285
O        3.35235000       3.16558000      26.50544000      -0.99129952       0.62242356      -1.79032176
O        1.90136000       0.84026000      26.41318000      -0.92319225      -0.68414750       0.41650655
O        4.43951000       0.71660000      26.44166000       1.30877201       0.95903924      -0.40429791
O       -0.27972000       5.01788000       7.40071000       1.75645148       1.15476347       0.32289879
O       -1.52620000       2.84243000       7.35181000      -0.85643484      -0.70593463       0.61057518
O        1.11754000       2.62522000       7.37687000       0.88565456       1.69345627      -0.09351838
Zn      -2.66750000       4.92133000      27.06454000      -0.51459882       1.93513221       0.61469228
Zn       2.75771000       1.81204000       7.90534000       0.68667461      -0.19858732       0.93558366
Zn      -0.06302000       3.29211000      17.70240000       0.56170376       1.02651674       0.78660593
Zn      -2.85345000       5.10740000      23.46060000       0.39930211      -0.55093479       1.08874399
Zn       2.84368000       1.76148000       4.33676000      -0.72458433       0.48995703       0.85018635
Zn      -0.24040000       3.37379000      14.14966000       0.71961812       0.12678882      -0.48299482
Zn       0.00413000       0.09623000      13.58541000      -0.89196741      -0.64695355      -0.74337721
Zn       3.13182000       1.68778000      23.06433000       0.27443314      -0.31340898      -1.38236422
Zn      -0.01965000       3.73085000       3.62968000      -0.28020165      -0.82459587       0.42407059
Zn       2.76965000       5.10250000       9.37157000      -0.03103787       0.46325401      -0.45237488
Zn       3.03768000       1.60286000      18.90642000       0.42234078      -0.48189571       1.26005585
Zn      -0.03092000       3.36084000      28.40950000       2.02922721       0.91249336      -0.29027599
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.64916317 magmom=72.0004278 free_energy=-552.64916317 stress="-0.03608871437103422 0.0015898453809219384 0.0020845724164495314 0.0015898453809219384 -0.03858309171877288 0.0015098489383724254 0.0020845724164495314 0.0015098489383724254 -0.03577056125147024" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34912000       0.76943000      15.98706000       0.99185804       0.29211271      -3.80073615
Cr       4.22402000       0.83958000      15.96867000       1.64558134       0.98521931      -2.04519707
Cr       2.83621000       3.39528000      16.01140000       0.40619397       0.00930873      -2.12164059
Cr      -1.23036000       2.36154000      25.26090000       0.24063733      -0.61044507      -0.40373420
Cr       1.76808000       2.40363000      25.46420000      -0.81254816       1.53400023      -1.36566672
Cr       0.10431000       4.94786000      25.22468000       0.69885189       1.06398965       1.64960386
Cr       1.18627000       4.34423000       6.13338000       1.72804105       0.29506425       1.02787251
Cr      -1.61256000       4.47539000       6.30789000      -0.96863181      -0.48229305       0.04031933
Cr      -0.26607000       1.89274000       6.20316000       0.50329283      -0.24025590       1.35835458
Cr       5.87230000       0.03984000      18.14824000       1.79466504      -2.33385498       4.65869067
Cr       3.23949000       1.63722000      27.72393000      -1.10566637      -0.13783297      -2.54508048
Cr      -0.09454000       3.47788000       8.63506000      -1.43330863       0.28281091       2.07843061
Cr       5.78052000       0.14332000       3.91886000       0.85807115      -0.39819232      -2.11419020
Cr       2.77600000       1.73441000      13.48982000      -0.31651414      -1.24683848       1.44434930
Cr       0.43651000       3.30713000      23.02945000      -2.28459192      -0.62463637      -1.68259702
Cr       0.21785000       1.50716000      20.71610000       0.98348107       1.09825132      -1.95750811
Cr       1.63794000       4.12230000      20.56023000      -0.73248020       0.55580459       1.75742237
Cr      -1.22560000       4.14866000      20.76995000      -0.72066789      -0.42283063      -1.24542979
Cr       2.96786000       3.43487000       1.45298000      -0.19669034       1.81049933       0.60112456
Cr       1.41508000       1.03247000       1.30252000      -0.52431451      -2.34233055       1.45902250
Cr       4.43873000       0.97394000       1.49545000      -1.52791315      -1.83818671      -0.54468559
Cr       2.61669000       0.03394000      11.13465000       2.14693380      -2.42254084       0.19045763
Cr       4.22473000       2.38901000      11.08227000      -0.52106147       2.17859475      -0.22474994
Cr       1.28390000       2.54417000      11.23509000      -1.61659368      -0.20495375      -1.61028487
O        1.69536000       0.56370000      19.48896000      -2.53021299       0.12076821       0.08655028
O        4.71131000       0.75362000      19.52863000      -0.10798264      -0.32551479      -0.26729538
O        3.02717000       3.54121000      19.45888000       1.28261494      -0.43863854      -1.02657989
O        4.35167000       2.57516000       0.39142000       0.14761935       0.12464155      -0.30996361
O        1.57571000       2.38038000      28.49649000       1.57494774       0.45102728       2.30864765
O        2.92573000       0.19725000       0.32116000       0.31837705      -0.62444188       0.59191089
O        1.13833000       4.11074000      10.02602000       0.68480347       0.63062091      -0.24083650
O       -1.41579000       4.28464000       9.91309000      -2.39218494      -1.74083153      -1.16058960
O       -0.26040000       1.87624000       9.86968000       0.84784593      -0.26544769      -0.05082598
O        1.35837000       0.75890000      12.34815000      -0.88165699       1.80128925       0.72405316
O        3.99353000       0.86813000      12.22611000       1.23097582      -0.02418066       0.95940394
O        2.73646000       3.15879000      12.30185000       0.34682111       1.68952085      -0.38376505
O       -0.94433000       2.41872000      21.87022000      -1.98805581       0.89693478       0.84179759
O        1.60727000       2.41505000      21.71336000       1.36911996       1.01028520       0.71928955
O        0.16017000       4.92701000      21.90313000       1.06373264      -0.39494153      -0.40059756
O        1.60491000       4.46333000       2.57728000      -0.29883564      -1.08561940       0.53097680
O       -1.57803000       4.55213000       2.57501000      -0.87707357      -0.68765673       0.53997664
O       -0.09995000       1.66836000       2.52874000       1.62676467       1.16980644       1.50596198
O        1.09632000       0.94273000       5.16621000       1.55888655       0.96592445      -0.50373627
O        4.32769000       0.90662000       5.15587000       0.47013280      -0.25482869      -1.01549107
O        2.87446000       3.66670000       5.17450000      -0.76788519      -0.05671076      -1.09065268
O        4.04313000       2.45439000      14.84587000       1.85491922       0.74444977      -0.87461083
O        1.41412000       2.51248000      14.96027000      -0.31693657      -0.22982020      -1.28017322
O        2.99290000       0.19135000      14.68720000      -1.80845487      -1.19236099       0.70981944
O        1.60151000       4.18075000      24.24811000       0.61112678      -0.81144784       0.74218125
O       -1.20389000       3.98592000      24.11533000       0.60995010       0.07712770       0.12171510
O        0.35134000       1.73493000      24.22336000       0.25930156      -0.19577199       0.53653874
O       -2.76086000       4.98025000      21.67003000      -0.35029916      -1.02801938      -1.05516272
O        2.88309000       1.75501000       2.45241000      -0.15017152       0.49280138       0.33104565
O       -0.31855000       3.34719000      12.18658000       0.71189371      -0.16370764      -0.01400997
O        5.67648000       0.07519000       7.20450000      -0.44264730       0.84051289       1.02290069
O        2.72887000       1.67429000      16.84290000       1.37960586       0.11420293       3.15187377
O        0.10635000       3.31491000      26.31154000       0.90595968      -0.37573474       0.38718809
O        2.78870000       5.04805000       0.40078000       1.23461340       1.08474390      -0.27342255
O        2.66101000       1.60765000      10.02626000       0.29425279       1.47117775      -0.29617075
O        0.11641000       3.29552000      19.61090000       0.59958099      -0.59402216      -0.15127405
O       -0.03719000       1.49590000      16.99419000      -1.42089448       1.25699941      -0.05201483
O        1.55133000       4.38474000      16.96017000      -1.07768241      -0.67852965       2.02399468
O       -1.53812000       4.28841000      17.07246000      -1.50926799      -0.28733916      -0.92246922
O        3.36629000       3.13648000      26.34120000      -1.71292539       0.48839127       1.64792548
O        1.84313000       0.78315000      26.51319000       0.65540334       0.09758253      -0.89090059
O        4.44847000       0.67644000      26.44999000       0.33138640       0.90268509      -0.26106212
O       -0.12683000       5.09486000       7.44051000      -0.02253193      -0.03623356      -0.71405301
O       -1.60621000       2.86211000       7.41133000       1.68360533      -0.16024374      -0.62628026
O        1.14298000       2.82385000       7.30822000       0.27339285      -1.43204715      -0.36652270
Zn      -2.69252000       5.09246000      27.11769000      -0.77289961      -0.86973391      -0.36191153
Zn       2.82066000       1.86563000       7.95098000      -1.05870189      -0.38776647       1.22229241
Zn      -0.04386000       3.28998000      17.63648000       0.75014498       0.63117589       1.00427849
Zn      -2.76042000       5.07907000      23.48308000       0.41786216      -0.24658019       1.59486849
Zn       2.87489000       1.81406000       4.42303000      -1.39705398       0.67590142      -0.24507673
Zn      -0.15774000       3.43784000      14.12747000      -0.14560000      -0.41156765       0.02722542
Zn       0.00897000       0.08873000      13.64420000      -0.49658480      -0.47818673      -0.70054915
Zn       3.25115000       1.68956000      23.04076000      -0.14435760      -0.45086221      -1.27166539
Zn       0.09435000       3.66722000       3.58158000      -1.09045521      -0.44125902      -0.05515467
Zn       2.73188000       5.09726000       9.39203000       0.31058518      -0.18281218      -0.29683820
Zn       3.11831000       1.65016000      18.95002000      -0.26937188       0.60332829      -0.00897664
Zn       0.06448000       3.40942000      28.36912000      -0.61212720       1.41049543      -0.76793067
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.05646885 magmom=71.9965668 free_energy=-552.05646885 stress="-0.03426151482137518 -0.0010972818896347236 -0.0003814654714502248 -0.0010972818896347236 -0.04398365141841421 0.00306109048548663 -0.0003814654714502248 0.00306109048548663 -0.03607861627086851" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33713000       0.77292000      15.90361000       0.16403789       1.41235859      -0.28629548
Cr       4.28237000       0.89629000      15.95275000      -0.46668143      -0.54449163      -0.07210764
Cr       2.81737000       3.43563000      16.00635000      -1.78809061      -1.55570110      -1.85522045
Cr      -1.20153000       2.21595000      25.29881000      -1.00986181       4.34552431      -1.54793099
Cr       1.70366000       2.40913000      25.43052000       2.46429924       0.76272685      -2.32111442
Cr       0.07638000       4.92279000      25.31148000       2.75460858       0.92380006      -1.20491056
Cr       1.23045000       4.35477000       6.11438000       1.75138013       0.29550118      -0.40931941
Cr      -1.56079000       4.45767000       6.26666000      -0.31669662      -0.09460991      -0.47836843
Cr      -0.27285000       1.81802000       6.23395000       2.72802484      -0.29150707      -0.21146014
Cr       2.92656000       5.10564000      18.31856000      -0.73018790       0.54513424      -1.21732630
Cr       3.17515000       1.57964000      27.75010000      -0.49051635       2.24898522      -3.55359338
Cr      -0.14706000       3.48454000       8.76605000       0.87798416      -0.28864997      -1.94407538
Cr      -0.06011000       0.19993000       3.80529000       0.80193760      -0.33643081      -1.09069652
Cr       2.79280000       1.64081000      13.56271000       0.47324089       1.82051648      -1.64644601
Cr       0.36700000       3.32043000      22.93443000      -2.78733561      -0.40747079       1.40519306
Cr       0.15598000       1.55974000      20.70352000      -0.01934225      -1.22699731       1.26843840
Cr       1.45741000       4.09481000      20.63644000       3.12595736       1.64145501      -0.61580263
Cr      -1.32156000       4.08312000      20.60582000      -1.49798548       0.22373565      -0.06560718
Cr       3.03706000       3.50135000       1.42017000      -0.65113406      -1.18296103      -0.05081025
Cr       1.45740000       1.04554000       1.30979000      -2.72956377      -1.96897055       2.24715432
Cr       4.32234000       0.84159000       1.41696000       2.45230574       1.01775970       2.99532744
Cr      -0.22016000       5.05724000      11.10556000      -0.92616691       0.38271401       0.48628422
Cr       4.17698000       2.43231000      11.11868000      -0.21546377       0.70928608      -0.55556288
Cr       1.20341000       2.47786000      11.28777000       0.38656616       1.85869134      -2.53137906
O        1.29519000       0.77781000      19.40961000       3.06392278      -0.68477214       0.06779687
O        4.63037000       0.70087000      19.63034000      -0.68237943       0.15784270      -0.22707210
O        3.00212000       3.61262000      19.42203000       0.23303705      -2.33417550       0.55354963
O        4.40370000       2.51360000       0.34843000      -0.13222344       0.13177466      -0.55285995
O        1.62839000       2.38114000      28.59582000       0.77546385       1.15615000       0.94353527
O        2.96542000       0.11137000       0.33503000      -0.92428496       0.32103554       0.00265788
O        1.17092000       4.13023000      10.09034000      -0.25184776       0.02644634      -0.45963920
O       -1.61686000       4.14910000       9.88021000       1.01278500      -0.74988537       0.95232802
O       -0.11523000       1.83343000       9.94537000      -1.17063547       0.44720595      -0.00735510
O        1.29785000       0.99247000      12.35506000       0.43776327      -2.61128963       1.59014848
O        4.07645000       0.80861000      12.28558000       0.21083858       0.30196091       0.26850626
O        2.72922000       3.15553000      12.29175000       0.39084275       0.61461699       0.69644511
O       -1.21515000       2.39371000      21.86997000       1.52948710       1.25469577      -0.89457233
O        1.72057000       2.60570000      21.79464000      -0.79309758      -1.61596534      -0.38380048
O        0.02357000       4.84986000      21.75709000       1.05176733       0.23396283       0.12818678
O        1.63634000       4.27200000       2.51332000      -0.61159710       1.45736142       0.29953112
O       -1.73123000       4.55788000       2.49927000       1.63072204      -0.23478716       1.03440963
O       -0.08409000       1.81071000       2.55914000       0.13922265      -1.10881456      -0.42539606
O        1.28654000       0.96609000       5.17109000      -1.10201736      -0.22283485      -0.60709858
O        4.48113000       0.88692000       4.97332000      -1.55713436       0.61109516       0.46646139
O        2.74927000       3.74688000       5.02273000       1.29705424      -0.24704434       0.14089822
O        4.28891000       2.50511000      14.78535000      -1.70967205      -0.43865356       0.39670229
O        1.47884000       2.51734000      14.84273000       0.00133673      -0.53384971       0.01268351
O        2.92267000       0.13945000      14.69829000      -0.78595164       0.04027353       2.01180823
O        1.52347000       4.18010000      24.16546000       1.19887639      -0.15249660       0.45891819
O       -1.14880000       4.01411000      24.21684000      -0.16040248      -1.08656601      -0.70640673
O        0.39746000       1.77705000      24.21111000      -1.12257641      -1.44488598      -0.86492335
O       -2.70315000       4.87854000      21.54621000      -1.91050632       1.15841988       2.22815161
O        2.79976000       1.72684000       2.44840000       1.59026297       0.80802435       0.15291711
O       -0.35119000       3.42399000      12.14951000       0.64675900      -0.76546393       0.66720581
O        5.75598000       0.02032000       7.26035000      -0.56121688       0.86039337       0.43163932
O        2.74481000       1.71494000      17.02870000       0.61325564      -0.17135369      -0.84942058
O        0.31404000       3.27028000      26.22580000      -2.61650813       0.02023580       2.90260579
O        5.81441000       0.04168000       0.40367000       0.39608505       0.40049573      -0.36871651
O        2.68988000       1.56214000       9.98310000       0.34187644       0.95159353       0.89218595
O        0.06042000       3.11357000      19.63149000       0.13769242       1.65002788      -1.22350053
O       -0.19899000       1.54137000      17.00981000       1.20856781      -0.53729410       0.14596086
O        1.35573000       4.41456000      17.22647000       2.59195276       1.04128087      -1.93995184
O       -1.75528000       4.25053000      16.91493000       1.90410687       1.00392225       2.01231794
O        3.09947000       3.23295000      26.38261000       1.90118009      -0.90107662       1.06202343
O        1.87065000       0.74128000      26.42706000      -1.17929056       0.64280317       1.40438989
O        4.48286000       0.79461000      26.39739000      -0.60540383      -1.61163528       1.59689643
O        2.98327000       0.01626000       7.34066000      -1.93740463       0.15482249       1.10583111
O       -1.38574000       2.84228000       7.36088000      -1.91106660      -0.40348556       0.85562826
O        1.17090000       2.80622000       7.20340000       0.16596943      -1.17467167       1.90167046
Zn       0.19555000       0.11540000      27.15547000       0.21220227      -1.45049760      -0.71672212
Zn       2.84076000       1.90383000       8.05523000      -0.41691360      -0.04913923      -0.37869377
Zn       0.00529000       3.32009000      17.62706000      -1.64837506      -0.63517126       0.82532193
Zn      -2.64700000       5.03318000      23.58899000      -0.45828480      -0.41644381      -0.65686301
Zn       2.83559000       1.90068000       4.50129000       0.23778526      -0.22941025      -0.72376303
Zn      -0.07762000       3.47574000      14.10302000       0.05552136      -0.98350040      -0.52837269
Zn      -0.01781000       0.05304000      13.67497000      -0.50851440      -0.22092877      -1.48918465
Zn       3.36331000       1.66505000      22.96346000      -1.41383023      -0.60253424       0.38865990
Zn       0.15189000       3.57304000       3.54521000      -1.23243009      -0.42558414       0.44531363
Zn       2.70496000       5.08697000       9.38440000      -0.08327134       0.29752280      -0.83695265
Zn       3.17868000       1.71919000      18.99795000      -1.41864251      -0.12768542      -0.10689130
Zn       0.14176000       3.53180000      28.28754000      -0.42217419      -1.86246576      -0.83950010
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.28479879 magmom=71.9994013 free_energy=-551.28479883 stress="-0.03771488283846515 0.00246896626666842 -0.0013387605100172988 0.00246896626666842 -0.04321501719668584 -0.005311007762521958 -0.0013387605100172988 -0.005311007762521958 -0.04209137561021637" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29633000       0.84047000      15.83950000      -1.15305183       0.30233901       3.22236071
Cr       4.34306000       0.92155000      15.93877000      -1.24280731      -0.23594831       0.20378050
Cr       2.73267000       3.43751000      15.94088000       2.02995960      -0.19859743       0.41346580
Cr      -1.24827000       2.28657000      25.30064000      -0.27714128       0.66974061       0.93125485
Cr       1.76370000       2.46502000      25.30988000      -1.09681715      -0.09534312      -0.22737476
Cr       0.19656000       4.95962000      25.37328000      -0.27375006      -1.23920468      -0.86288163
Cr       1.36933000       4.38244000       6.10118000      -0.86818278       0.01699550       0.65976652
Cr      -1.53128000       4.42772000       6.21317000      -0.60565188      -0.71958325      -0.26931711
Cr      -0.12714000       1.74160000       6.27528000      -0.15559532       1.14869965      -1.06509204
Cr       2.91308000       5.04827000      18.42576000       0.04665932       1.60517512      -3.50395767
Cr       3.07163000       1.65761000      27.64717000       0.12014992      -0.31270337       3.36097198
Cr      -0.16740000       3.46386000       8.79459000       0.16092665      -0.86159183      -3.34996712
Cr       0.03253000       0.23251000       3.63372000      -2.01051664      -1.37391568       3.59936441
Cr       2.84287000       1.62632000      13.55693000       0.53239921       0.56494868      -0.04189384
Cr       0.14190000       3.30178000      22.89590000       1.98099689      -0.41719369       0.61488634
Cr       0.09687000       1.54403000      20.70061000       0.55802076       1.02667358       0.42499452
Cr       1.46644000       4.14767000      20.66636000       1.36691289      -1.55032802      -0.18463319
Cr      -1.51075000       4.05547000      20.43697000       3.29797043       2.61750980       3.50410374
Cr       3.07735000       3.50988000       1.38399000       0.64466089      -0.67788593       0.50054929
Cr       1.40213000       0.96009000       1.44065000       2.67406930       1.70406787       0.37969935
Cr       4.29923000       0.78959000       1.40438000       1.70735994       2.76344477       0.63277582
Cr      -0.13778000       4.98327000      11.13094000      -1.90248101       2.96873784       1.94739746
Cr       4.11625000       2.52088000      11.15702000       1.58024855      -1.54019772       1.93373777
Cr       1.15480000       2.48198000      11.22334000       3.20412867      -0.79580599       0.70874682
O        1.35790000       0.84730000      19.40938000       0.52151477      -1.67510286       0.86273123
O        4.50243000       0.66295000      19.71176000       1.11795975       0.66286352      -1.12074596
O        2.99452000       3.42273000      19.47530000      -2.12643719       2.71567716      -0.03829244
O        4.43610000       2.49082000       0.22473000      -0.30972409      -0.16266740       0.14708276
O        1.89811000       2.52931000       0.31807000      -2.99881780       0.26262758      -2.04734693
O        2.82636000       0.06972000       0.44034000       0.57873615       0.56205847      -1.56022507
O        1.13235000       4.14613000      10.05967000       1.04352716      -0.24760421      -0.62619081
O       -1.65786000       3.89109000       9.95746000       0.05382796       4.10319168      -1.08709752
O       -0.18860000       1.90165000      10.01007000      -0.61239909      -1.61453936      -0.81776216
O        1.35550000       0.92970000      12.53626000      -0.02672762      -0.86876644      -1.66228046
O        4.14388000       0.84833000      12.35813000      -0.02496598      -0.81230899      -0.61667495
O        2.78056000       3.21968000      12.35733000      -0.93315760       0.21049937       0.35476045
O       -1.24054000       2.64197000      21.71928000      -0.81400648      -1.95501545       0.72454657
O        1.59103000       2.57689000      21.81935000      -0.66525856      -1.40480133      -0.52299080
O        0.04518000       4.75277000      21.64315000      -1.33736855       2.11856758       1.56433325
O        1.63399000       4.37269000       2.49796000      -0.19542009      -0.42430675       0.52603193
O       -1.64423000       4.49063000       2.58030000       1.87841356      -0.75105328       0.04709454
O        0.00466000       1.71030000       2.52304000      -0.74992006       1.50982610      -0.58702833
O        1.25619000       0.92021000       5.07037000       0.21408986       0.34370013       0.16812316
O        4.45647000       0.93224000       4.89224000       0.03745288      -0.01121130       1.38873417
O        2.84132000       3.84421000       4.91779000       0.63322597      -0.82162766       1.24676018
O        4.20747000       2.48087000      14.79646000      -0.10972925       0.68234411      -0.39342182
O        1.55203000       2.42564000      14.71656000      -1.51765852       1.29685258       0.96266063
O        2.72488000       0.11901000      15.02356000       2.81742669      -1.41819696      -2.97932149
O        1.59004000       4.07928000      24.20454000      -0.21934266       0.16446920       0.29453323
O       -1.04769000       3.87737000      24.24839000      -1.56658460       1.73706467       0.30186827
O        0.24888000       1.66949000      24.12697000       0.12447910       0.68550495       0.88671285
O        2.95328000       4.95805000      21.71545000       0.91046947       0.08740154      -0.44366317
O        2.97186000       1.84013000       2.40407000      -0.26853479      -0.57908510       1.33183802
O       -0.24128000       3.35354000      12.15441000      -0.43240485       0.36686388       0.93267708
O        5.75026000       0.12394000       7.33626000       0.08819094      -0.91072956      -0.28014594
O        2.91321000       1.74510000      17.03906000      -0.82605858       0.27004353      -0.84557929
O        0.16475000       3.17661000      26.43857000       0.64512278      -0.14056394      -3.37003642
O        0.04939000       0.20267000       0.40859000      -1.37515322      -1.60353661      -0.63248536
O        2.76989000       1.70693000      10.13789000      -1.56932113      -1.48283256      -0.69243893
O        0.04936000       3.20708000      19.55128000      -0.22462341       0.32439219       0.37286819
O       -0.16108000       1.53399000      17.02603000       1.33143989       0.41641091       0.60445116
O        1.55159000       4.53879000      17.15744000      -1.10686742      -2.43013189      -0.47697092
O       -1.71637000       4.33704000      17.03111000      -0.36540209      -0.11352474       0.13814455
O        3.12689000       3.14493000      26.55107000       0.58219416       1.21378686      -2.43742010
O        1.76260000       0.81527000      26.43736000       0.32324741      -0.07700962      -0.91640120
O        4.38215000       0.74556000      26.50976000       0.20183917       0.28122030      -0.72683245
O       -0.12095000       5.07351000       7.32858000       0.82855283      -0.01045679       0.99776665
O       -1.39969000       2.76621000       7.38747000      -0.92321446      -0.15238345       0.00233237
O        1.19564000       2.62078000       7.39148000       0.19008378       1.61158760       0.18288306
Zn       0.13556000       0.17476000      27.15993000       0.56691064      -1.35302284      -0.10049070
Zn       2.83535000       1.93696000       8.15760000       0.23046997      -0.74764612      -0.34297407
Zn      -0.00814000       3.34479000      17.64912000      -0.25615712       0.81515406      -0.69121657
Zn      -2.54872000       4.95625000      23.67230000      -0.77835000      -0.68636734      -0.78476369
Zn       2.80074000       1.98384000       4.54385000       0.66270190      -0.77276927      -1.12092346
Zn       0.00511000       3.46775000      14.06297000      -0.77764340      -0.13989735       0.79812971
Zn       5.82617000       0.00039000      13.64481000      -0.33874290      -0.16575028      -1.20488908
Zn       3.41274000       1.60769000      22.89567000      -1.26259341      -0.18568841      -0.59766984
Zn       0.14627000       3.45167000       3.53676000      -0.62360291       0.42100644       0.11492183
Zn       2.68204000       5.08739000       9.33553000       0.72697580       0.38974367      -0.06343430
Zn       3.16701000       1.76284000      19.03003000      -1.16895911      -3.59162598      -1.70846106
Zn       0.18394000       3.57830000      28.16621000      -0.12217343      -1.31266766       3.01145091
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-549.88504898 magmom=71.998002 free_energy=-549.88504898 stress="-0.04366003807687069 0.011051901513304119 0.0013351622612816996 0.011051901513304119 -0.038820451074204065 -0.005011550209733282 0.0013351622612816996 -0.005011550209733282 -0.04121013442764624" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.23856000       0.89892000      15.93516000       3.53027373      -1.70602895      -1.17063956
Cr       4.35102000       0.92506000      15.94559000       0.23145499      -0.78318765      -0.70616928
Cr       2.75725000       3.42593000      15.89484000       2.24735425       0.74423551      -0.86780118
Cr      -1.33956000       2.41411000      25.34962000       0.31970490      -2.27794376      -1.54429641
Cr       1.80856000       2.48195000      25.19966000      -1.74555392      -2.12140604       0.35814570
Cr       0.31179000       4.94874000      25.38040000      -3.10298726      -0.69905029      -1.31489525
Cr       1.46385000       4.41135000       6.13317000      -2.14503383      -0.65008105       1.44238389
Cr      -1.51008000       4.35995000       6.16754000       1.16960221      -0.07542839       1.86235629
Cr       0.03203000       1.74223000       6.27470000      -2.20704140       1.67495860      -0.09297020
Cr       2.92311000       5.06355000      18.42306000      -0.52200847       1.40434088      -3.51469720
Cr       2.97984000       1.74280000      27.66671000      -0.87885911      -0.09745887       0.12243886
Cr      -0.18454000       3.39187000       8.65010000      -1.43491201       0.94162348       2.33754039
Cr       0.03098000       0.18091000       3.64679000      -0.72578510      -0.64014202       2.76582988
Cr       2.90206000       1.65297000      13.53592000      -2.29472719      -1.26713522       1.39388926
Cr      -0.00099000       3.26354000      22.90536000       1.73103037       0.11751501       0.25444907
Cr       0.05483000       1.54523000      20.68306000      -0.66347883       1.64085737      -1.00606194
Cr       1.54120000       4.16513000      20.67138000      -5.28567528       0.15013243       3.26721269
Cr      -1.56521000       4.19850000      20.41278000       2.80213368      -3.08011006       5.59809960
Cr       3.15269000       3.46340000       1.36983000      -0.87496859       1.19898482       1.32986106
Cr       1.47725000       0.93615000       1.57750000       1.47267533       1.14023975      -1.81284728
Cr       4.36142000       0.90883000       1.38446000       1.27704527      -0.34921801       0.35751599
Cr      -0.14684000       5.06130000      11.26049000      -0.93586943      -1.71170703      -2.12564663
Cr       4.13124000       2.56237000      11.26234000       1.69053451       0.22100046      -1.95439389
Cr       1.25992000       2.45626000      11.18097000      -1.67619090       0.27014426       0.52441962
O        1.56212000       0.63313000      19.57796000      -2.12258817       2.88195865      -1.99426252
O        4.55339000       0.73339000      19.62527000       0.19489867      -0.49850999      -0.68268144
O        2.71259000       3.48907000      19.51351000       3.19219546      -1.42728654      -2.06927125
O        4.37588000       2.45919000       0.16150000       0.29263096       0.92464310       0.39257039
O        1.65001000       2.73079000       0.34059000       1.54737400      -1.91254306      -0.00163871
O        2.79105000       0.23396000       0.35636000       1.07691326      -0.55099228      -0.94733352
O        1.14183000       4.09849000       9.95900000      -0.09172130      -0.16607245       0.54942226
O       -1.60661000       4.19582000       9.96133000       0.59272280      -0.67541162       0.59408344
O       -0.36337000       1.79618000       9.96790000       0.71934237       0.93553451       0.36139290
O        1.48875000       0.71484000      12.44769000      -0.85643219       1.18655954       0.14090497
O        4.13723000       0.80838000      12.31574000       1.31937289       0.66114598       0.75460793
O        2.70842000       3.23246000      12.45033000      -0.17203876       0.27992494      -0.62673191
O       -1.30359000       2.62276000      21.61721000      -1.42564552      -1.01215106       0.99400343
O        1.26349000       2.35298000      21.73592000       2.72509833       2.38039885       1.21525790
O       -0.04754000       4.90806000      21.79185000       0.45406609      -0.19497208       0.01904328
O        1.66347000       4.48838000       2.55164000      -0.03010312      -1.54010054      -0.13908552
O       -1.32204000       4.38753000       2.69471000      -2.28075010       0.92379726      -1.02037268
O       -0.02855000       1.72821000       2.42707000       0.00183103       0.02941801       1.16506917
O        1.21763000       0.88712000       5.01611000       2.10527006       0.82772752       0.34235134
O        4.46049000       0.94461000       5.09943000       0.46049095       0.06559311      -0.77011401
O        3.02811000       3.83465000       5.03347000      -1.91361546      -1.03770164      -1.20711600
O        4.05142000       2.51290000      14.77872000       2.51270168       0.38751802      -0.21290005
O        1.45831000       2.46542000      14.78683000       0.40175627      -0.56701311       0.11657255
O        2.87973000       0.00610000      14.94376000      -0.33464026       1.74738751      -0.37518132
O        1.58045000       4.02698000      24.26210000       0.06975132       1.77021894      -1.96827856
O       -1.12184000       3.98592000      24.30879000       1.67560621       0.11323046       0.15339320
O        0.08815000       1.70356000      24.19168000       0.86658457      -0.68295296      -0.47901569
O        2.84050000       5.08131000      21.78312000       1.14865587      -1.00730359      -0.27928723
O        3.12588000       1.87833000       2.51920000      -1.63071913      -0.33450984       0.11186113
O       -0.17042000       3.31907000      12.21374000      -0.50664773      -0.02566241      -0.53538487
O        5.76096000       0.09992000       7.26854000       0.83803713      -0.46573938       0.19185804
O        2.93794000       1.80794000      16.84482000      -1.26214589      -0.94840182       2.64221224
O        0.10088000       3.10452000      26.21882000       2.62328269       1.89302230       2.44025094
O        0.01049000       0.10527000       0.44412000       0.80380448      -0.26207141      -0.22632171
O        2.66073000       1.63801000      10.25584000       1.36980987       0.09407066      -1.59593695
O       -0.00215000       3.42019000      19.57798000       0.28129637      -1.00698761      -0.30147309
O        0.03661000       1.54812000      17.13813000      -2.30522469       0.78831590       0.86312108
O        1.62046000       4.36400000      16.97394000      -1.84635800       0.96714583       2.29440827
O       -1.69570000       4.45072000      17.17011000       0.41212898      -1.46224152      -1.29657051
O        3.26165000       3.24334000      26.35897000      -2.24947714       0.57371642       1.24020106
O        1.69682000       0.89884000      26.33387000       1.19898151      -0.63479082       0.42600254
O        4.31435000       0.72228000      26.58149000       0.78573808       1.57331520       0.38843400
O       -0.18179000       4.96159000       7.43925000       1.24444265       0.88677670      -0.60841566
O       -1.54814000       2.69634000       7.38164000       1.04732892       0.08972131      -1.04590931
O        1.19557000       2.71172000       7.55442000       1.16982159      -0.28575335      -2.05634935
Zn       0.10750000       0.15997000      27.14014000       1.13899340      -0.86374665      -0.13048304
Zn       2.83600000       1.92910000       8.25157000      -0.15135698      -1.17364783       0.26496733
Zn      -0.04616000       3.40908000      17.64349000       0.01354330       0.81726861      -0.17821059
Zn      -2.50228000       4.85771000      23.71524000      -3.39715912       2.50146201      -1.58232816
Zn       2.80246000       2.02815000       4.53109000       0.57542376      -1.40845183      -0.47711371
Zn       0.05173000       3.44986000      14.06100000      -1.39471021      -0.05419530       0.41165927
Zn       2.79857000       5.04923000      13.55929000       0.30536237       0.17890761      -0.77192414
Zn       3.38711000       1.52647000      22.82061000      -0.95241629      -0.41471895      -0.20136308
Zn       0.10503000       3.34695000       3.55303000       0.24666744       0.90235180       0.68602074
Zn       2.69483000       5.10779000       9.27868000       0.22149517      -0.23153816       0.36391550
Zn       3.08759000       1.66604000      18.98398000      -0.91554213       0.09816119      -1.06603996
Zn       0.21846000       3.53190000      28.14005000      -1.77284621       0.32104068       0.21978618
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.62547076 magmom=71.9989475 free_energy=-552.62547076 stress="-0.026607119631239098 -0.0020233151500995863 -0.0012225216961548114 -0.0020233151500995863 -0.03319346544542962 0.003450344729933535 -0.0012225216961548114 0.003450344729933535 -0.03468943356085701" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33562000       0.87163000      16.03471000       0.37227668       0.17950149      -1.01549979
Cr       4.36076000       0.88555000      15.94589000       0.59793364       0.29502796       0.87700449
Cr       2.90045000       3.45749000      15.85037000      -1.02549958      -0.04755478       1.10881911
Cr      -1.40558000       2.43738000      25.38406000       2.07137453       0.94657674      -0.62372094
Cr       1.77040000       2.39968000      25.13952000      -1.25429196       1.32316440      -1.00945365
Cr       0.28138000       4.93153000      25.34240000       1.48226970       2.95578157       0.96911763
Cr       1.43257000       4.41065000       6.24838000       0.03622901      -0.44126920      -0.12423124
Cr      -1.43387000       4.28424000       6.20920000      -0.16861121       1.54226637      -1.09853197
Cr       0.07526000       1.83555000       6.25180000      -0.72230986      -1.16607376      -1.15999846
Cr       0.02410000       0.01988000      18.36454000      -1.64013468      -2.10359562      -2.02268933
Cr       2.87142000       1.82775000      27.70730000       1.90287365      -0.10537074      -2.46693752
Cr      -0.25542000       3.36949000       8.61189000       1.32800097       1.24541616       2.19931365
Cr      -0.01947000       0.08141000       3.84211000       0.83727687       1.62730656      -0.57967872
Cr       2.84905000       1.63342000      13.58633000      -0.47286138       1.36370476      -0.99689612
Cr      -0.03244000       3.22677000      22.93145000       0.52241107       0.23651742       1.42485855
Cr       0.00026000       1.61680000      20.57922000      -0.72527699       1.64289748       1.52915603
Cr       1.40177000       4.17821000      20.77212000       1.49063698       0.65816549      -1.81496781
Cr      -1.49434000       4.25131000      20.60904000      -1.29665538      -1.01699406       0.94842680
Cr       3.18496000       3.47354000       1.43197000      -2.14359792       1.03574625       1.72794086
Cr       1.65428000       0.98291000       1.59128000      -2.73416598      -1.08949879      -1.66658365
Cr       4.49071000       1.02856000       1.35596000       0.63674056      -2.83134114       0.81189660
Cr      -0.18242000       5.06384000      11.27823000       2.12868939      -0.45654072      -1.83528697
Cr       4.24837000       2.60024000      11.26954000      -1.80872576      -0.84012881      -1.58676813
Cr       1.29719000       2.43968000      11.16047000      -1.39624786       0.03424314      -0.26269020
O        1.36798000       0.80810000      19.48946000      -0.09367542      -1.28554715       0.63584759
O        4.58657000       0.74844000      19.44518000      -1.00434545      -0.42267614       1.42187678
O        2.80174000       3.42537000      19.35100000       0.93586733       1.51340564       1.85348262
O        4.37131000       2.59209000       0.19655000       0.38422183       0.14250641      -0.16941095
O        1.62259000       2.50125000       0.32508000      -0.04975179       1.14475254       0.74693440
O        2.96028000       0.28028000       0.15680000       0.30327323      -0.74808035       1.89270600
O        1.11299000       3.98650000       9.95713000       0.85992606       1.09871283      -0.18236638
O       -1.44961000       4.41430000      10.03062000      -1.73097632      -2.33367457      -1.01928327
O       -0.39418000       1.86768000       9.98085000       1.00882890      -0.53257688      -0.70679217
O        1.46831000       0.77055000      12.36839000      -0.87668756       0.83545832       1.19725662
O        4.23227000       0.90013000      12.35676000      -0.37660665       0.06187484       0.08921234
O        2.61807000       3.18939000      12.40267000       1.00914953       0.58696509      -0.24548885
O        4.40438000       2.43051000      21.68211000       1.74778607       1.85861030      -0.49535066
O        1.26254000       2.54896000      21.77183000       0.94000216      -0.81788938      -0.59035027
O       -0.08969000       4.92601000      21.92310000      -0.30305074      -1.21508720      -1.57857036
O        1.74942000       4.37329000       2.59288000      -1.02609906      -0.05835813      -0.31802074
O       -1.44768000       4.47361000       2.62063000      -0.13219376      -0.83029707       0.82945956
O       -0.05116000       1.69497000       2.52892000       1.29061971      -0.41911261       0.73532097
O        1.45207000       0.94554000       5.09493000      -1.45047984      -1.30784555       0.61390131
O        4.59139000       0.91370000       5.20999000      -0.53485595       0.36420252      -1.68393421
O        2.93656000       3.73554000       5.05754000       0.17179284       0.15422221       0.81480878
O        4.26824000       2.56976000      14.72135000      -0.43082260      -0.59648726       0.59936046
O        1.47521000       2.42104000      14.91697000       0.24080022       0.66993021      -1.26924030
O        3.04354000       0.19925000      14.74117000      -1.28989386      -1.90007579       1.24841283
O        1.51541000       4.17855000      24.03705000      -0.17362441      -1.45506399       0.06197950
O       -0.99995000       4.11576000      24.36361000      -3.04141992      -1.15910031      -1.85448445
O        0.08563000       1.70241000      24.20399000       0.30925353      -0.50999314      -0.02247129
O        2.93822000       5.05860000      21.68961000       0.22540186      -0.17514763      -0.21842896
O        3.01945000       1.82605000       2.56414000       1.40201801       0.15342048      -0.53332042
O       -0.18468000       3.31578000      12.15565000       0.97158018       0.53059273       1.45965205
O        0.02277000       0.00119000       7.19685000       0.15864602       0.89425333       1.70533663
O        2.78239000       1.73157000      16.96415000       1.22554617      -0.01375331      -0.78469801
O        0.37813000       3.27771000      26.23669000      -1.10195797      -0.92345868       1.19375459
O       -2.86842000       5.07852000       0.47597000       0.35177347       2.02908070      -1.28052933
O        2.73575000       1.58180000      10.15351000       0.74837673       1.06225610       1.09947881
O       -0.04030000       3.47189000      19.65566000       0.09525122      -0.84355190      -0.79153867
O       -0.09357000       1.61367000      17.24623000       0.09047403      -0.58375519      -1.85960123
O        1.47565000       4.33117000      17.06565000       1.96720828       1.26495349      -1.07828859
O       -1.68497000       4.33891000      17.02430000      -0.25072739      -0.02248858      -0.17176931
O        3.04411000       3.48482000      26.21862000       0.26117448      -1.99544759       0.82094985
O        1.84957000       0.86470000      26.28684000      -1.12428523      -0.17445032       1.11735049
O        4.34486000       0.97658000      26.62461000       0.41162493      -0.43658476      -0.77244591
O       -0.01896000       4.95174000       7.44003000      -0.59951629       1.00078602       0.12503807
O       -1.46878000       2.66387000       7.20693000      -0.24625615      -0.67488517       1.51671194
O        1.28761000       2.81128000       7.37443000       0.56506761      -1.02002077       1.16270694
Zn       0.13550000       0.09578000      27.11087000       0.23351155       0.25188455       0.13419611
Zn       2.83544000       1.85968000       8.34804000       0.00925566      -0.31791373      -2.37724597
Zn      -0.09087000       3.51538000      17.62907000       0.09145666      -0.71736134       1.03487477
Zn      -2.61043000       4.86393000      23.68762000      -0.72098328       0.93601806      -0.53246057
Zn       2.84099000       1.99415000       4.48951000       1.47720150      -1.30215094      -0.26582158
Zn       0.02669000       3.42796000      14.08944000      -0.26520512      -0.00188292       0.28548878
Zn       2.73272000       4.99439000      13.44031000       0.34488213       0.37711758      -0.35124793
Zn       3.30069000       1.42976000      22.76107000      -1.24856468       0.62205624       1.90403019
Zn       0.06737000       3.29533000       3.61060000       0.00608374       1.43189115       0.20701668
Zn       5.67450000       0.00887000       9.23931000      -0.13817370      -0.28296311       0.46615227
Zn       2.96307000       1.55339000      18.87343000       0.66859316       0.96765701       0.13894865
Zn       0.15708000       3.50791000      28.14504000      -0.31483013       0.13712494       0.70831459
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.82082184 magmom=72.0041811 free_energy=-551.82094854 stress="-0.04010884164438308 -0.0034875961722684 -0.0043335049768315785 -0.0034875961722684 -0.0374736259040037 0.00033356100885628405 -0.0043335049768315785 0.00033356100885628405 -0.0449565085864471" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42966000       0.84477000      16.09328000      -0.92634946       0.84824918      -3.92560944
Cr       4.40166000       0.85716000      15.97540000      -0.96352514       1.17477639      -3.13992061
Cr       2.96674000       3.48611000      15.84953000      -2.14813323      -1.74133422      -1.65552700
Cr      -1.37137000       2.50244000      25.39008000       0.96057618       1.82205199      -1.32467400
Cr       1.67613000       2.37812000      25.08917000       0.04446871       0.74192936       0.70898316
Cr       0.28144000       5.03990000      25.34373000      -0.22210248      -0.17215259      -0.69161797
Cr       1.41029000       4.39012000       6.35886000       2.51182744       0.46941107      -0.90806317
Cr      -1.36979000       4.28674000       6.22637000      -1.48419676      -0.00815062       0.54709659
Cr       0.06658000       1.86782000       6.17920000       0.42524114      -1.45334824       0.92939794
Cr       0.00573000       0.00222000      18.25294000      -1.05222820      -0.71323878       1.26657639
Cr       2.89426000       1.90254000      27.63165000       2.18423293      -1.29836603       1.75252402
Cr      -0.25161000       3.42431000       8.71142000       2.00770768       0.18010801      -1.22572299
Cr      -0.02425000       0.05703000       3.98288000       1.20509606      -0.28160521      -2.66114747
Cr       2.76933000       1.67854000      13.58601000       1.67754443       0.42523456      -0.36368849
Cr      -0.01183000       3.19242000      23.00621000       0.47647811      -0.22452037      -1.93223063
Cr      -0.09674000       1.72029000      20.50889000       0.69835582      -1.18080998       1.89605249
Cr       1.35082000       4.22822000      20.75198000       3.22251567       0.02361161      -2.68426200
Cr      -1.51667000       4.18818000      20.79742000      -1.34617788      -0.17424573      -4.56968421
Cr       3.09213000       3.53744000       1.53383000      -0.86638534      -0.75607440      -1.22245325
Cr       1.68735000       0.94897000       1.51758000      -1.03968111      -1.80995443       0.60812684
Cr       4.64812000       1.00445000       1.36213000      -0.87488562      -0.66503403       1.18573078
Cr      -0.12087000       5.03114000      11.17874000       0.52578243       1.81555062       0.70207052
Cr       4.29083000       2.58648000      11.19732000      -0.37685007      -0.01937241       0.87274671
Cr       1.25823000       2.44722000      11.14298000       1.02965398       0.40788082       0.37712433
O        1.20690000       0.94685000      19.41245000       1.23925958      -1.46556412       0.24911701
O        4.45971000       0.67079000      19.49133000       0.11181191       0.39753000      -0.05066395
O        3.07238000       3.59122000      19.48467000      -1.25410730      -0.95213001      -0.24884176
O       -1.49189000       2.71753000       0.27647000      -0.64333426      -1.01890456      -0.24270578
O        1.72237000       2.45197000       0.41842000      -0.84941369       2.45599406      -1.45747279
O        3.15543000       0.25758000       0.26023000      -0.30217915       0.53617559      -0.20758072
O        1.19313000       4.04881000       9.94768000      -0.06752877       1.03017881       0.07424370
O       -1.50329000       4.20001000       9.98453000      -0.35259832       0.36695985       0.11130696
O       -0.24698000       1.90343000       9.91164000       0.32452375      -1.23644818       0.19185807
O        1.34793000       0.98643000      12.46538000       0.28341117      -1.61064790      -1.09489628
O        4.21177000       1.03909000      12.39073000      -0.35076110      -1.73708301      -0.59145438
O        2.70451000       3.19361000      12.26391000       0.35046707       0.95435896       0.62016024
O       -1.37267000       2.54013000      21.73549000      -1.05713047      -1.40094554       1.44118096
O        1.40353000       2.65986000      21.77375000      -0.42435695      -2.36891826       0.05106945
O       -0.11976000       4.74298000      21.83613000       1.27985194       2.68748038       1.93617289
O        1.70540000       4.29558000       2.61433000      -1.10423652       1.13577574       0.54283852
O       -1.66182000       4.48152000       2.65372000       2.72747750      -0.84770972       1.44472368
O        0.13729000       1.53196000       2.70859000      -0.12134533       1.64300904      -0.53737323
O        1.45171000       0.80519000       5.26525000       0.12917917       1.05250613      -1.98020035
O        4.63016000       0.92146000       5.07723000      -1.69669783       0.35122924       1.21489967
O        2.85368000       3.68711000       5.19608000       0.73389739      -0.94844420       0.08897943
O        4.34487000       2.48455000      14.80450000      -1.24703868      -0.05339071      -0.26970523
O        1.58542000       2.43887000      14.87220000      -1.25731632       0.77796315       0.28585804
O        2.97194000       0.17472000      14.80486000      -0.96442286      -0.90468753       0.34474703
O        1.38936000       4.08370000      23.90441000       1.22742908       0.33675276       2.63281150
O       -1.19146000       4.06668000      24.23518000      -0.19315053       0.65169356       1.02804080
O        0.14019000       1.66455000      24.21721000      -1.09228835      -0.40522497       0.38017084
O       -2.90796000       5.05091000      21.57802000      -2.08984477       1.59239200       2.40605150
O        3.12857000       1.79105000       2.47087000       0.67473347       0.10829505       0.85701427
O       -0.10085000       3.39767000      12.20649000      -0.31755073       0.00542299      -0.29649170
O        0.18150000       0.05023000       7.34310000      -1.32600550       0.38662298      -0.54352475
O        2.85175000       1.65223000      16.92814000       1.47106833       1.27452459       0.41541015
O        0.46212000       3.36268000      26.35766000      -1.95634950      -0.39272133      -1.46602344
O        0.21034000       0.12726000       0.37885000      -0.24304930      -0.20405845       0.31901235
O        2.93117000       1.68999000      10.23444000      -1.71290526      -0.84403731      -1.39399672
O       -0.06174000       3.38988000      19.63103000       0.03457310       1.13609772      -0.92212346
O       -0.19533000       1.59629000      17.04296000       2.49273053       0.88085126       1.19942053
O        1.61966000       4.46671000      17.01290000      -0.87962899      -2.97377628       0.78943356
O       -1.64853000       4.23666000      16.87334000       0.74853430       1.61406634       2.43712545
O        2.86193000       3.36898000      26.23824000       2.33131764      -0.40617674       0.44523620
O        1.84826000       0.80639000      26.40171000      -0.69108239       0.63175125      -0.64439884
O        4.42363000       1.10055000      26.53229000      -0.06892619      -2.32481946       0.43987234
O        0.01403000       5.06741000       7.43148000      -0.88232149      -0.28943239       1.11760761
O       -1.35321000       2.60775000       7.25925000      -0.57449255       0.44284316       1.15815847
O        1.42382000       2.72460000       7.32552000      -1.06112538       0.03011358       1.28874027
Zn       0.17891000       0.04179000      27.08689000      -0.48572777       0.06714055      -0.04830263
Zn       2.83439000       1.77447000       8.33084000       0.22851614       0.00633734      -1.45784124
Zn      -0.11635000       3.58407000      17.66057000       1.63629575      -1.32286395       0.57661602
Zn      -2.77187000       4.92670000      23.61946000      -0.45905486       0.08678739      -1.09268648
Zn       2.93868000       1.89161000       4.44111000       0.22110121      -0.62752148       0.20566980
Zn      -0.01115000       3.40718000      14.13151000       0.21673106       0.04993145       0.61535217
Zn       2.69014000       4.96180000      13.32188000       0.36977502       0.60273757       0.12010701
Zn       3.16378000       1.37154000      22.78775000      -0.49680325       1.01372787      -0.17923945
Zn       0.03790000       3.31498000       3.68490000       0.08291934       0.72306493      -0.45145115
Zn       5.69508000       0.00492000       9.22739000      -0.03798234      -0.04782769       0.61660495
Zn       2.87182000       1.50127000      18.78340000       0.77946068       1.63568625       1.40564765
Zn       0.05890000       3.50918000      28.17779000       0.89672630       0.30673565       1.58388668
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.74604948 magmom=72.0018646 free_energy=-553.74604948 stress="-0.03185512422751238 0.003015949245088373 -0.001568465172550844 0.003015949245088373 -0.02363559605001072 -0.005156151077697713 -0.001568465172550844 -0.005156151077697713 -0.03766422264348648" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44172000       0.85662000      16.00785000       0.50004107       1.45661714      -1.46386048
Cr       4.43753000       0.85936000      15.89702000      -0.03941076      -1.52310637      -0.61368236
Cr       2.92272000       3.45187000      15.81101000       0.46285178       0.44513187       0.81086397
Cr      -1.31451000       2.62074000      25.37433000      -0.53333516      -2.68456621      -0.82329915
Cr       1.61266000       2.39198000      25.13358000       0.68966658      -0.55507148       1.94686492
Cr       3.21689000       0.03760000      25.33114000      -1.98240868      -1.60795535      -1.19629868
Cr       1.51395000       4.38877000       6.42490000      -0.58836848      -0.38248585      -0.29949317
Cr      -1.39489000       4.30248000       6.27836000      -0.84888808      -0.43869540       0.65855752
Cr       0.06447000       1.82261000       6.17580000      -0.39876909       0.43535501       1.73880417
Cr       2.90648000       5.08205000      18.17963000      -0.18393474       0.65873053       2.37284023
Cr       3.05717000       1.88109000      27.61705000      -0.14669960      -1.99919392       2.57589999
Cr      -0.13330000       3.47613000       8.75587000       0.98794165      -1.39089682      -0.51464103
Cr       0.02362000       0.03684000       3.95912000      -0.06854047      -0.36275346      -0.15766055
Cr       2.76819000       1.75111000      13.53917000       0.12312429      -1.50401033      -0.33918617
Cr       0.04815000       3.16827000      22.99520000       0.31605056       1.64550558      -0.05101763
Cr      -0.14422000       1.73760000      20.52968000       1.57410577      -0.98911786       1.32823597
Cr       1.47012000       4.26107000      20.60627000      -1.23317264      -1.95687189       1.65144703
Cr      -1.60570000       4.14819000      20.77588000       1.88949068       2.45884899       0.12148123
Cr       2.96989000       3.55453000       1.57232000       1.20804338      -1.26863797      -0.29288959
Cr       1.66510000       0.83337000       1.46734000       2.38244998       1.93772827       2.15544032
Cr       4.72727000       0.95077000       1.42957000      -2.01925004       1.65303067       1.55741283
Cr      -0.03836000       5.09947000      11.12388000      -2.71727890       0.12010948       0.81577499
Cr       4.29012000       2.55086000      11.16749000       0.78733493      -0.34835646      -0.29413130
Cr       1.28087000       2.48165000      11.15068000       1.24868795       0.78288462      -0.18020406
O        1.23583000       0.77532000      19.44627000      -0.26107390      -0.33117969       0.35825881
O        4.39731000       0.69004000      19.52061000       0.61779612       0.99910297      -1.47488442
O        3.03635000       3.60893000      19.52766000      -1.85505532      -1.49900030      -1.31733033
O        4.32722000       2.64270000       0.34632000       0.76577468       0.51299118      -0.65425953
O        1.67651000       2.78007000       0.29238000       0.88963687      -1.68912540       0.06014721
O        3.23720000       0.33329000       0.36909000      -1.35316961      -0.87272650      -1.34529019
O        1.21585000       4.26366000       9.98265000       0.33118601      -1.04920808      -0.05214658
O       -1.57375000       4.01614000       9.94338000       0.49596683       1.72974969       0.09987124
O       -0.04767000       1.81073000       9.90495000      -0.88997162       0.64124447       0.77132584
O        1.37869000       0.96050000      12.36681000       0.22286403      -0.58065563      -0.08554456
O        4.07804000       0.90913000      12.30567000       1.30330143       0.09314269       0.90571487
O        2.84894000       3.29113000      12.23578000      -0.73339352      -0.45632812       0.83172276
O       -1.35146000       2.53277000      21.89854000      -1.38479060      -0.17366957      -1.19596734
O        1.38328000       2.41253000      21.71953000      -0.29149286       0.98710763      -0.17407461
O        0.03156000       4.85276000      21.90549000      -0.54404251      -1.17362725      -1.21616354
O        1.58535000       4.44038000       2.70621000       0.91912751      -0.09200899      -0.38028405
O       -1.49286000       4.33011000       2.86436000      -0.44912697       0.45150648      -1.65617120
O        0.30014000       1.57569000       2.75607000      -0.66135908       0.22373305      -0.83638700
O        1.39117000       0.79170000       5.12939000       0.65586660       0.56511579       0.06541103
O        4.52030000       0.90145000       5.14732000       1.31603840      -1.03763258       0.67299363
O        2.92292000       3.56667000       5.34100000       0.10617493       0.23562042      -1.34184041
O        4.15472000       2.39373000      14.81234000       1.72183265       0.94973452      -2.09938500
O        1.54015000       2.54451000      14.83337000      -0.22725209      -0.80220189      -0.27703125
O        2.75392000       0.01834000      14.96629000       1.67196083       0.98881285      -1.55971744
O        1.40326000       3.99205000      24.20921000       0.62270540       1.53131570      -1.52514351
O       -1.36995000       4.08900000      24.23132000       1.38671076       1.08171169      -0.78855801
O        0.03103000       1.66829000      24.28730000       0.13770379       0.11262594      -0.69082210
O        5.72162000       0.12024000      21.71317000       0.95783384      -1.09959595      -1.84535837
O        3.32624000       1.81910000       2.47944000      -2.10075668       0.03019536       0.40012035
O       -0.06399000       3.46908000      12.17599000      -0.71510090      -0.90552710       0.58827902
O        0.08681000       0.15860000       7.32666000      -0.22476780      -0.39934071      -0.25379642
O        3.09607000       1.77671000      16.86991000      -1.65053151      -0.22328760       1.27048694
O        0.17072000       3.37763000      26.21541000       0.69767722       0.44046039       2.23476403
O        0.26483000       0.24209000       0.39016000      -0.55771394      -1.83862978      -0.49366073
O        2.82919000       1.67449000      10.17535000      -0.14604965       0.24927070      -0.84010757
O       -0.06487000       3.44447000      19.56059000      -0.25362810       0.00396294       1.52171650
O        0.03215000       1.67796000      16.95179000      -1.45358310      -0.63290754       0.97864515
O        1.62296000       4.20107000      16.99015000      -0.32066426       1.64956521       0.06813462
O       -1.60995000       4.39148000      17.04833000      -0.78774925      -0.67257547      -0.46861426
O        3.06787000       3.19910000      26.28942000      -0.97337107       1.98368862       0.41865774
O        1.77354000       0.88332000      26.40106000       0.71841527       0.22024067       0.21883023
O        4.48390000       0.86538000      26.45651000      -0.21411060       1.29843768       0.60696930
O       -0.09412000       5.02966000       7.53984000       1.03650218      -0.10813599      -0.60501376
O       -1.28636000       2.65752000       7.48102000      -1.11541534      -0.24500969      -1.21142176
O        1.31377000       2.69452000       7.47506000       0.17388225       0.76932676      -0.07116855
Zn      -2.75666000       5.10547000      27.05925000      -0.16682609      -0.39324372      -0.13586133
Zn       2.84749000       1.70492000       8.22993000       0.40058880       0.91369984      -0.54374257
Zn      -0.05514000       3.57501000      17.71530000       0.44601981      -1.02828577      -0.81471336
Zn       2.96300000       4.98863000      23.52162000       0.16676021      -0.37168167       1.21894067
Zn       3.03667000       1.77013000       4.40212000      -1.03870974       0.42929649       0.04261336
Zn      -0.03833000       3.38884000      14.19247000      -0.89246883      -0.16002683      -0.62857291
Zn       2.67265000       4.96525000      13.22845000       0.57380533       1.03956689       0.34959603
Zn       3.00719000       1.37699000      22.83564000      -0.25775258       1.47212089       0.36875555
Zn       0.01564000       3.37340000       3.74198000       0.40173216       0.20503156       0.06733614
Zn       2.76549000       5.10700000       9.24616000       0.80639688      -0.09564093       0.28083775
Zn       2.83051000       1.53776000      18.77077000       0.18707973       1.07666629       0.70745837
Zn       0.01206000       3.52595000      28.27260000       0.37885505       0.46398460      -0.03181347
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-554.1621482 magmom=72.0001734 free_energy=-554.1621482 stress="-0.03424401857930294 -0.0008737179982697699 0.004421353050616178 -0.0008737179982697699 -0.03264586210469313 -0.0037494070266737975 0.004421353050616178 -0.0037494070266737975 -0.03907024093807074" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43498000       0.92379000      15.89345000       0.43012182      -0.60377939       0.91153858
Cr       4.47269000       0.79572000      15.81900000      -1.20486449       1.19050268      -0.34321724
Cr       2.90052000       3.44626000      15.83999000       1.69998429      -0.33103189      -0.87840827
Cr      -1.32855000       2.59118000      25.34866000      -0.95627658      -0.10923582      -0.47376792
Cr       1.60229000       2.40643000      25.30684000      -0.44118346       2.73671464      -0.20395595
Cr       3.09877000       0.06388000      25.28620000      -0.38828075      -1.55890509      -0.15328969
Cr       1.57344000       4.34322000       6.45923000      -1.89552483      -1.46763998      -1.73819430
Cr      -1.46838000       4.28703000       6.37101000       0.58011319       0.45913397      -1.30735966
Cr       0.04257000       1.81302000       6.27562000      -0.18686066       1.14240371      -0.57526003
Cr       2.83792000       5.10893000      18.20266000       0.53772315      -0.34573010       0.53795437
Cr       3.21327000       1.75645000      27.70574000      -1.81396264       0.96594787      -0.87820508
Cr       0.01133000       3.44480000       8.77147000      -2.54956877      -0.29752679       1.17106271
Cr       0.08796000       0.00238000       3.90679000       0.85681985       0.75828382       0.95890015
Cr       2.78546000       1.72424000      13.47115000       0.20592197      -2.00204143       0.57936497
Cr       0.10270000       3.23506000      22.94899000      -1.34878025       1.05985486       0.63722850
Cr      -0.10596000       1.67835000      20.60248000      -1.09818763       0.66342814      -1.00046800
Cr       1.50944000       4.20617000      20.52148000      -3.39603530      -0.28300968       1.25394850
Cr      -1.59835000       4.22642000      20.72963000       0.92540235      -1.42109803       0.61859100
Cr       2.92264000       3.48734000       1.56862000       1.96720959       1.32020598      -1.43210943
Cr       1.74874000       0.82679000       1.50863000      -1.87624174       0.72372602       0.28929881
Cr       4.67116000       0.98882000       1.55863000      -0.15018636       0.90593240      -1.73472214
Cr       2.84745000       0.05691000      11.12479000      -1.53991321      -2.16283189      -0.16887444
Cr       4.32612000       2.51832000      11.13271000      -0.00711689       0.20615750      -0.08918238
Cr       1.37211000       2.55323000      11.16154000      -0.35293702       0.52793479       0.23887414
O        1.21509000       0.55146000      19.53790000       0.60277171       2.40568508      -1.28088327
O        4.46889000       0.82835000      19.35895000      -0.27638244      -0.91431543       0.66449669
O        2.73047000       3.41770000      19.33442000       1.41830964       1.43295373       0.27061438
O        4.35729000       2.60734000       0.34432000       0.91562747      -0.03416140       1.06777281
O        1.81323000       2.78168000       0.18537000      -0.88226728      -1.74791705       0.59201374
O        3.11705000       0.27795000       0.30469000       0.99465073      -0.47259520       0.78082305
O        1.23354000       4.27743000      10.03146000       0.91386579      -0.46575413      -0.30060170
O       -1.49081000       4.10766000       9.94964000       0.31157814       0.46005674       0.04579231
O       -0.02913000       1.86846000      10.04445000      -0.98932844      -0.55368160      -1.09599092
O        1.48502000       0.87900000      12.21973000      -1.02702357       0.38251788       0.88338535
O        4.12444000       0.81202000      12.33360000       0.63913836       1.14487240      -0.49755681
O        2.87853000       3.23025000      12.31991000      -0.39497385       0.61941951      -0.92810108
O        4.41661000       2.53070000      21.85932000       0.46201977       0.31849595      -0.14014327
O        1.26910000       2.37195000      21.66631000       2.07709753       0.90728292       0.95544012
O        0.09705000       4.77951000      21.79410000      -1.12023425       1.45048371       0.19272276
O        1.68432000       4.57590000       2.70610000      -1.00072084      -1.95051465       0.00904266
O       -1.44114000       4.31373000       2.75740000      -0.32913154       0.41023486      -0.58511412
O        0.29782000       1.62256000       2.64448000      -0.69846981       0.21145976       0.63500021
O        1.39716000       0.88455000       5.02956000       0.46172428      -0.32439163       1.88093628
O        4.63996000       0.72515000       5.31412000      -0.82365971       1.53210706      -2.38712841
O        3.01441000       3.54711000       5.25790000      -0.38371611      -0.06538566      -0.58106736
O        4.19631000       2.44071000      14.53945000       0.11180107      -0.12467160       2.16049697
O        1.52750000       2.49439000      14.76966000      -0.07523249       0.52357584      -0.37467924
O        2.83387000       0.12072000      14.83808000       0.81906952       0.05678893      -0.81615956
O        1.48597000       4.10960000      24.32168000      -1.10269484      -0.97933270      -1.08865674
O       -1.23779000       4.22139000      24.15648000      -0.21607657      -0.14616870      -0.04034449
O       -0.00893000       1.76685000      24.23878000       1.38365308      -0.67344348      -0.17330252
O        5.68974000       0.06848000      21.54969000       1.63739673      -1.45478962       1.79125677
O        3.14053000       1.84296000       2.50381000      -0.13649771      -1.07307988       0.51489696
O       -0.14872000       3.38274000      12.16057000       0.45053181       0.32716232       0.39608993
O       -0.00526000       0.18466000       7.27067000       1.58047989      -0.62793465       2.63615846
O        3.07569000       1.84431000      16.90095000      -0.68744934      -1.40865668      -0.79096676
O        0.00481000       3.47649000      26.37983000       1.22555788      -0.31327532      -0.00389883
O        0.22840000       0.06758000       0.46462000      -0.31252757       0.26262746       0.20271068
O        2.68789000       1.66912000      10.00415000       1.56287435       0.48336753       0.73749948
O       -0.10395000       3.48998000      19.74579000      -0.11787649      -1.22870064      -2.42534787
O        0.04468000       1.65601000      17.02089000      -1.07962989      -0.67353405      -0.21174677
O        1.57429000       4.19536000      16.93068000      -0.11762565       2.21559801       0.01187411
O       -1.67354000       4.43838000      17.06454000       0.76143510      -0.86217487      -1.11535720
O        3.13529000       3.32502000      26.38744000      -0.69796441      -2.05923200      -0.19644138
O        1.82753000       0.96790000      26.42606000      -0.45712574      -1.23109253       1.38215198
O        4.45834000       0.84293000      26.43927000       0.23749338       1.22450846       0.19313710
O       -0.02046000       4.92923000       7.50561000       0.39874614       1.43282696      -0.20350988
O       -1.36284000       2.70680000       7.48070000      -0.13139471      -0.85120900      -0.14383962
O        1.23622000       2.78454000       7.53716000       2.45740487      -1.86185258      -0.81795150
Zn      -2.75290000       5.04685000      27.02917000      -0.01812680       1.22378965       0.93006348
Zn       2.88147000       1.68301000       8.10139000       0.14443322       0.54629536      -0.34823932
Zn       0.02345000       3.50694000      17.74707000      -1.40293974      -0.39524328       0.43584497
Zn       2.81744000       5.03352000      23.47363000       1.72568680       0.48488469       0.16979361
Zn       3.08787000       1.67123000       4.37964000      -0.09514674       0.16815639       1.38639646
Zn      -0.10658000       3.36693000      14.22154000       0.22594968       0.67685250      -0.98791608
Zn       2.68941000       5.02157000      13.16819000       0.97354065       0.31506934       0.55214387
Zn       2.84398000       1.45126000      22.89832000       0.42294216       0.37051404      -0.68987784
Zn       0.01675000       3.43669000       3.80658000       0.34436311      -0.16510775      -0.04848045
Zn       2.82449000       5.09704000       9.28418000       0.67534662       0.40138178       0.54171832
Zn       2.79966000       1.62626000      18.80467000      -0.30783592      -0.85102605       0.39720025
Zn      -0.00330000       3.56214000      28.36786000       0.94918735      -0.55712308      -0.36391794
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.97858795 magmom=72.013839 free_energy=-552.97935806 stress="-0.038166166486355964 -0.004756465629984556 -0.0007402802503807452 -0.004756465629984556 -0.047155050990742804 0.007157900790159876 -0.0007402802503807452 0.007157900790159876 -0.045125701899144825" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42836000       0.95267000      15.84611000      -0.64239316      -1.82598478      -0.60978724
Cr       4.45718000       0.80095000      15.75170000      -0.26283541       2.92182639      -1.40983325
Cr       2.95956000       3.44256000      15.86140000      -0.75415531      -0.57274258      -1.74046069
Cr      -1.41752000       2.51767000      25.31887000       1.58679369       1.45312004      -1.58497097
Cr       1.58019000       2.54029000      25.51602000      -2.15460953      -0.48747660      -1.76480148
Cr       2.95368000       0.02010000      25.26737000       2.04007770       0.57518356       1.54124589
Cr       1.53385000       4.22868000       6.38397000       1.36488964       1.13897349      -1.74566870
Cr      -1.50549000       4.28747000       6.39975000       1.29024067       1.05988609      -1.03373435
Cr       0.00946000       1.85383000       6.35858000       0.77673898      -2.08277201      -1.10219788
Cr       5.73141000       0.00644000      18.23840000       2.22639156       0.35111005      -2.32444011
Cr       3.27777000       1.67337000      27.76523000      -1.72478734       0.54425964       0.47484178
Cr       0.03979000       3.38507000       8.82810000      -0.35559565       0.73843638      -1.98941904
Cr       0.19443000       0.01192000       3.89259000      -0.93347481       1.01446557       0.01144192
Cr       2.82852000       1.60481000      13.42049000       0.60981509       2.73192199      -0.48246157
Cr       0.08031000       3.37118000      22.92639000      -0.99266200      -0.98908574      -0.35780731
Cr      -0.10064000       1.62551000      20.63108000      -0.10936356      -0.09750348       0.08843041
Cr       1.37695000       4.15021000      20.48256000       0.33221154       0.75378151       1.11046053
Cr      -1.51041000       4.24120000      20.68316000      -0.31210776      -1.59810466      -2.31017665
Cr       2.98287000       3.45951000       1.48250000       0.26794577      -0.03980598       1.12007109
Cr       1.72202000       0.86975000       1.54714000      -3.70262101       0.02769525      -2.19028253
Cr       4.58359000       1.06017000       1.60512000       0.52147177      -3.52157294       0.38931160
Cr       2.69904000       0.01115000      11.12843000       3.80784066       0.60315279       0.76329430
Cr       4.35884000       2.50984000      11.10048000      -1.43306848       0.63440644       0.54485033
Cr       1.43828000       2.64084000      11.17790000      -1.78750644      -1.67339945      -0.68253056
O        1.26222000       0.70129000      19.45272000      -0.62938322      -0.21515875       0.56191261
O        4.46753000       0.82643000      19.37399000      -0.96170117      -0.52474002       1.48999522
O        2.65488000       3.51347000      19.22251000       1.04942841      -0.41288646       1.25507772
O       -1.39988000       2.55762000       0.48444000      -0.79429540       0.44110621      -1.34410972
O        1.86504000       2.42900000       0.24231000      -1.32296057       0.71062131       0.48474743
O        3.14176000       0.20468000       0.38056000       0.92119415       0.52383981       0.62089080
O        1.34327000       4.15589000      10.02354000      -0.40022573       1.16253025      -0.27967498
O       -1.32376000       4.24767000       9.95944000      -1.85565352      -1.52664035      -1.41134409
O       -0.14605000       1.89396000      10.00792000       1.49283728      -1.11706604      -0.84115340
O        1.44599000       0.90904000      12.21533000      -0.88658455      -0.06047079       0.53036881
O        4.24034000       0.95895000      12.24419000      -0.39684501      -1.17441060      -0.49053410
O        2.84366000       3.18935000      12.25044000       0.95957418       1.64167746       0.71027738
O       -1.46282000       2.60612000      21.75404000       0.74600553      -0.81608298       0.75877683
O        1.38203000       2.54989000      21.73004000      -0.21899121      -0.61979609      -0.44153716
O       -0.04697000       4.85989000      21.67857000       0.84101099       1.52167185       0.97563106
O        1.73580000       4.41828000       2.67556000      -0.84591998       0.03832070       0.52944690
O       -1.51591000       4.42091000       2.53944000       1.16540695      -1.69789939       2.27389359
O        0.14359000       1.64374000       2.63676000       0.85271447       0.71042785       1.40577277
O        1.43619000       0.89538000       5.30023000       0.16003572      -0.43433250      -0.60916671
O        4.70383000       0.75178000       5.14788000      -0.17631798       0.17913935       0.65620473
O        3.05451000       3.58465000       5.09247000      -0.11325966      -0.67368812       0.99115966
O        4.19557000       2.43148000      14.63494000       0.01678874       0.49555696       0.55245390
O        1.57405000       2.48539000      14.66490000      -0.79608241       0.75914662       0.49321888
O        3.08365000       0.22109000      14.57028000      -1.78813795      -3.17412806       1.60814667
O        1.33703000       4.08966000      24.20913000       1.30257949       0.54798479       0.57804910
O       -1.14231000       4.29084000      24.07644000      -3.15139333      -0.78918214       0.53920434
O        0.19331000       1.83055000      24.17957000      -0.98668322      -0.63626699       0.69855199
O        2.92747000       4.90267000      21.55119000      -2.08993907       1.86947282       1.00288388
O        2.94721000       1.75110000       2.56859000       2.23378778       1.04140821       0.60395690
O       -0.16040000       3.34481000      12.16305000       0.65900584       1.11291372       0.38687802
O        0.13430000       0.08755000       7.51590000      -1.02962200       0.01487842      -2.33874849
O        2.90028000       1.67123000      16.76193000       0.69563886       0.58595953       1.79237060
O        0.10620000       3.53549000      26.48854000      -0.42214768      -0.95589157      -1.30556281
O       -2.83476000       5.06437000       0.55056000       0.03856594       2.05044253      -2.32117531
O        2.82970000       1.74528000      10.03030000       0.11202713      -0.46921140      -0.20620728
O       -0.15319000       3.30453000      19.60554000       0.37332145       0.08486065       0.39078625
O       -0.12410000       1.52258000      17.03284000       1.32770419       1.35506611      -0.56124708
O        1.53598000       4.51266000      16.87487000      -0.35574499      -3.91860229       1.82067607
O       -1.58055000       4.32583000      16.85119000       0.15838096       0.55940897       1.32482243
O        3.03826000       3.16431000      26.44519000       1.47385633       1.57954914       0.81335277
O        1.80854000       0.88073000      26.60013000      -0.18953619       0.47464521      -0.81298871
O        4.47580000       1.01248000      26.41497000       0.63344723      -2.06307084      -0.14812878
O        0.13117000       4.97751000       7.40845000      -1.01898523      -0.98079133       0.83991002
O       -1.40812000       2.65549000       7.38490000       0.95793338       0.21374936       1.07478134
O        1.45223000       2.63789000       7.45989000      -2.31498866       0.98286362       0.22742491
Zn      -2.75240000       5.03865000      27.04717000      -0.65203610       0.33138709       1.29722238
Zn       2.92886000       1.68844000       7.95695000       0.92335016      -0.68143519       1.58353858
Zn       0.03431000       3.41219000      17.78014000      -0.49594307       0.16195103      -2.51677522
Zn       2.75529000       5.10176000      23.44911000       1.18859934       0.32682647       0.56974926
Zn       3.12879000       1.58212000       4.42953000      -0.61297657       0.62777811       1.25795619
Zn      -0.16409000       3.38432000      14.19625000       0.94822649       0.51583723      -0.79216353
Zn       2.75943000       5.10103000      13.14676000       0.44916086      -0.22650511       0.49455803
Zn       2.69520000       1.55871000      22.94353000       0.75769460       0.38789170      -0.71193200
Zn       0.04229000       3.49131000       3.87908000       0.42579019      -0.21916698      -0.88343441
Zn       2.92161000       5.10550000       9.35722000      -0.30258964       0.27170688       1.36551046
Zn       2.75666000       1.67499000      18.85419000       0.86930156      -0.35147507      -1.06334265
Zn       0.03339000       3.56707000      28.45172000       1.41633932      -1.20149189      -0.19630758
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.85898289 magmom=72.0022234 free_energy=-552.85898289 stress="-0.02549199267407011 -1.8531870715461137e-05 0.004478846318714177 -1.8531870715461137e-05 -0.03773640643302539 0.005296325536046669 0.004478846318714177 0.005296325536046669 -0.027060629563020026" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38251000       0.87101000      15.79756000       0.91883236      -0.20986146      -1.50959872
Cr       4.42361000       0.89985000      15.67677000      -0.56069667      -3.13649194       2.27455228
Cr       2.97472000       3.42892000      15.83736000      -3.17216634       0.07135726       0.68116454
Cr       4.45532000       2.50331000      25.24155000       0.42217541      -0.00430323       0.07938928
Cr       1.48719000       2.64658000      25.62897000       2.58931387      -2.20905620      -3.20099560
Cr       2.90583000       0.00398000      25.33049000       1.15928736       0.34936205      -0.91659713
Cr       1.54340000       4.17016000       6.20495000       0.33201780       1.28737066       0.51200122
Cr      -1.45265000       4.32062000       6.36830000       1.22003902      -1.87125722       0.31065203
Cr       0.01840000       1.78090000       6.36674000       0.34805400      -1.70151790      -0.95042882
Cr       5.78027000       0.02057000      18.17773000      -0.25767951       0.08657531      -0.10048176
Cr       3.24147000       1.62950000      27.84131000      -0.52902286       0.05103238      -1.83493595
Cr       0.03499000       3.36840000       8.76703000       0.63793646       0.68410897      -1.50052179
Cr       0.24595000       0.06786000       3.89220000      -1.31424930      -1.03883534       0.87922026
Cr       2.90278000       1.60781000      13.37863000      -0.89038143       1.97173198       1.17152775
Cr      -0.01111000       3.46828000      22.90486000       0.27794179      -0.36839933       1.10253941
Cr      -0.11328000       1.55488000      20.64022000       0.46658297      -0.28190736       1.22029371
Cr       1.27603000       4.15081000      20.49215000       2.22335367       0.81556491       1.60641459
Cr      -1.45840000       4.17001000      20.55135000      -2.86730985       0.66384097       0.49111721
Cr       3.06615000       3.45846000       1.42804000      -0.93443686       0.15629599       2.37618038
Cr       1.50191000       0.89535000       1.50975000       1.29579224      -1.25947124       2.34332813
Cr       4.53705000       0.96057000       1.64245000       1.87990762      -0.69260075       1.71231580
Cr      -0.21913000       5.09092000      11.14623000       1.84188069       1.32619375      -1.76417325
Cr       4.34097000       2.54361000      11.08722000       1.19141474       0.86838558      -0.71382099
Cr       1.41781000       2.64923000      11.15936000       0.17442887      -0.98071471      -0.67669354
O        1.17371000       0.83463000      19.41107000       0.57050826      -1.77868492      -0.20534667
O        4.32250000       0.72027000      19.61145000       0.60783826       0.64991173      -2.28470805
O        2.79411000       3.60200000      19.36623000       0.82592899      -0.92411800      -0.02938817
O       -1.40719000       2.55823000       0.45500000      -0.37500248      -0.17226153      -0.58481828
O        1.68792000       2.27854000       0.35748000       0.83202604       3.39923096      -1.52874905
O        3.25457000       0.21094000       0.56161000      -2.42231671      -1.31906230      -1.75636291
O        1.33427000       4.17186000       9.99620000      -0.35357375       0.73961439       0.05812611
O       -1.35060000       4.13651000       9.84713000      -0.27555501       0.02088891       1.21250077
O       -0.05553000       1.81857000       9.87928000       0.22945257       0.88739913       1.69101056
O        1.37400000       0.97414000      12.28148000       1.33799094      -0.11844305      -0.57628342
O        4.22253000       0.94197000      12.07619000       0.11400802      -1.12461439       1.98441752
O        2.91851000       3.36485000      12.23011000      -0.06490168      -0.76815722       0.48311596
O       -1.24167000       2.59879000      21.74420000      -1.84886198       0.24158626       0.46409728
O        1.40014000       2.67626000      21.71912000      -0.95030809      -1.32799220       0.38330773
O       -0.13059000       5.10401000      21.69532000       0.19829026      -1.38902579       0.19158378
O        1.72239000       4.26458000       2.72133000       0.51608193       1.33723925      -0.27039075
O       -1.45074000       4.33409000       2.66489000       0.04327470       0.32328096      -0.44905872
O        0.09382000       1.69039000       2.82921000       0.70093660      -0.29778017      -1.07502753
O        1.47849000       0.83400000       5.46215000       0.65468818       1.19865398      -2.84763368
O        4.78103000       0.81462000       5.09376000      -0.65756445      -0.71697122       0.79977463
O        3.07735000       3.57547000       5.12315000       0.14332083      -0.65765862       0.05620625
O        4.14681000       2.48389000      14.78395000       1.63549826       0.37077400      -3.13378089
O        1.55156000       2.55270000      14.65104000       0.32380353      -0.92885990       0.24663598
O        3.03745000       0.01621000      14.55735000      -0.68664374       3.47119132       0.92818261
O        1.30629000       4.11728000      24.22137000       0.36175649       0.86880671       0.50959490
O       -1.47811000       4.18792000      24.15936000       0.93328819      -0.02073342       0.51669246
O        0.21663000       1.84227000      24.24768000      -1.08034090       0.39924806      -0.35505673
O        2.86350000       4.91189000      21.60630000       0.10856940       0.58963054      -0.91293899
O        3.08969000       1.76850000       2.60138000      -1.08813247       0.16559348      -0.19054691
O       -0.05970000       3.48836000      12.15178000      -0.66398256      -1.13278856       0.26325780
O       -2.85566000       5.07704000       7.37773000      -1.43807436       0.51286859       0.41598673
O        2.83178000       1.58962000      16.81736000       0.96451008       1.13257774       0.37479357
O        0.07778000       3.45194000      26.35539000      -2.65197917       0.82392512       2.51865455
O        0.01212000       0.12525000       0.38095000       0.65021365      -0.82575338       1.90929672
O        2.97088000       1.73193000      10.08293000      -1.98674772      -0.47725137      -1.13878686
O       -0.12812000       3.11495000      19.54897000      -0.02773600       1.93629746      -0.48118398
O       -0.07219000       1.56191000      16.85986000      -0.05154162      -0.31035667       0.41542328
O        1.46692000       4.33751000      16.99827000       1.71080221       0.57399135      -1.19505910
O       -1.50614000       4.30621000      16.79954000      -1.20395117       0.36787726       1.40751248
O        3.14334000       3.16421000      26.57301000      -0.45019507       0.40150605       0.01489235
O        1.78796000       0.88844000      26.61532000      -0.02772053       0.74401447       0.17889325
O        4.55951000       0.88294000      26.35524000      -1.85259246       0.01425084       0.45560268
O        0.12553000       4.84026000       7.43302000      -0.15596583       1.48237564      -0.05954805
O       -1.25303000       2.66729000       7.45627000      -1.63708630      -0.29207688       0.00214928
O        1.30731000       2.64560000       7.41425000       1.89008399      -0.11416799       0.83509627
Zn      -2.78598000       5.05923000      27.12643000       0.05239120      -0.05046734      -0.66787221
Zn       3.01411000       1.66940000       7.87517000      -0.25100400      -0.09332759       1.12163732
Zn       0.01642000       3.32424000      17.69103000      -0.41492515       0.36953584      -1.03523420
Zn       5.71400000       0.08494000      23.46254000       0.43080345      -0.33888144       0.87930659
Zn       3.13338000       1.52718000       4.55155000      -0.90648038       1.25242805      -0.20933630
Zn      -0.17068000       3.41718000      14.12801000       0.41092177      -2.13500839      -0.65484777
Zn       5.80607000       0.05915000      13.16863000      -0.51916533      -0.34750725       0.66711125
Zn       2.58597000       1.68895000      22.96811000       0.85269965      -0.04545080      -0.21631226
Zn       0.09044000       3.53473000       3.91868000       0.25210057      -0.43605198      -0.79633773
Zn       0.05550000       0.01539000       9.47608000      -1.05698274      -0.64181448      -1.01637866
Zn       2.76269000       1.69827000      18.85884000       0.76514882       0.21254340      -0.37999132
Zn       0.15113000       3.50978000      28.52173000       0.52937871      -0.27937775      -0.52633054
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.08471142 magmom=71.9985793 free_energy=-551.08471144 stress="-0.05578425532471733 -0.0035135533604211235 -0.0019178151210730739 -0.0035135533604211235 -0.04142268866516218 -0.007236168010123045 -0.0019178151210730739 -0.007236168010123045 -0.03596128162276577" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36356000       0.75469000      15.69876000       0.25846605       1.51297393       0.81561467
Cr       4.36980000       0.85907000      15.73784000      -0.37999829       0.12222875       0.01456118
Cr       2.84203000       3.41813000      15.85553000       2.65774651      -1.91096963      -2.14525458
Cr       4.42773000       2.48767000      25.20589000      -2.12683445      -0.50486658       3.70582388
Cr       1.48568000       2.64380000      25.57991000      -0.02590907       1.00706205      -0.88290692
Cr       2.92604000       0.01668000      25.38677000      -2.01155556      -0.70865512      -0.28319861
Cr       1.56438000       4.17070000       6.05462000      -1.20304304      -0.99902357       2.81411024
Cr      -1.33318000       4.27129000       6.33982000      -1.95666038      -0.48082203      -1.01766377
Cr       0.07194000       1.62181000       6.33473000       0.60008372       1.67176294       0.66344818
Cr       5.83400000       0.03511000      18.08655000      -1.05979819      -0.43062852       2.46456411
Cr       3.15180000       1.61039000      27.85766000      -0.19575400       0.64982660      -1.65001004
Cr       0.06337000       3.40001000       8.63440000       0.22251786       0.12451792       2.03375125
Cr       0.21955000       0.06226000       3.92963000       0.35569741      -1.90906253       0.34740288
Cr       2.92899000       1.75127000      13.39869000      -0.49821245       0.22555308       0.13637325
Cr      -0.10293000       3.53679000      22.94135000       0.17744205      -0.44531616       1.45646754
Cr      -0.12207000       1.49682000      20.66855000      -0.19698268       4.22289165      -1.52093933
Cr       1.31607000       4.20119000      20.57678000       0.10938324      -0.28196725       0.08832366
Cr      -1.55632000       4.12889000      20.44456000       2.16920047       1.29853102       3.99450271
Cr       3.10490000       3.43812000       1.48592000       0.50990827      -0.22493228       1.04851860
Cr       1.36452000       0.89424000       1.55443000       6.22644280       1.28598621       0.53904916
Cr       4.53564000       0.80065000       1.72147000      -2.27206049       2.88512964      -1.88378590
Cr       2.89260000       0.02659000      11.08075000      -1.05369900      -0.12753275      -0.17898090
Cr       4.35892000       2.59638000      11.04787000      -0.12235235      -2.49589252       1.52151833
Cr       1.40335000       2.60281000      11.10345000       2.15349466       1.10864280       0.72055315
O        1.14781000       0.65494000      19.38017000       1.47601718       1.32548497      -0.15296229
O        4.33276000       0.70204000      19.48580000       1.18330623      -0.11251183      -1.13739973
O        2.98776000       3.47411000      19.51571000      -3.63380662      -0.12375177      -2.67062886
O        4.41041000       2.55263000       0.33019000       0.87035847      -0.69093362       1.49663498
O        1.75242000       2.57149000       0.34655000       1.73278617      -2.09914203       1.19503307
O        3.00493000       0.08520000       0.53104000       0.06965002       1.38345526       0.34634318
O        1.23069000       4.29072000       9.96699000       1.70704622      -0.54556868      -0.89827634
O       -1.40072000       3.99509000       9.88509000       0.46400213       2.49436639      -1.13143591
O        0.07700000       1.91964000      10.01454000      -1.79053942      -1.42799957      -1.69629951
O        1.58938000       1.02160000      12.22680000      -1.39811374      -0.92307944       0.08079505
O        4.19439000       0.79227000      12.23615000       1.38052256       1.44257109       0.07593237
O        2.99916000       3.36620000      12.25967000      -0.65642426      -0.06645264      -0.69545667
O       -1.28126000       2.63660000      21.77788000      -2.07687528      -0.58745588      -0.22908030
O        1.18224000       2.60806000      21.75302000       1.06814497      -0.32721343       0.44773874
O       -0.15696000       5.03851000      21.75035000       0.15806120       0.04724669      -0.65139300
O        1.84646000       4.38607000       2.74679000      -1.09625537      -1.47997136       1.06522444
O       -1.42788000       4.30798000       2.77252000       0.13005641       0.59662389      -0.56413310
O        0.17589000       1.61076000       2.84526000      -1.11945358       1.20118792      -0.18992832
O        1.52233000       0.85401000       5.19071000      -1.48438172      -1.19792786       1.34509714
O        4.76352000       0.72901000       5.18714000      -1.31412416       0.85883001      -1.52565403
O        3.13456000       3.48323000       5.21651000       0.43037600      -0.14634087      -1.04047069
O        4.24456000       2.54228000      14.53140000      -0.66656520      -0.83981039       2.42099116
O        1.59315000       2.44696000      14.70048000      -1.23899945       1.04113670      -0.64836769
O        2.82584000       0.28383000      14.71691000       1.85921025      -2.90903576      -1.76082341
O        1.32771000       4.28214000      24.35261000      -0.23541500      -1.04458097      -1.15734674
O       -1.65050000       4.09658000      24.33162000       1.50337710       2.29817417      -1.79049038
O        0.03361000       1.96000000      24.26657000       1.43868993      -0.62871555      -1.02372568
O        2.79510000       5.02299000      21.51587000       0.67061291      -1.94661419       2.72064683
O        3.10382000       1.80606000       2.54297000      -0.95825128      -0.84403591       1.49859751
O       -0.05589000       3.46284000      12.10473000      -0.28501299      -0.44544581       0.12282442
O        2.82006000       5.02903000       7.20009000       2.17904774       0.23043210       2.09032021
O        2.94142000       1.72521000      16.88937000      -0.19263279      -0.35980920      -0.90402500
O       -0.25567000       3.44073000      26.49113000       2.39780657      -0.12832660      -0.49502764
O        0.02687000       0.16696000       0.55160000      -0.63552382      -1.77646461      -1.39815904
O        2.81598000       1.66178000       9.99009000       0.77830540       0.77642455      -0.31371160
O       -0.08109000       3.25390000      19.55656000       0.29525789      -0.17701799      -1.59937955
O       -0.01597000       1.56915000      16.69786000      -0.97652677      -0.65913358       1.46809658
O        1.64634000       4.19592000      16.92982000      -2.93678387       2.07124374       0.59388011
O       -1.65780000       4.37005000      16.97718000       0.54355330      -0.86689244      -0.91027632
O        3.18887000       3.22836000      26.66538000      -1.91031808      -0.76084647      -1.05551727
O        1.76438000       1.04143000      26.58212000      -1.65283340      -1.03493127       0.54895361
O        4.31633000       0.73148000      26.39140000       1.39641493       1.42698968       1.49593252
O        0.06714000       4.90582000       7.41593000       0.77147639       0.57943719      -0.63269155
O       -1.28659000       2.64363000       7.47266000       0.60824315      -0.32547273      -1.29415603
O        1.36741000       2.67031000       7.41585000       0.87096589      -0.96180663      -0.82560931
Zn      -2.82756000       5.08424000      27.18741000       0.13634902       0.27241075      -0.61886071
Zn       3.09518000       1.63914000       7.86269000      -1.32226636       0.42347371       1.64183990
Zn      -0.02257000       3.25968000      17.51931000      -0.33906505       1.20247530       1.15190999
Zn       5.74983000       0.16855000      23.52686000       0.29382368      -0.78018984      -0.02012850
Zn       3.10128000       1.54257000       4.66703000       1.27091969       1.80874336      -2.03339127
Zn      -0.13083000       3.38376000      14.02406000       1.91009704       1.03706946       0.01941209
Zn      -0.01428000       0.11434000      13.23399000      -0.14486204      -0.43369085      -0.05275782
Zn       2.52233000       1.82380000      22.99152000       1.08126862      -0.48576421      -0.31654662
Zn       0.15550000       3.55822000       3.92172000      -0.33047310      -0.50936600      -1.17737768
Zn       0.08655000       0.01320000       9.56045000      -1.21485054       0.16651841      -0.62148149
Zn       2.81485000       1.73352000      18.84070000      -0.33241255      -1.08385199       0.23845952
Zn       0.27926000       3.43846000      28.55487000      -3.07050372       0.45041898      -1.63353611
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.68059603 magmom=71.9996006 free_energy=-553.68059603 stress="-0.0362477494466258 0.004508663018933 0.0007935697809428428 0.004508663018933 -0.03574427686468461 -0.007924098938393399 0.0007935697809428428 -0.007924098938393399 -0.02894853735716177" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34767000       0.70693000      15.66565000       0.63421919       0.72090572       0.33274126
Cr       4.30486000       0.79578000      15.83889000       0.02919113       1.08604226      -2.73403484
Cr       2.81167000       3.35327000      15.81596000       0.97919982       1.62893491      -0.67709809
Cr       4.29576000       2.46815000      25.37898000       1.50902331       1.05075689      -0.49713015
Cr       1.49260000       2.66784000      25.47350000      -3.23998958      -0.85788178      -1.57383886
Cr       2.86319000       0.00827000      25.45806000      -1.11515572       0.09809153       0.05531772
Cr       1.53806000       4.13161000       6.07946000       0.89346926       0.38597849       1.63421448
Cr      -1.30479000       4.18245000       6.26416000      -1.26123880       0.85241082      -0.77748104
Cr       0.15409000       1.54596000       6.33692000      -0.99066529       0.76269091      -0.83043308
Cr       5.83102000       0.01399000      18.09293000       0.84724962      -1.92337992       0.81448917
Cr       3.04464000       1.63755000      27.82221000      -0.40263552       0.48066119       1.09636499
Cr       0.11264000       3.44226000       8.59448000      -0.34167350      -0.79720477      -0.42817452
Cr      -2.76054000       5.06632000       3.96461000      -1.14622877       0.67019780      -1.41334113
Cr       2.91395000       1.89322000      13.42986000       0.15282186      -3.26635608      -0.07838926
Cr      -0.18947000       3.56709000      23.04077000       0.20598565      -1.63467562      -1.64197870
Cr      -0.14824000       1.62621000      20.62113000       0.09453708       0.20206030      -0.76891207
Cr       1.38053000       4.23220000      20.64976000      -1.04844436      -0.92947496      -1.63662985
Cr      -1.59637000       4.13759000      20.51104000       0.25745064       0.54402404       0.05071283
Cr       3.17872000       3.39130000       1.63381000       0.69857309       0.98171302       1.27821186
Cr       1.54725000       0.95779000       1.62277000      -2.01451466      -0.57819359       1.09783540
Cr       4.41556000       0.78835000       1.69227000       1.47970218       0.38689144      -0.18135291
Cr       3.01883000       0.08076000      10.99679000      -1.29781930      -1.11648627       1.17510957
Cr       4.37925000       2.54565000      11.06094000       0.58793524       0.02299489      -1.01167924
Cr       1.48409000       2.59264000      11.06460000      -1.14801623       0.00934319      -0.91462717
O        1.35380000       0.64834000      19.34005000      -1.47392127       0.43676044       0.80497938
O        4.56677000       0.71673000      19.20232000      -1.78543207       1.27968341       3.09626952
O        2.71005000       3.50826000      19.34758000       1.17639491       0.79799983       0.58721470
O        4.45389000       2.40101000       0.43690000       0.37616424      -0.21187579      -0.10392988
O        1.98978000       2.54366000       0.48303000      -3.93222636       0.30674952      -0.86536429
O        2.78422000       0.14685000       0.48963000       2.84141412      -1.16057533      -1.15727995
O        1.34741000       4.28578000       9.83230000      -0.04889505      -0.79683920       0.75425446
O       -1.29365000       4.17523000       9.85253000       0.55104277      -0.16411065       0.12015169
O       -0.03786000       1.89697000       9.93958000       0.42751313       0.11742150      -0.67135307
O        1.65550000       0.96616000      12.14942000      -0.76829048      -0.08097071       0.40718137
O        4.31306000       0.91285000      12.38338000      -0.01884056       0.51670224      -1.71962350
O        2.96639000       3.28607000      12.14123000      -0.34657463       1.72070838       0.22427807
O        4.26670000       2.62756000      21.76611000       1.00779926      -0.71126261       0.16353485
O        1.06193000       2.51578000      21.85581000       0.87654371       1.03556494      -0.47123520
O       -0.14407000       4.87861000      21.68642000      -0.23449893       1.48832532      -0.16644239
O        1.80920000       4.34027000       2.84616000      -1.54137188      -1.24699941      -1.04180763
O       -1.43075000       4.42293000       2.75079000       0.96410474      -0.78556825       0.06961712
O        0.08250000       1.60609000       2.77269000      -0.52699613       0.21682072       0.25667639
O        1.37929000       0.70843000       5.15098000       2.73241380       0.68241670       1.07740602
O        4.61423000       0.69369000       5.09921000       1.48369303      -0.32017624       0.80418727
O        3.20927000       3.44182000       5.16274000      -1.16025975       0.77229031      -0.25935160
O        4.24305000       2.44133000      14.68687000       0.63735035       1.28514489       0.22876109
O        1.48425000       2.46435000      14.66487000       0.04393863      -0.14802278      -0.00371957
O        2.90888000       0.18962000      14.59867000      -0.51415874      -0.75765837      -0.12929475
O        1.24275000       4.27396000      24.31872000       0.67637316       0.41490604      -0.44982006
O       -1.46350000       4.28340000      24.26711000      -0.91198939       0.02845416       1.07202093
O       -0.00575000       2.03850000      24.20000000      -0.60425327      -1.25718699       1.50333413
O        2.84084000       4.94578000      21.72919000       0.05101340       1.09734765      -1.43627336
O        2.97201000       1.70759000       2.68435000       0.89007831       0.07999853       0.33635598
O       -0.08474000       3.34188000      12.01968000       1.02496731       1.28353424       0.42798868
O        2.94370000       5.03026000       7.31847000       0.78414354      -0.66931532       0.25481439
O        3.00890000       1.79685000      16.77973000      -1.78774303      -1.70504304       1.66522752
O       -0.18136000       3.42052000      26.47809000       0.89453064      -0.10758298       0.11495195
O        2.96877000       5.04987000       0.64626000       0.18255175       0.95888541      -1.39941646
O        2.79342000       1.71161000       9.89820000       1.60901381       0.12230974       0.44447338
O       -0.02039000       3.43785000      19.39002000      -0.77251547      -1.20007497       1.56045312
O       -0.09554000       1.45249000      16.79135000       0.99354642       0.47242060       0.26989922
O        1.43669000       4.35875000      16.85327000       0.63162298      -1.52731083       0.70382557
O       -1.70681000       4.27463000      16.94046000       0.17427121      -0.03663777      -1.41923402
O        2.89897000       3.14612000      26.52113000       1.57805141       1.92928306       1.39485048
O        1.48687000       1.05973000      26.59625000       1.34240604      -0.37810003      -0.42733034
O        4.22079000       0.82641000      26.59695000       1.29187144      -0.23290926      -1.40191783
O        0.12493000       4.97312000       7.24490000       0.58815783      -1.06035734       0.79434017
O       -1.18770000       2.57799000       7.25279000       0.01252756      -0.31050828       2.02155986
O        1.53614000       2.56263000       7.27072000      -1.07107376       0.33784967       0.86447963
Zn       0.08617000       0.00761000      27.22153000      -0.94691415      -0.75708618       0.96554565
Zn       3.11801000       1.63740000       7.93884000       0.05084050       0.60690619       0.41260429
Zn      -0.08403000       3.25566000      17.39472000      -0.12683921       0.73333324       1.01735579
Zn      -0.10161000       0.21449000      23.59939000      -0.10930768      -0.54164416       0.30610158
Zn       3.09769000       1.64269000       4.68555000      -1.20341932      -0.22382146      -1.10832982
Zn      -0.00795000       3.38603000      13.92168000      -0.91061401       0.65248435       0.59153173
Zn       0.05895000       0.14848000      13.31196000      -0.14355645      -0.29034225      -0.29900047
Zn       2.52189000       1.93583000      23.00954000       1.30654997      -0.44713964      -0.58671106
Zn       0.20686000       3.55482000       3.87718000      -0.51044822      -0.73082341      -0.83859376
Zn       0.05418000       0.01675000       9.59736000       0.34973157       0.33343400      -1.50351695
Zn       2.85843000       1.70386000      18.82052000       0.44887757      -0.57596406      -0.29100372
Zn       0.27895000       3.38360000      28.51858000      -0.91233566      -0.05187218       0.06442729
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.81054693 magmom=72.0016453 free_energy=-551.81054693 stress="-0.027775527374615902 0.0011391091258644835 -0.00037588501303888205 0.0011391091258644835 -0.04918554420089563 0.0070419880951492165 -0.00037588501303888205 0.0070419880951492165 -0.034275453091170215" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32790000       0.71018000      15.69638000       1.17301260       1.09068057      -0.98252521
Cr       4.26912000       0.78097000      15.83255000       0.57452802       0.61858438      -0.94523248
Cr       2.84691000       3.36465000      15.77009000      -2.29454157      -0.55695786      -0.14923074
Cr       4.22677000       2.50653000      25.57050000       2.23752468       1.97390503      -2.45204084
Cr       1.37023000       2.64970000      25.31365000       1.14652075      -0.27164816       0.69256883
Cr       2.75498000       0.02334000      25.55635000       2.73953121       0.25887405      -1.21849328
Cr       1.56244000       4.10154000       6.20142000       1.92854748       0.55843717      -0.89074015
Cr      -1.33295000       4.12206000       6.17431000       1.28965147      -0.43980300       1.71243588
Cr       0.18645000       1.52022000       6.31051000      -0.38945664      -0.31826978      -0.27771724
Cr       2.88668000       5.03237000      18.13738000      -0.35770817       1.45247030       0.30295414
Cr       2.93612000       1.67848000      27.81684000      -0.04649023       1.02628704       0.93310275
Cr       0.14105000       3.43742000       8.55945000      -0.30832795      -0.97248725       0.08366155
Cr      -2.83391000       5.01652000       3.91364000      -0.21744603       2.55977512      -0.54854474
Cr       2.91054000       1.85451000      13.43493000       0.91412285      -1.51630482      -1.31615443
Cr      -0.25743000       3.50515000      23.04267000       0.39016635      -0.19672719      -1.34794807
Cr      -0.15830000       1.76911000      20.53514000       0.91193200      -1.65508441       1.94006248
Cr       1.37391000       4.22117000      20.63780000      -1.06886327       1.03239997      -0.03656414
Cr      -1.61337000       4.18688000      20.58955000      -0.70640183       0.72167899      -0.49744406
Cr       3.26737000       3.39336000       1.80161000      -2.04619188      -0.56389359      -3.12971161
Cr       1.65725000       0.97707000       1.70814000      -4.09341314      -1.75423377      -1.47691874
Cr       4.37529000       0.80648000       1.62891000       3.13589498      -3.05107206       0.51738977
Cr       3.05620000       0.07231000      10.98863000       0.18794760      -0.54500264       1.00359728
Cr       4.44230000       2.52211000      11.03500000       1.05808717       3.70223314      -1.42411584
Cr       1.51820000       2.58426000      10.99083000      -0.77200703      -0.89614823      -0.49679842
O        1.27590000       0.73821000      19.44172000      -0.33703464       0.01521438      -0.58229341
O        4.56915000       0.86254000      19.40214000      -1.20070176      -1.28590825      -1.04043802
O        2.62416000       3.64878000      19.29861000       1.90409406      -3.09722902       0.92652406
O        4.50226000       2.28902000       0.53564000      -1.24354038       2.15758987      -1.36428202
O        1.68165000       2.50644000       0.52549000       2.27488287      -0.82208927       0.39025552
O        2.98592000       0.10792000       0.33966000      -0.39723222       0.44617755       0.90184131
O        1.42990000       4.10853000       9.82894000       0.30319782       1.31447813       0.32403323
O       -1.08601000       4.33195000       9.81510000      -2.04294593      -0.60916764      -0.35902798
O       -0.11288000       1.90730000       9.74330000       1.23985398      -0.35017404       1.27474538
O        1.61057000       0.93463000      12.11928000       0.26120721       0.30663483       0.58611248
O        4.37678000       1.13336000      12.22857000      -0.25219929      -2.03103219       1.27067868
O        2.89666000       3.38898000      12.06986000       0.73047492       0.00692665       1.42621443
O        4.17781000       2.55512000      21.74523000       1.22557231       0.40808389       0.45751423
O        1.06207000       2.63978000      21.82984000       0.74178515      -0.07171902       0.18209960
O       -0.16853000       4.89333000      21.61497000      -0.05964505       0.62971621       1.64796072
O        1.63949000       4.13202000       2.76093000       1.67363945       1.36286694      -0.44925846
O       -1.35889000       4.43646000       2.74514000       0.34889685      -0.67175349       0.78029899
O       -0.09099000       1.56288000       2.74965000       1.50302174      -0.37686630       0.40474066
O        1.56465000       0.64628000       5.26105000      -0.52160117       0.79920917      -1.89223096
O        4.72481000       0.62802000       5.15094000      -0.90605384       0.90252486       0.21694123
O        3.08533000       3.55182000       5.09111000       0.13643662      -1.56271407       0.40465598
O        4.28980000       2.50463000      14.87082000       0.04176800      -0.43153574      -2.44279462
O        1.47514000       2.41640000      14.65206000       0.34441878      -0.17354637       0.06590376
O        2.99698000       0.05391000      14.46123000      -0.92265875       2.29522338       1.25553668
O        1.20444000       4.28287000      24.21436000      -0.01493088       0.31745714       0.21248818
O       -1.39289000       4.42915000      24.33304000      -2.07131701      -1.35542922      -0.12989078
O       -0.14764000       1.96704000      24.35874000      -0.97459332       0.12088104      -0.50378306
O        2.88058000       5.05005000      21.65121000      -0.61090600       0.69436014       0.26651208
O        3.02143000       1.62859000       2.79087000       1.03649153       1.02132769      -0.94097488
O        0.04219000       3.42468000      11.93995000      -0.02337780       0.21730270       0.81918567
O       -2.67078000       4.96694000       7.41821000      -0.96369996      -0.11374192      -0.70543471
O        2.78177000       1.61478000      16.81065000      -0.01839365       0.17367580      -0.29620343
O        0.04324000       3.40307000      26.42806000      -1.97154795       0.40501545       1.46388478
O        2.98794000       4.93554000       0.56560000       0.52645094       1.00052412       1.39006014
O        3.04619000       1.77033000       9.95236000      -0.73553074      -0.51670980      -0.22566538
O       -0.11370000       3.39514000      19.51978000      -0.32766104       0.21101979      -1.10211352
O       -0.02950000       1.40622000      16.89455000      -0.58253603       0.30579953      -0.60619656
O        1.29980000       4.33506000      16.88619000       2.73631478      -0.39283527      -0.05603646
O       -1.67022000       4.18247000      16.62766000      -0.01163204       1.11561995       2.97133335
O        2.79232000       3.32586000      26.54190000       0.36862743      -0.78885719       0.38256195
O        1.46823000       1.03829000      26.52564000       0.56191761       0.20515135       0.78596376
O        4.34620000       0.93162000      26.59415000      -1.71290601      -0.30164991       0.04277064
O        0.22322000       4.80708000       7.21233000      -1.54443260       2.14524399       1.52814107
O       -1.07072000       2.53442000       7.32374000      -2.11436367      -0.19598566       0.20982276
O        1.48677000       2.52213000       7.26422000       0.94738384      -0.29236723       1.63145339
Zn       0.00983000       0.00361000      27.28994000      -0.10365408       0.00873748       0.20221001
Zn       3.13084000       1.66616000       8.03435000       0.12234485      -0.20929251      -0.82077185
Zn      -0.14830000       3.28364000      17.34297000      -0.08057166      -0.61928471       1.69331346
Zn      -0.06236000       0.22121000      23.67369000      -0.58829510      -1.16894017      -1.03340427
Zn       3.05618000       1.72736000       4.65484000       0.63661726      -1.25488535       0.87327959
Zn       0.06561000       3.41038000      13.84855000      -0.91729169      -0.69012732       0.13685904
Zn       0.11804000       0.16416000      13.37709000      -0.50769026      -0.38440015      -0.97840089
Zn       2.58930000       2.01674000      23.00815000       0.89724264      -0.39290583      -0.87083315
Zn       0.22043000       3.51033000       3.81121000      -1.13253790      -1.13558039       0.58664884
Zn       0.04153000       0.03351000       9.55838000       1.20945577      -0.47833530      -1.32284787
Zn       2.91146000       1.64037000      18.79087000      -0.63450721       0.37578305       0.56033260
Zn       0.21745000       3.33400000      28.47207000      -1.63272622       0.55482524      -0.54558865
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.09131523 magmom=72.0014224 free_energy=-553.09131523 stress="-0.03371113586280587 0.002879417868235068 -0.000827587566056188 0.002879417868235068 -0.046738626296150235 0.0047608801183176026 -0.000827587566056188 0.0047608801183176026 -0.04035262021718798" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34182000       0.75594000      15.69999000      -0.93594069      -0.43591686      -0.74083435
Cr       4.29406000       0.80343000      15.78137000       0.73293539       0.47448707       0.33762840
Cr       2.79506000       3.38178000      15.75358000       1.79548864      -1.47630363      -1.00804476
Cr       4.25465000       2.64093000      25.68215000       0.19973629       1.50989496      -2.59485431
Cr       1.28352000       2.60786000      25.20870000       0.86094600       0.64355860       1.93311520
Cr       2.80024000       0.06890000      25.60298000       0.24495431      -1.03510811      -3.37043400
Cr       1.66161000       4.11358000       6.30550000      -0.78392813       0.74226774       0.73192832
Cr      -1.28586000       4.06047000       6.18049000       0.66985778       0.83276266       0.08527011
Cr       0.19878000       1.49981000       6.28819000       0.74195740       1.05481587       0.91139984
Cr       2.88643000       4.97651000      18.17195000      -0.36405668       0.80561307       1.26846407
Cr       2.86707000       1.75076000      27.82485000       0.89565212       0.23886706       1.32398750
Cr       0.13997000       3.38003000       8.55025000      -0.48971073       0.67010635       1.29249686
Cr      -2.91644000       5.09768000       3.84888000       1.58468505      -1.86812138       3.34742116
Cr       2.96475000       1.73006000      13.35886000       0.49552736       2.08434016      -0.71327976
Cr      -0.28830000       3.43660000      22.96228000       0.61536326       1.25755329       2.08143172
Cr      -0.12636000       1.79409000      20.54548000      -1.07152647      -0.98037289       1.11349916
Cr       1.30772000       4.26776000      20.60746000      -0.35569158       0.84998132      -0.04620139
Cr      -1.66496000       4.29643000      20.62651000       0.12817285      -0.59671463      -0.07476302
Cr       3.24574000       3.36950000       1.76459000      -0.76476935      -0.77953301      -2.28760136
Cr       1.55322000       0.89250000       1.71477000       2.14750153      -1.26835366      -0.43662841
Cr       4.51820000       0.70189000       1.56584000      -0.47349046       1.71998038      -0.71280239
Cr       3.08077000       0.03626000      11.03259000       0.54180690       1.66591197      -0.62008279
Cr      -1.34261000       2.68307000      10.95810000      -1.68540422      -0.01603126       1.63419107
Cr       1.52259000       2.53369000      10.91600000       2.23747109       0.39607191       2.05280368
O        1.09477000       0.79155000      19.45974000       1.75923322      -0.26913355      -1.19549844
O        4.39020000       0.78557000      19.53676000       1.23946646      -0.97496215      -1.50779850
O        2.86632000       3.37280000      19.42911000      -0.81050861       2.31327669       0.11354193
O        4.32079000       2.48696000       0.45151000       1.21972449      -0.88794129      -0.52379791
O        1.68542000       2.38427000       0.60096000      -0.59747012       1.84567755      -0.69406975
O        3.14909000       0.13505000       0.32584000      -1.23895671      -0.51748184       0.56423996
O        1.46497000       4.14245000       9.87588000      -0.11018917       0.88965587      -0.91836847
O       -1.15843000       4.33457000       9.75436000      -0.00286364      -0.91706158       0.66221253
O        0.05033000       1.91710000       9.80790000      -0.00188153      -0.91755498       0.22504275
O        1.66093000       0.97809000      12.15456000      -0.76252687      -0.82289395      -0.42985175
O        4.36063000       1.08863000      12.17595000       1.05829617      -0.64510099       0.01822949
O        2.94672000       3.41323000      12.21062000       0.58042372      -0.50811369      -0.65368336
O        4.38758000       2.60221000      21.79068000      -1.39221310       0.13526839      -0.15758654
O        1.15041000       2.78250000      21.78103000       0.35287529      -1.57871281       0.55306663
O       -0.23156000       4.95384000      21.79322000       0.25779794       0.82444405      -0.46507203
O        1.76766000       4.20610000       2.63451000      -1.63829428      -0.15962506       1.85252270
O       -1.33597000       4.32979000       2.84727000      -0.38251640      -0.05678918      -0.29249997
O        0.02766000       1.42389000       2.75786000       0.31606538       3.05033244      -0.44749718
O        1.59499000       0.64507000       5.10474000      -1.52195961      -0.29459828       0.40039140
O        4.73249000       0.67316000       5.25718000      -1.22864986       0.18781627      -0.95911847
O        3.00369000       3.51117000       5.10521000       1.12989397       0.29467570       0.00375107
O        4.26766000       2.50939000      14.62964000       0.52731149       0.06384676       0.60511681
O        1.58511000       2.34326000      14.64407000      -1.66484066       1.90225983      -0.98052514
O        2.89488000       0.29072000      14.59243000       0.08214728      -3.54423392      -0.45271859
O        1.11433000       4.29740000      24.18147000       0.03693831      -0.17609278       0.62039807
O       -1.59565000       4.30051000      24.46602000       0.80072011      -0.48159809      -0.10621607
O       -0.41157000       1.94798000      24.43762000       1.81609411      -0.52811604      -1.80856145
O        5.74413000       0.12825000      21.54003000      -0.14366961      -1.04828180       2.21470314
O        3.22413000       1.69538000       2.63578000      -1.26980893      -1.16188714       1.37700988
O        0.16967000       3.52069000      11.95561000      -0.75169059      -1.35306222       0.36107244
O       -2.59136000       4.90861000       7.30347000      -1.82182864       0.47844443       0.36940658
O        2.61153000       1.47278000      16.80641000       3.07804771       1.79816429       0.95537010
O       -0.05755000       3.45883000      26.51508000      -0.09762118      -0.12940716      -0.21661691
O       -2.78941000       5.03659000       0.72373000       0.50353520       0.22717007      -1.89573731
O        3.16436000       1.72747000      10.02165000      -1.09774721       0.23488472      -0.66298411
O       -0.27130000       3.40197000      19.53471000       1.09898686       1.04416978      -1.31026372
O       -0.05829000       1.42878000      16.85724000      -0.98473482       0.10329462       0.48105820
O        1.61755000       4.20830000      16.91140000      -2.67059776       0.73455173       0.17623279
O       -1.69949000       4.28328000      16.79177000      -0.50074352      -0.51044834       0.72583141
O        2.78569000       3.36946000      26.63143000      -0.84297347      -0.53073583       0.05948906
O        1.55136000       1.11813000      26.55145000      -1.77731948      -0.65878040       0.60477743
O        4.21240000       0.95694000      26.54982000       0.55708494      -0.29165294       1.32829323
O        0.13070000       4.90411000       7.38150000       0.59207448      -0.30976541      -1.09711514
O       -1.22991000       2.49748000       7.41645000       1.57621038       0.25042786      -1.32724153
O        1.50458000       2.49238000       7.48041000      -0.20977328       0.19701065      -1.18201696
Zn       2.86924000       5.11020000      27.37680000       0.15236408       0.87114450      -0.29452377
Zn       3.14508000       1.67887000       8.09409000      -0.69663304      -0.93912010       0.14627833
Zn      -0.20234000       3.28826000      17.37748000       1.05581586       0.05510434       1.35405085
Zn      -0.06241000       0.17257000      23.69765000      -1.22892342      -0.26765127      -0.89160335
Zn       3.04873000       1.74087000       4.64945000       0.96918044      -1.50979791      -0.92770155
Zn       0.08040000       3.41154000      13.80088000      -0.46690615      -0.05101331       1.87777567
Zn       0.14744000       0.15610000      13.39883000      -0.76319009      -0.71861535      -1.26047294
Zn       2.70585000       2.07239000      22.97353000       0.38173186      -0.73901081      -0.64454908
Zn       0.18226000       3.41177000       3.77572000      -0.01119328      -0.30257061       0.12128308
Zn       0.09302000       0.02788000       9.44764000       0.06657947      -0.27197592      -0.79649418
Zn       2.92640000       1.60112000      18.77795000      -1.65497767      -0.18401947      -0.13845400
Zn       0.08629000       3.30921000      28.41354000       0.16706578       0.26642866       0.95938207
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.870321 magmom=71.9955821 free_energy=-551.870321 stress="-0.04251344580598689 -0.006726363348517038 -0.011960329411392696 -0.006726363348517038 -0.02580727829454544 -0.007195241461109204 -0.011960329411392696 -0.007195241461109204 -0.04378857424905448" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31407000       0.80096000      15.69822000       0.55718999       0.06765240       1.11181548
Cr       4.36056000       0.83991000      15.75008000      -1.21602951      -1.51483609      -0.88324043
Cr       2.81461000       3.34176000      15.71702000       1.31795681       0.52659127       0.76535769
Cr       4.25351000       2.79706000      25.70939000      -1.68855226      -3.89627127      -1.48446622
Cr       1.26186000       2.58623000      25.23674000       0.31437151      -0.68456741       2.36985810
Cr       2.87741000       0.09569000      25.50947000      -2.34900313       0.76892743      -0.07964374
Cr       1.71024000       4.16622000       6.42588000      -2.62361181      -0.51980833      -2.72931937
Cr      -1.19761000       4.05701000       6.20310000      -1.08307652       1.76813433      -1.53610518
Cr       0.23384000       1.54330000       6.30709000      -0.90681024       0.99900835      -0.90062571
Cr       2.84895000       4.95653000      18.28464000      -0.88353024       0.31654552      -1.84925161
Cr       2.87412000       1.80818000      27.84812000      -2.03565667      -1.95756787       0.23345770
Cr       0.11493000       3.35059000       8.62010000       0.43552408       0.41144504       0.20731078
Cr       0.02966000       0.01063000       3.94201000       0.18152174      -1.04150725      -0.60986086
Cr       3.05113000       1.69026000      13.24585000      -0.82946223      -0.40141971       2.38460680
Cr      -0.26448000       3.45504000      22.98924000       0.52246475       0.89097418       0.99024506
Cr      -0.14025000       1.74321000      20.61993000      -0.47552172       1.13864716      -0.60163448
Cr       1.22244000       4.34917000      20.58832000       0.01425236      -1.93589033       2.10352511
Cr      -1.71673000       4.39331000      20.62955000       2.38467726      -0.74986678       1.45601192
Cr       3.15001000       3.29404000       1.58845000      -0.90017120       1.18508756       2.27348943
Cr       1.58804000       0.76249000       1.68408000       3.46051821       1.34216627       0.63725566
Cr       4.63746000       0.67937000       1.47068000      -1.88203851       2.29048691       1.90122470
Cr       3.14484000       0.07577000      11.05205000       0.03522568      -1.06915591      -1.20907489
Cr      -1.31612000       2.83422000      10.97496000      -1.37291253      -5.53033093       2.13474013
Cr       1.65018000       2.51089000      10.96855000      -0.84258740       2.32211059       1.06646357
O        1.17691000       0.83708000      19.34586000      -0.40217961       0.26119189       1.38469597
O        4.43493000       0.58590000      19.35916000      -0.26190951       2.85074041       0.36622578
O        2.97011000       3.43050000      19.59789000      -2.37665137       0.16331581      -1.43720890
O        4.29201000       2.55149000       0.27491000       0.27961750      -1.72670603       0.90210510
O        1.66064000       2.50106000       0.58431000      -0.65763537      -0.06839450      -0.43117942
O        3.08813000       0.12284000       0.45120000      -0.32095080      -0.31579217      -0.53381289
O        1.42843000       4.32567000       9.78437000       0.31518186      -1.22070260       0.43266763
O       -1.21805000       4.17412000       9.79153000       0.34112483       2.29919341      -0.96836855
O        0.20774000       1.83658000       9.94977000      -1.22849593       0.27686268      -1.22871428
O        1.67001000       0.92140000      12.10168000      -0.18743122      -0.49196016       0.26526149
O        4.45433000       0.90151000      12.16457000       0.64862110       0.55617259       0.37399326
O        3.12127000       3.28912000      12.22304000      -0.32538469       1.13449672      -0.98923879
O       -1.49182000       2.71461000      21.76211000      -1.04339823      -0.45063815      -0.61132133
O        1.20794000       2.70936000      21.78561000      -0.90869866       0.11688499      -0.12036941
O       -0.25915000       5.06728000      21.88909000       0.35974307       0.32933773      -1.16848192
O        1.73732000       4.32829000       2.76469000      -0.55818279      -0.94471802      -1.06213421
O       -1.47574000       4.21263000       2.85868000       0.03829777       0.40902943      -0.88042335
O        0.24031000       1.63992000       2.74628000      -1.25786514      -1.34535548      -0.11878618
O        1.35911000       0.60987000       5.06331000       3.35107864       1.28907013       1.47173801
O        4.60055000       0.73358000       5.24490000       0.97299677      -0.60619732       0.35423885
O        3.11557000       3.52136000       5.18688000      -0.67550780      -0.87701024      -0.19776718
O        4.28560000       2.45862000      14.48090000       0.22030185       0.13953176       1.79107335
O        1.51465000       2.52447000      14.52249000       1.56834758      -1.87997133       0.70339378
O        2.81189000       0.05576000      14.65957000       0.41216137       0.88702345      -0.58244656
O        1.00810000       4.24575000      24.27925000       1.79486803       0.50604103      -0.81635796
O       -1.64929000       4.12940000      24.49894000       0.42147183       3.08049064      -2.40306572
O       -0.36908000       1.93500000      24.24242000       0.72096859      -0.19443081       0.85820925
O        5.62794000       0.12349000      21.73617000       0.49409032      -0.43654809      -0.97659835
O        3.22570000       1.60561000       2.58673000      -0.52308688      -0.08856386       0.25074419
O        0.17025000       3.42508000      11.95535000       0.54410713       0.77632623       0.44436233
O       -2.78800000       4.95435000       7.22735000       2.29447805       0.82013785       2.84196774
O        2.92831000       1.62295000      16.80805000      -0.99051615       0.54201573      -0.79395650
O       -0.19774000       3.54949000      26.50676000       1.90276994       0.25931684       0.37657674
O        0.29950000       0.00321000       0.58979000      -1.18926670      -1.62366090       0.10058871
O        3.07660000       1.72638000      10.01975000       1.22651678       0.45976315      -0.32112479
O       -0.23248000       3.59535000      19.41187000       0.41141264      -1.05240297       1.88633653
O       -0.21583000       1.45475000      16.87185000       1.81811503       0.39288574       0.72372744
O        1.55115000       4.20486000      16.90804000      -0.76435009       0.24472741      -0.30318615
O       -1.78171000       4.34566000      17.08068000       0.98950521      -0.65635179      -3.11190933
O        2.61752000       3.30383000      26.63876000       0.59175943       0.92543279      -0.55797653
O        1.32858000       1.12615000      26.66402000       1.17095572      -0.72415740      -0.98838068
O        4.15743000       0.93960000      26.68238000       0.50292892       0.67033572      -0.96082780
O        0.11432000       4.90941000       7.37132000       0.51651099      -0.07391521       0.43394939
O       -1.12420000       2.51433000       7.28295000      -0.77854344      -0.70237076       1.96010020
O        1.46957000       2.53185000       7.49593000       1.08673220      -0.38334683      -0.25355227
Zn       5.73402000       0.04162000      27.44452000       0.02730638       0.08648811      -2.35587872
Zn       3.13372000       1.64948000       8.14936000       0.15247590      -0.22942633      -1.34637405
Zn      -0.20635000       3.29567000      17.48300000       0.65229448       0.44315534       0.20678157
Zn       5.77751000       0.09711000      23.67882000      -0.54981806      -0.22987028       0.31445286
Zn       3.08529000       1.67606000       4.60230000      -0.74909439      -0.23438989      -0.84755655
Zn       0.06048000       3.41391000      13.84772000      -1.44839160       0.44478370       0.38701244
Zn       0.13821000       0.10769000      13.36458000      -0.43560078      -0.39233083      -0.84755038
Zn       2.84690000       2.08922000      22.91400000      -0.43851972      -1.11308573      -0.16490110
Zn       0.13468000       3.28899000       3.75836000       0.03509564       0.74647735       0.25335211
Zn       0.15581000       0.00894000       9.27957000      -0.41000019       0.31235017      -0.46408547
Zn       2.86024000       1.56135000      18.76377000       0.10371688       0.69304630       0.30864889
Zn      -0.04280000       3.30590000      28.39927000       2.38118827       1.21911744       0.69919207
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.9848689 magmom=71.9983506 free_energy=-551.9848689 stress="-0.0366036092704418 0.0013581119470545704 -0.0005421500530735994 0.0013581119470545704 -0.02422862780922187 -0.0027517040023955896 -0.0005421500530735994 -0.0027517040023955896 -0.0446470503197596" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30881000       0.84231000      15.76237000       1.74293730       0.11929773      -0.80701848
Cr       4.38992000       0.79396000      15.70474000      -0.04968864      -1.02243250       0.83774628
Cr       2.91345000       3.34703000      15.71838000      -0.75606736       2.61151615      -1.06377283
Cr       4.14592000       2.75517000      25.66283000       1.88552488       0.60102344      -3.36110291
Cr       1.26528000       2.53607000      25.41341000      -0.78428382       1.43273235      -1.14745734
Cr       2.82623000       0.17616000      25.41391000      -0.74015424      -0.26327658      -0.30863452
Cr       1.64685000       4.20787000       6.42297000       1.88405358      -0.63218371      -1.05142794
Cr      -1.16152000       4.14077000       6.16431000      -1.19553841      -0.35515254       1.40147782
Cr       0.22385000       1.65557000       6.30079000      -0.30782825      -0.17044395       0.33760776
Cr       2.79862000       4.94824000      18.34917000      -0.42051828       2.58363060      -4.65355564
Cr       2.80936000       1.77543000      27.86380000      -1.71256159      -1.44541493      -1.41578548
Cr       0.11541000       3.34543000       8.71407000       0.89311695      -0.18646118      -1.35770138
Cr      -2.88298000       5.06531000       4.02980000       0.69321465      -0.53584358      -2.16677313
Cr       3.11008000       1.65351000      13.27005000      -1.34617104      -0.98230883       2.10638281
Cr      -0.19713000       3.54490000      23.06999000      -0.41356119      -0.33913303      -1.98040703
Cr      -0.19573000       1.74488000      20.65954000      -1.02380109       1.11064003      -0.75587512
Cr       1.16908000       4.34903000      20.66146000       2.59442088       0.58663157       0.71277558
Cr      -1.68063000       4.44329000      20.64284000      -0.04601867      -1.32197971       0.59081568
Cr       2.99406000       3.25720000       1.49128000       0.31240817       1.54603711       3.35138015
Cr       1.79984000       0.69755000       1.66761000      -6.17313489      -0.64062301       0.57996213
Cr       4.63338000       0.78412000       1.46966000       0.58561449      -1.13077635       2.24198113
Cr       3.22797000       0.07253000      11.00209000      -1.60785365      -0.89103557      -0.38043864
Cr      -1.34088000       2.69863000      11.07936000       3.50564613      -1.77315702      -2.23693440
Cr       1.73208000       2.60358000      11.08659000      -2.73911446      -0.45620826      -2.00255204
O        1.17311000       0.90763000      19.47396000      -0.67758431      -0.66554484      -0.12706862
O        4.42932000       0.88602000      19.30154000       0.39162599      -0.81248476       1.75266449
O        2.66928000       3.58887000      19.58249000       0.64988762      -1.41009120       0.17809251
O        4.32570000       2.28209000       0.28362000       0.14966580       1.41272687       0.50350272
O        1.52107000       2.60925000       0.47982000       0.89874116      -1.99501504      -0.32643429
O        3.01877000       0.05875000       0.48264000       1.69964010       0.31981187      -2.05564882
O        1.41927000       4.27239000       9.78298000       2.21494362      -0.49992737       0.43383510
O       -1.15710000       4.24576000       9.81004000      -0.45612825       0.06307524       1.04348023
O        0.17691000       1.86119000       9.90597000       0.06684520      -0.25778563       0.66405078
O        1.70789000       0.83513000      12.04563000       0.66755312       0.90568496       0.91239004
O        4.56521000       0.82744000      12.18664000      -0.40913645       1.31145313       0.02029723
O        3.20152000       3.27700000      12.12281000      -1.49304112       1.22348897       2.49886821
O        4.27613000       2.77522000      21.62331000       0.65846039      -0.43420715       1.71794234
O        1.03040000       2.66967000      21.78568000       1.31609496       0.78750198       0.96793466
O        2.73896000       0.03690000      21.76817000      -0.21951223       0.19285829       1.08289314
O        1.65681000       4.34205000       2.74823000       0.33198293      -0.53639396      -0.15407125
O       -1.66735000       4.20266000       2.67916000       2.08252905      -0.33382883       1.04696914
O        0.23665000       1.58251000       2.68867000      -0.69351057      -1.20244264       0.10068634
O        1.57403000       0.74157000       5.24524000      -0.57406373      -0.64295105      -1.22223862
O        4.68188000       0.66858000       5.28062000      -0.08377932       0.98879850      -0.39807311
O        3.14118000       3.47161000       5.25614000      -0.34134434      -0.11984511      -0.93292686
O        4.30636000       2.39351000      14.64077000       0.89050036       1.01746460      -1.11770999
O        1.70173000       2.40007000      14.52092000      -1.32341858       0.22878226      -0.42864091
O        2.80089000       0.02820000      14.64944000       0.65418857       1.62915789      -0.30205168
O        1.16373000       4.24651000      24.31400000      -0.14135325       0.17869214      -0.01569250
O       -1.52923000       4.35837000      24.24399000       0.26368290      -0.40093396       1.67005590
O       -0.13083000       1.95186000      24.20248000      -1.26488108      -0.45871918       0.98308154
O        5.61907000       0.02752000      21.70545000       0.38147890       0.72432221      -0.19308905
O        3.13057000       1.52075000       2.57201000       1.60671571       1.73903538       0.74257218
O        0.21804000       3.44236000      11.97103000      -0.13421987       0.45485927       1.35307310
O        0.21701000       0.00406000       7.39083000       0.18709712      -0.69877307      -4.61624363
O        3.12136000       1.84985000      16.68454000      -2.04345724      -2.76273943       2.94609903
O       -0.10116000       3.63491000      26.43452000      -0.98046707      -1.10184037       0.71348517
O       -2.70395000       4.89124000       0.56569000      -0.46515524       1.68458052      -0.77271555
O        3.16729000       1.81523000      10.02295000       0.05341937      -0.41698294      -0.17102625
O       -0.13634000       3.59335000      19.63837000      -2.20579022      -1.48292850      -1.90765129
O       -0.10012000       1.48041000      16.94161000       0.00412087      -0.03621276       0.03613994
O        1.34099000       4.29120000      16.83137000       1.87084376      -0.41556967       0.55078275
O       -1.77085000       4.35178000      16.84612000       0.42715486      -0.45524247       1.53045432
O        2.53474000       3.37125000      26.54499000       1.96199164      -0.06336613       1.52488612
O        1.32375000       1.02381000      26.56882000       1.22443887      -0.67416276       0.56091501
O        4.16535000       1.06153000      26.61933000      -0.73146866      -0.01438813      -0.54389312
O        0.18383000       4.82621000       7.37924000      -0.74872866       1.44465718       0.76884916
O       -1.08140000       2.51448000       7.39624000      -1.36935009       0.35065739      -0.19140707
O        1.55163000       2.55006000       7.39733000       0.09640122      -0.17485046       0.80440253
Zn       5.64233000       0.09615000      27.38352000       0.52137926      -0.24243052      -0.87999972
Zn       3.12544000       1.60179000       8.14301000       0.23598423       0.08287456      -1.00801707
Zn      -0.17541000       3.32602000      17.61623000      -0.12281097       0.18944648      -0.14311315
Zn       5.67554000       0.01224000      23.66759000       0.15595725       1.04005183      -0.52096125
Zn       3.09687000       1.58486000       4.51033000       0.65423956       0.72630963       0.38909740
Zn      -0.01922000       3.41471000      13.93329000       0.57004123      -0.91052082       0.05192488
Zn       0.10645000       0.03342000      13.29600000       0.38427821      -0.06295068      -0.18719951
Zn       2.96791000       2.04548000      22.84633000      -1.14354623      -0.95406150      -0.23614489
Zn       0.08396000       3.20134000       3.76793000       0.09980819       0.84485705      -0.03335706
Zn       0.19836000       0.00778000       9.10600000      -0.40806878       0.41472423       4.60923908
Zn       2.78994000       1.55689000      18.75193000      -0.11259786       1.42982495      -0.60605720
Zn      -0.06736000       3.36492000      28.42431000      -0.00891935       0.40641530      -0.53792508
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.56906784 magmom=72.0000223 free_energy=-551.56906784 stress="-0.03203497833738956 -0.0025196545609211776 0.006248163242452926 -0.0025196545609211776 -0.044396518846020104 0.011249949859460588 0.006248163242452926 0.011249949859460588 -0.04922771571876878" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40261000       0.88194000      15.79786000       1.29698001      -0.20721661      -0.32694071
Cr       4.41709000       0.70857000      15.72098000       0.45284640       2.62678206       1.18351765
Cr       2.96788000       3.45215000      15.70628000      -0.86520600      -1.85412346      -0.13905524
Cr       4.10902000       2.71906000      25.46961000       2.86482213       1.59361513      -2.17597646
Cr       1.25064000       2.55566000      25.57236000       0.04316078       1.67603429      -1.97247108
Cr       2.74291000       0.24551000      25.33570000       2.95709720      -1.64048469      -0.38198197
Cr       1.65294000       4.21116000       6.34812000       1.02534258      -0.09351624      -0.51332079
Cr      -1.19458000       4.20810000       6.19082000      -0.26266594      -1.33139475       1.03720119
Cr       0.19515000       1.77693000       6.30537000       0.48129328      -0.67008046      -0.88596623
Cr       2.74790000       5.05465000      18.23784000       0.03794935       0.72909710       0.39491168
Cr       2.69709000       1.70265000      27.81953000       3.83673171      -0.57760687      -1.94873460
Cr       0.16425000       3.34703000       8.73515000       0.42734993       0.86479200      -0.56543933
Cr      -2.81876000       4.96309000       3.97288000       0.45089444      -0.32134804      -0.64236717
Cr       3.10238000       1.58970000      13.41158000       0.17934524       3.27237178      -1.67053557
Cr      -0.15337000       3.61135000      23.06093000      -0.82843486      -1.03205212       0.43200447
Cr      -0.28701000       1.81386000      20.67548000       1.66685438       0.35258463       1.23446726
Cr       1.23952000       4.35645000      20.74115000      -0.53265193      -0.20222399      -1.91804957
Cr      -1.66017000       4.41957000      20.65105000      -0.96118745      -0.81014395       0.14239472
Cr       2.86500000       3.27118000       1.52325000       1.91292735       0.67878383       0.00052030
Cr       1.73380000       0.62914000       1.64327000      -1.74826108       0.45110675      -1.50118473
Cr       4.63425000       0.81591000       1.58898000      -1.63062073      -1.47584781      -1.91461550
Cr       3.23481000       0.02259000      10.94193000      -0.33220644       1.28161394       1.98229382
Cr      -1.21380000       2.47167000      11.10604000      -0.70875516       4.02504042       0.61938591
Cr       1.67322000       2.67384000      11.12249000       1.73190881      -2.31160330       0.62339363
O        1.03676000       0.86457000      19.56457000       1.06474964      -0.15335810      -1.76003413
O        4.39729000       1.05395000      19.53690000      -1.56185519      -2.86746676      -1.95156529
O        2.45034000       3.51218000      19.48553000       1.76719240       0.61735461      -0.56654271
O        4.30863000       2.25902000       0.38063000      -0.03894764       2.23252538      -0.55329748
O        1.48986000       2.37238000       0.38335000      -0.85444969       0.24065271       2.43230129
O        3.17879000       0.11953000       0.26434000      -0.95820396       0.10032935       1.57457506
O        1.69176000       4.10588000       9.87487000      -1.01944841       1.39120815      -1.07326348
O       -1.10496000       4.29554000       9.95779000      -0.51412112      -1.10647842      -1.27921178
O        0.16595000       1.88059000       9.94312000       1.02363478      -1.30139004      -0.36143492
O        1.89353000       0.93526000      12.12363000      -1.44449918      -0.52150117      -0.38354590
O        4.53714000       0.98647000      12.18726000       0.56276549      -1.82420247       0.80557198
O        3.07618000       3.35100000      12.31746000       0.98945723      -0.96165743      -0.77573722
O       -1.57215000       2.81091000      21.76883000       0.25242318       0.29124742       0.88003753
O        1.01211000       2.79389000      21.87324000       2.13043696      -1.03722069      -0.50620830
O        2.75370000       0.05121000      21.77996000      -0.15367619       0.50275526       0.68776154
O        1.68746000       4.26256000       2.70643000      -0.86453261      -0.61284845       1.18188389
O       -1.52729000       4.16574000       2.65709000       0.86148618      -1.23234776       1.05614999
O        0.13755000       1.25230000       2.67617000       1.93868978       3.13446250       1.80103249
O        1.68667000       0.74954000       5.27613000      -1.42223189       0.33397504      -1.67636034
O        4.81469000       0.72262000       5.24806000      -1.40570801       0.58003621      -1.08385061
O        3.11334000       3.44300000       5.18199000       0.26533763      -0.37512339       0.02924473
O        4.39064000       2.44928000      14.69711000      -0.65020573      -0.35287483       0.48561306
O        1.71425000       2.31786000      14.53165000      -1.65632971       2.27770641       0.68224513
O        2.91334000       0.27481000      14.64128000      -0.04415144      -4.36007806       0.82962780
O        1.20831000       4.22486000      24.34529000      -0.54844719       0.02238195       0.43269893
O       -1.37985000       4.51586000      24.23534000      -3.39084729      -1.53591086      -0.56135729
O       -0.09553000       1.95841000      24.34854000      -1.62835295      -0.36093534      -0.67064249
O        5.68935000       0.07411000      21.56828000      -0.19454214       0.22540140       2.73715015
O        3.18049000       1.67409000       2.56495000      -1.15189760      -0.99531665       0.27683026
O        0.25487000       3.54183000      12.13793000      -0.47176811      -0.66457947      -0.74465930
O        0.32920000       0.02809000       7.03240000      -1.24168851      -0.74977481       3.95119262
O        2.92678000       1.70322000      16.86784000       0.15113825      -0.07897856      -1.69933751
O       -0.16614000       3.53927000      26.41036000      -0.82656773       0.13249623       0.96674264
O       -2.83363000       4.94684000       0.57678000       0.33040191       0.73493014      -1.05762645
O        3.27142000       1.80766000      10.02997000      -1.15833235      -0.71682575      -0.69271636
O       -0.32083000       3.41233000      19.65973000       0.86465432       1.88195245      -1.15762172
O        0.03030000       1.47288000      16.97297000      -1.33508412       0.63163185       0.03275282
O        1.50143000       4.30667000      16.82979000       0.02755820      -1.20124219       0.72405724
O       -1.66944000       4.32203000      16.80875000       0.25091020       0.13820199       1.82993071
O        2.75814000       3.39846000      26.64566000      -0.98200792      -0.56821488       0.32712686
O        1.49919000       0.86835000      26.52313000      -2.59372327       1.18522122       1.75441799
O        4.06426000       1.13536000      26.42669000       0.80900638      -1.12822017       1.55858695
O        0.17287000       4.89003000       7.47446000       0.36740130      -0.48874770      -0.75440337
O       -1.19908000       2.60720000       7.49257000       0.67640394       0.05149006      -0.99608357
O        1.58752000       2.57403000       7.41262000      -0.77596274       0.36088802       0.50932197
Zn       5.56656000       0.14243000      27.24684000       0.41625912       0.02818744      -0.05379322
Zn       3.12927000       1.56102000       8.08308000       0.10108752       1.02969834       0.43178914
Zn      -0.14553000       3.36647000      17.74263000       0.21353208      -0.27574375      -0.75506609
Zn       2.65125000       5.09683000      23.63584000       1.81984913       1.42287726      -0.59095378
Zn       3.14063000       1.53358000       4.43061000       0.92122304       0.76730168       0.84308350
Zn      -0.07471000       3.37751000      14.02111000       1.57669674       0.62100299       0.06263997
Zn      -2.86018000       5.06747000      13.22720000       0.24512117       0.36339115       0.07737340
Zn       3.02478000       1.94801000      22.78587000      -1.82404192      -0.87655716       0.60941083
Zn       0.03754000       3.16452000       3.78769000       0.27547454       0.43951067      -0.53301199
Zn       0.22224000       0.02689000       9.09496000       0.48059501      -0.13753751       0.66670465
Zn       2.71858000       1.62632000      18.72297000      -0.42229997       0.71368361       1.50918542
Zn      -0.07328000       3.44179000      28.42462000      -0.74507550      -0.99154873      -0.60216688
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.30553589 magmom=71.9988566 free_energy=-552.30553589 stress="-0.023483123178525415 0.0006685704722523936 -0.0038456380588823536 0.0006685704722523936 -0.026414428309950284 0.0027256664672958885 -0.0038456380588823536 0.0027256664672958885 -0.03859321963462769" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53005000       0.89120000      15.80858000      -3.30849397      -2.37735470      -1.49163053
Cr       4.46563000       0.74355000      15.83761000      -0.78835748       0.32985766      -0.49284653
Cr       2.97437000       3.47674000      15.71550000       0.21803467      -0.65420736       1.31981707
Cr       4.20357000       2.74977000      25.22301000      -2.38703389      -0.81540287       3.39084632
Cr       1.24122000       2.65605000      25.65884000      -0.77131756      -0.49387024      -1.26591413
Cr       2.76438000       0.22979000      25.28625000      -1.81758316      -0.96917707       0.99718161
Cr       1.71716000       4.20097000       6.25113000      -0.67517711       0.55047604      -0.08677269
Cr      -1.24660000       4.21241000       6.26881000      -0.63094997       0.87475126      -1.25376018
Cr       0.18954000       1.83308000       6.26349000       0.08736672      -2.54700505      -1.33776424
Cr       5.65944000       0.08131000      18.15355000       1.36809818      -1.86206227       1.72105004
Cr       2.75484000       1.65414000      27.72149000       1.60643150       1.08004016       2.85565194
Cr       0.22926000       3.38959000       8.71388000       0.01429963      -0.27529286       0.35452967
Cr      -2.73938000       4.85520000       3.87349000      -0.08490450       1.55307455       1.18114837
Cr       3.07814000       1.66362000      13.48662000      -0.18762515      -0.60298545      -0.02412023
Cr      -0.14233000       3.60676000      23.06835000       0.87872138      -0.61715713       1.34098841
Cr      -0.29967000       1.88371000      20.71706000       1.46724594      -1.82195248      -0.50182375
Cr       1.31145000       4.35913000      20.70743000      -0.95689874      -0.23508755      -0.45646821
Cr      -1.71301000       4.36910000      20.64633000      -0.84042632       1.05802280       0.49638242
Cr       2.85579000       3.28780000       1.54340000       0.78275805      -0.26213789      -0.48716803
Cr       1.55309000       0.59512000       1.53158000       1.36971413       0.35514597       1.35876676
Cr       4.58029000       0.77007000       1.63979000      -0.86004761       1.41746461      -0.58434240
Cr       3.19460000       0.03266000      10.99222000       0.19443716      -0.51950673       1.03672558
Cr      -1.12396000       2.45599000      11.13759000      -2.02013869       1.49574935      -0.61294384
Cr       1.70360000       2.61879000      11.16212000       1.08571358      -0.67976693      -1.39748399
O        1.04618000       0.79700000      19.41564000      -0.17929482       0.89157337       1.28100676
O        4.25687000       0.74706000      19.51177000       0.30279563       1.78829234      -0.50054619
O        2.56726000       3.56709000      19.35445000       1.00787294       0.67440303       1.47675105
O        4.21950000       2.58140000       0.37328000      -0.23901930      -1.66640112      -0.14967723
O        1.40810000       2.19381000       0.59421000       0.86078518       2.75328753      -2.06387260
O        3.20579000       0.20254000       0.29790000      -1.01672202      -1.55305110       0.61872428
O        1.72602000       4.12262000       9.86240000      -1.46735476       0.54278380       0.53866266
O       -1.06630000       4.14419000       9.93192000      -0.64002875       0.15965005       0.11538154
O        0.29287000       1.78047000       9.97548000      -0.06150681       0.72897938      -0.16684871
O        1.88437000       0.97750000      12.16653000      -1.37456452      -1.32182371       0.46413892
O        4.53022000       0.92269000      12.29486000       0.06102099      -0.36406956       0.20031102
O        3.12001000       3.21428000      12.36416000       1.10866457       0.82453882      -0.70638407
O       -1.43065000       2.87586000      21.98952000      -1.92904965      -1.23760774      -2.36628436
O        1.29284000       2.81718000      21.88569000      -0.95726507      -0.72492007      -0.12400672
O        2.73089000       0.04188000      21.87069000       0.46343353      -0.15639735      -0.97307539
O        1.66430000       4.13109000       2.81727000      -0.19880223       0.96777202      -0.60103519
O       -1.30707000       4.03021000       2.77221000      -1.95864221       0.98147985      -1.48341065
O        0.24994000       1.36678000       2.84949000      -0.91913944      -0.16897347      -1.59692170
O        1.47897000       0.72360000       5.07083000       0.99720234       0.07773158       0.78888054
O        4.78657000       0.82705000       5.07673000       0.78881967      -1.41846721       1.07416545
O        3.13360000       3.41817000       5.14207000       0.26809376      -0.58601794       0.84688969
O        4.31153000       2.43675000      14.80838000       0.61438935      -0.26054407      -0.60818897
O        1.53577000       2.55623000      14.67505000       2.12046004      -1.56050943       0.02214272
O        0.10528000       5.09960000      14.70471000      -0.74489956       2.51724276       0.35075503
O        1.08888000       4.19400000      24.43438000       1.77615028       1.00707774      -0.76450503
O       -1.65349000       4.40125000      24.23510000       1.70977783      -0.11802793      -0.02688155
O       -0.29052000       1.95736000      24.37231000       2.20721396      -0.50386252      -1.77362588
O        5.70585000       0.16783000      21.76349000      -0.27921380      -0.05599934      -2.15839478
O        3.05727000       1.65253000       2.51541000      -0.35882147      -1.16807077       0.29044681
O        0.22068000       3.49867000      12.11824000       0.02626399      -0.63101038       0.36624717
O       -2.72914000       5.06215000       7.25069000      -0.05708879       0.76404495      -0.24346995
O        2.81191000       1.53598000      16.80745000       3.45403351       2.13183219       1.90699284
O       -0.34493000       3.44849000      26.45549000       0.99283481       0.97161663      -0.14612999
O        0.01874000       0.04677000       0.44221000      -0.11554835      -1.70700384       0.88336396
O        3.20660000       1.68132000      10.01267000       0.30972799       0.75661628      -0.00235698
O       -0.38929000       3.48668000      19.61023000       1.43390380      -0.09014402       1.43635932
O       -0.04131000       1.56082000      16.95044000       0.29476586       0.58197953      -0.33235700
O        1.65719000       4.16174000      16.90784000      -1.81237582       1.03177437       0.03656971
O       -1.60610000       4.34538000      17.05408000      -1.17105560       0.64005703      -1.13194174
O        2.83894000       3.30177000      26.71418000      -1.67649804       0.67248539      -1.77881210
O        1.34281000       0.87041000      26.63556000       1.04564936       1.37025699      -1.52440788
O        4.07511000       1.05972000      26.39811000      -0.36921466       0.55530994      -0.63103099
O        0.20823000       4.85904000       7.40960000       0.29267652       1.06587391      -0.25255838
O       -1.14537000       2.69806000       7.40033000      -0.48081955      -1.41697136       0.94248537
O        1.46961000       2.66224000       7.47409000       1.82344521      -1.04649881      -0.89505696
Zn       5.52493000       0.17695000      27.12507000       0.87044165      -1.21311738       0.90639647
Zn       3.13863000       1.57395000       8.03714000       0.04038226       0.97949181       0.12730669
Zn      -0.10119000       3.39051000      17.80209000       0.58072183      -0.05093375      -2.12635733
Zn       5.61338000       0.03554000      23.58799000      -0.75521266       0.75010979       1.57238790
Zn       3.21971000       1.52783000       4.40065000      -1.56451044       0.39784219       0.42945318
Zn      -0.05467000       3.36736000      14.10225000      -0.35094388      -0.63229468      -1.00705549
Zn      -2.85991000       5.01363000      13.17825000       0.37683018       0.36294794       0.36950271
Zn       2.98663000       1.81534000      22.77110000      -1.20151888       0.03790519       0.69824807
Zn       0.01441000       3.15107000       3.79846000       1.23951246      -0.02416258       0.35435612
Zn       0.26440000       0.03687000       9.13035000       0.36546181      -0.61738030       1.15350086
Zn       2.63197000       1.72820000      18.75322000       0.42019499      -0.22650817       0.28028407
Zn      -0.10908000       3.46961000      28.40270000       0.28171799      -0.44580361       0.54343344
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.42712734 magmom=71.9978697 free_energy=-553.42712734 stress="-0.04254207942190939 -0.005208714483571124 -0.00032028317810790016 -0.005208714483571124 -0.03019965754202572 -0.01095976008015408 -0.00032028317810790016 -0.01095976008015408 -0.03364420047090978" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51025000       0.79196000      15.80354000      -0.09286954       1.59245994       0.69286834
Cr       4.49712000       0.78704000      16.00560000      -1.52357840       0.10186962      -3.75753539
Cr       2.98915000       3.46737000      15.83324000       0.36006361      -0.93310062       0.70872906
Cr       4.18954000       2.70006000      25.18246000      -1.13119995      -1.61736447       1.46089930
Cr       1.21288000       2.71981000      25.69185000      -2.20922532       0.01526350      -4.96499549
Cr       2.70296000       0.17631000      25.33151000      -1.09802079      -0.46591867      -0.88290392
Cr       1.74067000       4.21082000       6.17187000      -1.52093673      -0.80842356       1.44112307
Cr      -1.31495000       4.23831000       6.29877000       0.77897712      -0.08332657       0.22369758
Cr       0.19222000       1.74518000       6.15825000       0.34320244      -0.66706857       0.91062581
Cr       5.66938000       0.13451000      18.13137000       0.96268544      -0.46722149       3.07946340
Cr       2.86182000       1.69009000      27.73061000      -0.83245955       0.75130300       1.38637398
Cr       0.29705000       3.41323000       8.69474000      -0.47130432      -0.90234279      -1.31938822
Cr      -2.68100000       4.83767000       3.83993000      -1.76857227       1.98981793       1.21223167
Cr       3.04764000       1.71632000      13.53406000       0.06825188      -2.21817389      -0.36933557
Cr      -0.10379000       3.55327000      23.10532000       0.18767942      -0.03864763      -2.87695164
Cr      -0.22013000       1.85296000      20.72191000       0.32964115       0.44405487      -1.03404348
Cr       1.32847000       4.35332000      20.63420000      -1.04660007       0.25745804       0.59973145
Cr      -1.79280000       4.38324000      20.66200000       3.73592387       0.54057954       1.37245165
Cr       2.88291000       3.27077000       1.52190000      -0.60169779       0.80523383       1.63482326
Cr       1.45309000       0.63262000       1.44682000       0.74906698       1.30529510       1.24894874
Cr       4.46325000       0.78746000       1.63281000       0.29869213      -0.21589580       0.05762159
Cr       3.15274000       0.01954000      11.12172000      -0.26848638      -1.41968895       0.33136617
Cr      -1.15977000       2.53646000      11.12927000      -0.26928961      -2.43949121      -0.93379853
Cr       1.80155000       2.51150000      11.13885000      -1.46856582       0.87189480      -0.75313167
O        1.02853000       0.87545000      19.46781000       0.22117183       0.95220370      -0.06762126
O        4.18441000       0.71060000      19.35210000       0.80642433       1.55487691       0.27215764
O        2.85633000       3.75791000      19.47642000      -2.07282539      -1.99966703      -1.57180790
O        4.12647000       2.54422000       0.32678000       1.60745317      -1.64531600      -0.65380050
O        1.47504000       2.46168000       0.52923000      -0.33037316      -1.08900302      -1.97331959
O        3.05210000       0.08516000       0.46116000      -0.28940165       0.75286417      -1.82240573
O        1.46714000       4.24683000       9.94161000       2.43396216      -0.00124406       0.27703244
O       -1.10138000       4.02519000       9.90353000      -0.47119703       1.58488030       0.01435726
O        0.39486000       1.85817000       9.96866000      -0.88130660      -0.44763521      -0.59707095
O        1.68330000       0.83187000      12.24110000       0.89178755       0.61358251       0.23948878
O        4.46272000       0.79945000      12.40971000      -0.16269045       0.77437196      -0.77545354
O        3.32885000       3.14209000      12.23243000      -1.42835053       1.47209567       0.95824514
O       -1.50415000       2.78460000      21.82881000      -0.54937567      -0.26549008       0.77934440
O        1.34891000       2.74334000      21.85538000      -1.14242993      -0.20224867       0.14338098
O       -0.16131000       5.03974000      21.80156000      -0.07033626       0.79512235       0.55276935
O        1.68404000       4.21851000       2.80606000      -0.54762145      -0.07897011      -0.52224653
O       -1.48071000       4.08181000       2.63477000       0.71369751      -0.80481931      -1.08945707
O        0.20432000       1.41956000       2.72719000      -1.54967514      -0.29401938      -0.14543327
O        1.44722000       0.70272000       5.02044000       1.95559106       0.04328193       0.98447554
O        4.87330000       0.67345000       5.09168000      -1.30647507       0.58249459      -0.89406450
O        3.20399000       3.36596000       5.24215000       0.11081285      -0.32043525      -1.28894908
O        4.28510000       2.36419000      14.81883000       1.84245304       1.39507776      -0.45361642
O        1.72588000       2.50744000      14.79907000      -1.40772673      -0.40569645      -1.71378133
O        3.03397000       0.10782000      14.83909000      -0.28131590      -0.75856142      -0.98650301
O        1.19414000       4.32004000      24.41959000      -0.52999298      -0.42192221      -0.06672546
O       -1.63428000       4.26022000      24.19662000       0.68278544       1.85323962      -0.43703585
O       -0.18494000       1.96909000      24.15394000       0.21415743      -0.11404533       1.77475543
O        5.64643000       0.20914000      21.61753000       0.15637409      -1.02658731       1.74030910
O        2.87661000       1.45663000       2.48029000       0.82323771       1.50796456       1.33217888
O        0.23043000       3.33800000      12.10061000       0.81233723       0.80798801       1.64243141
O       -2.88608000       5.10563000       7.35599000       1.38628191       0.13784330      -1.18573899
O        3.11904000       1.68963000      16.86255000      -2.39108171       0.79525912       1.50729967
O       -0.34635000       3.52376000      26.42827000      -0.09775537       0.57057351       0.43195940
O        2.86473000       5.04888000       0.52744000      -0.07584366      -0.52157185      -1.62247115
O        3.18802000       1.65732000      10.04217000       0.44911675       0.24027419      -0.30913426
O       -0.19200000       3.56530000      19.80254000      -0.56775594      -0.91041086      -2.81745785
O       -0.01824000       1.73586000      16.85376000       1.00131718      -1.11812774       0.90410905
O        1.53142000       4.17151000      16.95799000       0.52580068       0.95024242       0.14026203
O       -1.75272000       4.47414000      17.05391000       1.35707185      -0.91999087       0.00940870
O        2.68508000       3.30495000      26.49075000       2.51575539       1.23566530       1.77920491
O        1.33314000       1.07134000      26.50449000       0.28850012      -1.78348381       1.20284242
O        4.05725000       1.09403000      26.28995000       0.57288846      -0.29130617       1.29992056
O        0.26878000       4.91914000       7.26060000      -0.69364951       0.28093073       0.76313026
O       -1.08343000       2.59634000       7.38770000      -0.20445236       0.33431554       0.22484042
O        1.57183000       2.60989000       7.34302000      -0.09839559      -0.11072295       0.00424690
Zn       5.53425000       0.15256000      27.04808000       1.07707807      -0.72028658       0.96807943
Zn       3.15171000       1.64049000       8.00564000       0.39629210       0.15991694       0.26465829
Zn      -0.03712000       3.41592000      17.76463000      -1.04867774       0.68917965       0.66336153
Zn       5.60422000       0.12372000      23.60110000       0.50730121       0.04944860      -0.58107735
Zn       3.22952000       1.53974000       4.40222000      -0.63178968      -0.26552130       0.45996013
Zn      -0.02854000       3.33820000      14.13887000       0.52766922       0.10815978      -0.23130769
Zn      -2.83566000       4.98156000      13.16505000       0.34761044       0.21013491       0.52228639
Zn       2.88134000       1.68463000      22.79808000      -0.32677410       0.46703049      -0.22426242
Zn       0.04863000       3.14682000       3.82701000       0.59623957       0.52650302      -0.60165462
Zn       0.32427000       0.01617000       9.24238000      -0.56038952      -0.21290523       1.01257304
Zn       2.57247000       1.82103000      18.81531000       1.16413890      -0.04666803       0.07317448
Zn      -0.13275000       3.46297000      28.40075000       0.22097434      -1.06743128       0.22128120
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.3837477 magmom=72.0023561 free_energy=-551.3837477 stress="-0.04169095946278834 0.0018139815562586445 0.005802485187530707 0.0018139815562586445 -0.042704006375924274 -0.0025562026538341557 0.005802485187530707 -0.0025562026538341557 -0.041697709667391" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44670000       0.76628000      15.84103000       0.87698826       1.76770515      -0.96232071
Cr       4.49077000       0.83276000      16.10975000      -2.10751628       3.35257223      -5.03805515
Cr       3.00332000       3.41936000      16.01088000      -0.32259091       0.27511120      -3.13727733
Cr       4.08534000       2.57611000      25.25426000       1.54292278       2.14488672      -1.33463051
Cr       1.13613000       2.76268000      25.51824000       2.58508528      -0.22456196       0.14823250
Cr       2.58674000       0.12993000      25.38116000       2.14647786       1.20315476      -1.00682863
Cr       1.67119000       4.17023000       6.17804000       0.15126376      -0.21554242      -0.77527842
Cr      -1.32750000       4.24843000       6.33644000       1.57477912      -1.76716337      -0.48713431
Cr       0.21443000       1.61794000       6.09448000       0.13361152       1.52626652       0.61626625
Cr       5.68485000       0.18273000      18.15860000       2.73304382      -0.88772527       3.86659919
Cr       2.87456000       1.76533000      27.79831000      -0.44924984      -0.93831431      -3.57380935
Cr       0.34314000       3.39753000       8.62111000      -0.57246731       0.73601440       0.36175583
Cr      -2.70874000       4.93499000       3.84981000      -0.26362194      -0.16191566      -1.46566740
Cr       3.04477000       1.64668000      13.55657000       1.35100676       0.76793213      -0.41575007
Cr      -0.05458000       3.49551000      22.99383000      -1.71069693       0.38641182       0.47497518
Cr      -0.13814000       1.83171000      20.67713000      -3.35716263       0.18860841      -0.60597099
Cr       1.29019000       4.36821000      20.57762000       0.82341526       0.22225391      -0.65808239
Cr      -1.68906000       4.41864000      20.73473000       0.40861746      -1.35136031      -1.68298884
Cr       2.85633000       3.26234000       1.52904000      -0.60380183       0.36600545      -1.35243899
Cr       1.40340000       0.75581000       1.40052000      -1.69588387      -0.46727201      -0.15298009
Cr       4.34060000       0.77762000       1.59683000      -0.01235187      -1.87339442      -2.20363660
Cr       0.15631000       5.03024000      11.27382000       0.31702279      -0.62653940      -1.41787576
Cr      -1.21833000       2.50798000      11.08163000       0.77495654      -0.70412161       1.14851255
Cr       1.81265000       2.45609000      11.07131000      -1.57252390       2.07042103       1.47436275
O        1.06249000       1.03454000      19.52816000       1.12195033      -2.19702808      -0.88403849
O        4.31195000       0.95239000      19.26869000       0.34041150      -0.81284489       1.71020990
O        2.85445000       3.70848000      19.42783000      -0.69977147       1.39961822       0.57834656
O        4.32910000       2.21377000       0.25836000      -0.06138533       1.44984147       1.54148058
O        1.55108000       2.61268000       0.16361000      -0.91203037      -1.33568260       2.55112222
O        2.85140000       0.12289000       0.35479000       0.47176032       0.43199150      -0.43602294
O        1.54330000       4.31014000      10.05635000       0.92524069      -1.26989252      -1.19436773
O       -1.12776000       4.11478000       9.92112000       1.47573314      -0.46401873      -0.20855590
O        0.34041000       1.92867000       9.87662000      -0.23771948      -1.27267162      -0.01764421
O        1.69321000       0.81930000      12.32424000       0.35526391       0.50636723      -0.72911209
O        4.33697000       0.84521000      12.34955000       2.16831789       0.27598988      -0.02833237
O        3.29690000       3.26315000      12.21315000      -1.01650687      -0.78220605       0.13851031
O        4.26205000       2.66335000      21.69778000       0.75019413       0.69926585       1.01321593
O        1.13238000       2.65771000      21.80985000       2.18817516       0.09476292      -0.29135974
O       -0.10640000       4.99896000      21.77473000      -0.63531167       0.98832795      -0.05059315
O        1.68136000       4.32302000       2.69807000      -1.01829542      -1.92723442       1.31038422
O       -1.64311000       4.13243000       2.36423000       2.17317141       0.63228144       2.33644688
O       -0.08528000       1.35309000       2.55917000       1.97332053       1.90938262       2.01845979
O        1.68075000       0.64952000       5.16806000      -1.44622848      -0.00732655      -1.25971269
O        4.80887000       0.58966000       5.01484000      -0.42834419       1.05491211       0.23647347
O        3.27456000       3.35945000       5.15691000      -0.68800375       0.76492268      -0.38163271
O        4.45669000       2.45488000      14.76195000      -2.06539478      -0.65455400       1.46654076
O        1.76797000       2.37318000      14.71022000      -1.52627425       1.70404435       1.15905207
O        2.97922000       0.22676000      14.85137000       1.12037711      -2.26738070      -0.08384347
O        1.17129000       4.35456000      24.36244000      -0.16369948      -0.06836132      -0.81021185
O       -1.43002000       4.36422000      24.10946000      -2.33164106      -0.83637131      -0.15607701
O       -0.00176000       2.00619000      24.22075000      -2.02220639      -0.74020979       0.24348098
O        5.62848000       0.09820000      21.62402000       0.59608265       0.34238092       1.08587545
O        2.82920000       1.52092000       2.59000000      -0.26091078       0.81831662      -0.87264511
O        0.33654000       3.28505000      12.25673000      -0.70347027       0.23804032      -1.59738985
O        0.15077000       0.03435000       7.13907000      -0.21507559      -0.91320591       2.35255558
O        3.14344000       1.96679000      17.09057000      -0.42837384      -2.48566340      -0.65294965
O       -0.31721000       3.66479000      26.40285000      -0.43445236      -1.69327902       0.88679291
O        2.77290000       4.86566000       0.42787000       0.73276487       1.79880586      -0.22137268
O        3.23754000       1.66835000      10.06019000      -0.21769675      -0.56781700      -1.05593575
O       -0.07413000       3.47256000      19.57327000      -1.24095358       0.54461961       1.26731353
O        0.14889000       1.68694000      16.89511000      -1.05002614       0.03916473       0.92923151
O        1.50000000       4.34974000      17.00180000       0.83716555      -1.48118581       0.29149627
O       -1.65023000       4.43423000      17.03932000       0.22010433      -0.42075923       1.11355311
O        2.82505000       3.44259000      26.42613000      -0.80795633      -1.94959503       0.20747516
O        1.38413000       1.05611000      26.49843000      -0.85984574       0.76546833       0.97104999
O        4.08532000       1.07244000      26.37797000      -0.33699992      -0.85929160       0.66216316
O        0.22195000       4.98031000       7.23911000       0.38888307      -0.47158419       1.30270008
O       -1.01176000       2.55251000       7.39157000      -0.41364036       0.40761891      -0.12214154
O        1.61828000       2.54294000       7.17402000      -0.58895355       0.08990976       1.62048084
Zn       5.60258000       0.08872000      27.02485000       0.60985911       0.61615769       0.98217187
Zn       3.18699000       1.72011000       7.99021000       0.48665639      -0.36250964       0.57041239
Zn      -0.02665000       3.47331000      17.74372000      -0.92458983      -0.23726380      -0.99266303
Zn       5.61450000       0.21851000      23.60408000       0.67606135      -0.87458796      -0.10547386
Zn       3.20081000       1.54451000       4.42923000       0.30917550       0.23029088       0.51238282
Zn       0.03080000       3.30884000      14.15459000       1.71493715       0.97779388       0.06816471
Zn      -2.79502000       4.96083000      13.19009000      -0.47479605       0.56465021       0.64963173
Zn       2.75255000       1.57775000      22.82944000       0.24992904       1.17621969      -0.00972156
Zn       0.12282000       3.16621000       3.83966000       0.27865278       0.30338329      -0.98701774
Zn      -2.59928000       5.09744000       9.42430000      -1.66579835       0.67334043      -0.42428723
Zn       2.57240000       1.91329000      18.88992000       1.16336250      -0.45953980       0.49969457
Zn      -0.14714000       3.40358000      28.40631000      -0.20252188       0.12476263      -0.52374575
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.44062709 magmom=72.0048355 free_energy=-552.44062709 stress="-0.027353528825128644 0.0031991479050797046 0.0009032864487046196 0.0031991479050797046 -0.04817103176269241 0.011610352509520281 0.0009032864487046196 0.011610352509520281 -0.03369804036526358" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41843000       0.82647000      15.85472000       1.74796215      -0.66887753       0.06316380
Cr       4.45857000       0.99315000      16.08524000      -0.35475298      -2.24257445      -1.25683510
Cr       3.00004000       3.40875000      16.06527000      -0.55301715       0.71663294      -1.72368736
Cr       4.06238000       2.55000000      25.28166000       2.71058448       0.65994481      -1.21379068
Cr       1.20935000       2.78771000      25.35290000       0.23498447      -1.22476241       1.52367649
Cr       2.57169000       0.14684000      25.39971000       0.61493380      -1.00212124      -0.83779781
Cr       1.59751000       4.11096000       6.16071000       1.88799236       1.40518631      -0.72152641
Cr      -1.24069000       4.16571000       6.34190000      -0.82989183       0.63926256      -2.05637946
Cr       0.24663000       1.57297000       6.09585000      -0.52365329       0.20149771       1.38562512
Cr       5.76801000       0.20619000      18.25551000       1.88048552      -1.70231443       1.24237431
Cr       2.84219000       1.79947000      27.73085000       0.04553682      -0.50680961      -0.07685439
Cr       0.35032000       3.40192000       8.57930000      -0.03429912      -0.75456633       2.00619058
Cr      -2.77746000       5.03736000       3.77909000      -0.10547491      -0.82887258      -0.44530275
Cr       3.11544000       1.60553000      13.56231000      -0.31523718       1.33139035      -0.09651774
Cr      -0.10298000       3.46391000      22.88685000      -1.71640792      -0.17869896       1.60542581
Cr      -0.21070000       1.81526000      20.59095000       2.11013168      -0.39472334       2.93779320
Cr       1.30704000       4.41772000      20.49124000      -0.65984691      -0.01439896       3.24287354
Cr      -1.55234000       4.38343000      20.72865000      -3.25675514      -0.40767665      -1.41807973
Cr       2.82191000       3.28362000       1.44355000       1.80688643       1.98399184       0.58885653
Cr       1.28500000       0.86780000       1.33535000       0.03727521      -0.81641246       1.49203875
Cr       4.23856000       0.65637000       1.46971000       0.56459682      -0.18809556       1.55396719
Cr       0.15630000       4.91040000      11.33670000       1.98917275       3.36292264      -3.56505685
Cr      -1.23750000       2.42497000      11.07217000      -0.05775225       0.86007929      -0.82699857
Cr       1.72588000       2.51033000      11.06394000       0.50838985      -1.21420922      -0.71534723
O        1.23038000       0.81986000      19.49651000       0.12829007       0.84585824       0.39890949
O        4.50475000       1.02957000      19.49702000      -3.33723144      -1.39519368      -2.08479493
O        2.67852000       3.84417000      19.43953000       2.02164644      -2.00610440      -0.16190863
O        4.45781000       2.15384000       0.41059000      -2.73803468       2.08852760      -1.27497146
O        1.44472000       2.51366000       0.24106000       0.69686647       0.22390731       0.88476421
O        2.74460000       0.22979000       0.17005000       0.34574309      -1.60876170       1.09955032
O        1.74512000       4.08949000       9.98939000      -1.59108060       0.16508285      -0.29156408
O       -0.90026000       4.12065000       9.93307000      -1.96188511      -0.14238815       0.29208515
O        0.24188000       1.84120000       9.80900000       0.30549362       0.11465799       1.14298012
O        1.84829000       0.92872000      12.26819000      -1.36453587      -1.42817068       0.52575404
O        4.50667000       0.93288000      12.27545000       0.21091321      -1.23781616       1.34534274
O        3.06112000       3.21435000      12.25505000       1.69132049       0.06501725       0.82000103
O        4.32508000       2.70732000      21.74124000       0.43702710      -0.41516497       0.28342464
O        1.18100000       2.63190000      21.69768000       0.85813031       0.47927430       0.23482840
O       -0.13069000       5.05934000      21.73918000       0.83718170       0.27828476       0.32636927
O        1.57149000       4.14421000       2.73201000       0.31547973       0.89632306      -0.71883331
O       -1.54367000       4.31168000       2.43662000      -0.52981276      -0.33732613       0.14279757
O       -0.12860000       1.50596000       2.67377000       0.21416999      -0.21791524      -0.71067090
O        1.62253000       0.57680000       5.12752000      -0.27847992       0.83993593      -0.93863538
O        4.72832000       0.66987000       5.00105000       0.41290261      -0.35500518       1.35556681
O        3.20769000       3.52214000       5.00927000      -0.31187400      -1.30605030       1.15047591
O        4.28287000       2.46337000      14.93519000       1.32479008       1.11176713      -1.43950739
O        1.63028000       2.44980000      14.80889000       1.83756913      -0.70526161       0.18342854
O        3.07994000       0.03586000      14.82480000      -0.54576080       1.32305273       0.30405274
O        1.03957000       4.32659000      24.17638000       0.98818526       0.80136397       0.65271311
O       -1.56371000       4.33123000      24.07653000      -0.36232468      -0.59774172       0.91252169
O       -0.23023000       1.96503000      24.36443000       0.08765542       0.39859701      -1.40820868
O        5.73363000       0.01828000      21.72618000      -0.23848706       0.79133347      -1.58910383
O        2.77856000       1.73579000       2.47723000       0.30553861      -2.10808619       0.42800443
O        0.28728000       3.28394000      12.14621000      -1.02370454      -1.48072009       1.79391468
O       -2.70520000       5.03148000       7.25210000      -0.84413121      -0.17170749       0.45836145
O        3.03574000       1.83685000      17.10767000      -0.62197268      -1.20186018      -0.45286095
O       -0.34781000       3.54164000      26.39744000       0.20025875      -0.21657568      -0.45508319
O        2.81983000       4.98501000       0.34830000      -0.38834573      -0.21499311       0.81465411
O        3.23954000       1.62122000       9.98597000      -0.48842826       0.00438770       0.64181599
O       -0.20010000       3.44364000      19.60064000       0.45324591       1.25115892      -0.70307832
O        0.13874000       1.62100000      17.06299000      -0.75262482       1.48976543      -0.97037290
O        1.63021000       4.34198000      17.03617000      -0.72008535       0.71878503       0.17274907
O       -1.54357000       4.36416000      17.10666000      -2.31071074       1.36981285      -0.91325191
O        2.85817000       3.27555000      26.43100000      -2.31423693       1.70075164       0.65629905
O        1.34108000       1.10936000      26.59662000       0.35050545       0.57678852      -1.39696298
O        4.03862000       0.93574000      26.51659000       0.29324349       0.12837230      -1.65054279
O        0.23563000       4.90054000       7.41350000       0.37333221       0.95674866      -0.73098523
O       -0.97997000       2.59814000       7.34953000      -0.91550588      -1.22887387       0.48366835
O        1.51181000       2.53180000       7.26610000       1.42978347      -0.38829441       0.23407516
Zn       5.70605000       0.04271000      27.05297000      -0.23427197       0.09551062       0.12815940
Zn       3.24823000       1.78249000       8.00381000      -0.19441362      -0.61829179       0.22859814
Zn      -0.05025000       3.51888000      17.67882000       1.38588083      -0.63561842       0.27403204
Zn       5.66150000       0.26828000      23.60223000      -0.10939011      -1.49727833       0.02162294
Zn       3.17383000       1.56768000       4.47847000      -0.71655591       1.03613177      -0.91163812
Zn       0.15554000       3.32458000      14.16973000      -1.37493337       0.32908097      -0.52070989
Zn      -2.77413000       4.97045000      13.25352000      -0.09254015       0.48803579       0.09167644
Zn       2.63492000       1.53509000      22.87015000       0.17435903       1.46095365       0.05521097
Zn       0.21384000       3.20111000       3.81207000      -0.46369967       0.01043413      -0.50205897
Zn      -2.63977000       5.09261000       9.58433000       0.78077013      -0.44536134      -1.29890108
Zn       2.64246000       1.98462000      18.99401000       0.84124565      -0.47065033       0.39332890
Zn      -0.16807000       3.34848000      28.38672000      -0.20831407       1.37571484      -0.49490321
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.90844897 magmom=71.9982208 free_energy=-550.90844897 stress="-0.0401459091432025 -0.005642322314930637 -0.006264543571350058 -0.005642322314930637 -0.05430643493384322 -0.0012143050864320789 -0.006264543571350058 -0.0012143050864320789 -0.035984778451711635" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46594000       0.85003000      15.88443000      -0.58968235      -0.27271334      -0.71142479
Cr       4.44399000       1.01655000      16.04180000       0.15629338      -1.76185547      -0.63649566
Cr       2.95694000       3.46435000      16.02474000      -0.76370967      -0.47034887      -0.80506484
Cr       4.13875000       2.57631000      25.30391000      -1.54547376      -0.04734421       0.52358359
Cr       1.31474000       2.75446000      25.28660000      -3.00855778      -0.24512210      -1.88164753
Cr       2.60490000       0.12675000      25.38148000      -0.37593781      -1.90944351      -2.12471362
Cr       1.62863000       4.12354000       6.12311000       0.64614743       0.12720909       2.58926563
Cr      -1.19200000       4.10836000       6.24281000      -1.65004798       1.41965250      -0.37985901
Cr       0.25761000       1.55650000       6.19929000       0.02535501      -0.51549386       1.49942041
Cr      -0.00419000       0.16137000      18.36074000      -1.41287072       0.48280468      -1.96796064
Cr       2.82627000       1.78101000      27.66963000      -1.71215274      -0.94038956       0.78119131
Cr       0.33830000       3.36251000       8.64880000      -1.41546157      -1.01718507      -0.98796035
Cr      -2.86715000       5.08364000       3.68535000      -1.20326364      -0.65069729       3.20304268
Cr       3.17331000       1.64037000      13.56316000      -0.61204188      -0.42802631       0.13074561
Cr      -0.23168000       3.44851000      22.89397000       2.05229314       1.68672259       1.36389745
Cr      -0.20375000       1.76487000      20.59405000       1.79538441       1.40794724       0.01251317
Cr       1.31550000       4.45801000      20.54372000      -0.22521100      -1.99327603       1.78461013
Cr      -1.59918000       4.32417000      20.65300000       0.34559619       0.06233179       1.14689907
Cr       2.88946000       3.36651000       1.35643000      -0.44091232       0.53082226       3.94045662
Cr       1.19296000       0.91674000       1.35770000       2.64321738      -0.81874041       2.53828980
Cr       4.15541000       0.54774000       1.39343000      -0.32109930       2.82752674       1.68352332
Cr       0.25923000       4.94978000      11.21711000       0.19600568       0.55791499      -0.34468110
Cr      -1.26568000       2.36966000      11.04450000      -0.69512339       1.18374375       1.79055604
Cr       1.66374000       2.49061000      11.07147000       0.98586196      -2.41617187       2.09637809
O        1.38298000       0.72483000      19.52661000      -1.03153800       2.29923246      -0.20768388
O        4.22790000       0.91216000      19.48376000       2.72779525       0.23187179      -0.29537349
O        2.85395000       3.73095000      19.51136000      -0.50175607       1.21054342      -0.14589005
O        4.07258000       2.42457000       0.36251000       2.72702244      -1.36919886      -2.21559374
O        1.36387000       2.54331000       0.49276000       0.32121248       1.04765101      -3.17994673
O        2.70316000       0.10323000       0.18280000      -0.13598017       0.62899789      -0.43181183
O        1.66921000       3.90669000       9.83830000       0.69525551       2.54239136       1.31109214
O       -0.95936000       4.07261000       9.99688000      -1.43791614       0.21010754      -0.36686102
O        0.19314000       1.80348000       9.95374000       0.49761113      -0.54721295      -0.79440240
O        1.86717000       0.80568000      12.25028000      -0.31640360      -0.30185004       0.46340489
O        4.67476000       0.85754000      12.37522000      -1.72150617      -0.55280568      -0.66365682
O        3.08631000       3.09540000      12.35616000       0.49302619       1.46844399      -1.17713481
O       -1.41004000       2.68874000      21.77806000      -2.58309810      -1.23416437      -1.23659907
O        1.34932000       2.72240000      21.64523000      -1.25308091      -0.42977287       0.99001453
O       -0.08839000       5.07327000      21.74216000      -0.84201183       0.24994390       0.90345477
O        1.58867000       4.14926000       2.60666000      -0.33035021       1.08910628       0.07324572
O       -1.57411000       4.46726000       2.55632000       0.36774824      -2.03317421      -1.83899384
O       -0.08906000       1.57705000       2.67394000      -1.01338702       0.23416461      -0.83414510
O        1.43468000       0.63182000       4.94510000       1.55651063       0.27839574       0.90906359
O        4.74139000       0.69088000       5.22723000      -1.19547428       0.67100054      -1.84150300
O        3.07978000       3.52586000       5.05256000       1.27782802      -1.14324729      -0.75210465
O        4.28448000       2.59606000      14.89758000       1.67940393      -0.02767786      -0.53279098
O        1.78957000       2.42879000      14.92320000      -1.21168746       0.85040791      -2.63456354
O        3.08762000       0.11060000      14.86116000      -0.20336064      -0.27411132      -0.30365154
O        1.02656000       4.37206000      24.11907000       0.35029863      -0.13637620       1.08108472
O       -1.75579000       4.15432000      24.23087000       0.78466789       1.43523836      -0.49566579
O       -0.45642000       1.97808000      24.16549000       2.47860778      -0.38718177      -0.38044871
O        5.80634000       0.11149000      21.54544000      -0.82145596       0.12407071       2.04902656
O        2.79403000       1.63555000       2.33090000       0.48916095      -0.16816552       1.50449004
O        0.08897000       3.16025000      12.18056000       1.52203530       1.42221396       0.42189368
O       -2.73211000       4.86572000       7.39467000       0.44145294       0.64387493      -1.22428498
O        2.83708000       1.48392000      16.97401000       1.10735092       2.43394580       1.89786718
O       -0.32436000       3.36595000      26.27888000       0.65068522       1.30692744       1.20443676
O        2.78403000       5.11036000       0.43602000      -0.70105488      -0.73160055      -2.10941648
O        3.15772000       1.58957000      10.04562000       0.04078842      -0.57703144      -0.18018456
O       -0.19267000       3.55520000      19.66751000       1.02814224      -1.26284256      -2.10778026
O        0.03221000       1.77344000      17.06340000       0.05306862      -1.66590794      -0.07357159
O        1.64693000       4.41892000      17.10639000      -0.58680524       0.40807167       0.02493075
O       -1.77938000       4.51269000      17.04020000       2.22604103      -1.42831295       1.51213983
O        2.57493000       3.34274000      26.48691000       2.44253274       0.49722745       0.48621886
O        1.34731000       1.24407000      26.44557000      -0.37154476      -2.26757790       0.48710719
O        4.02768000       0.85705000      26.36280000       0.91508798       1.28096145       1.04385972
O        0.31064000       4.87142000       7.42712000      -0.75827581       0.17719135      -0.85146205
O       -1.03682000       2.51832000       7.33976000       0.79028290       0.57197917       0.22218111
O        1.58048000       2.50201000       7.37623000       0.13904760      -0.05750815      -0.79742777
Zn       5.80473000       0.00883000      27.09149000      -0.39491230       1.08441795      -0.12451213
Zn       3.29747000       1.81035000       8.04023000      -1.11379768      -1.21210068       0.48721213
Zn      -0.02380000       3.54946000      17.59628000      -0.38783184       1.37076553       0.84262857
Zn       5.70489000       0.23750000      23.59614000      -0.57790544      -1.54048289      -0.97586242
Zn       3.11682000       1.63953000       4.48980000      -0.17237554      -0.23350959      -0.67856582
Zn       0.23283000       3.35716000      14.16936000      -0.65715812      -0.02868014      -0.05500814
Zn      -2.75505000       5.00790000      13.34076000       0.46389706      -0.13747655       0.29524933
Zn       2.52648000       1.57134000      22.92319000       0.40064940       0.75051074      -0.71941109
Zn       0.28258000       3.23718000       3.77203000      -0.69329061      -0.00091546       0.05214680
Zn      -2.65753000       5.06180000       9.68024000       0.32829090      -0.91973774      -1.48212867
Zn       2.76175000       2.01434000      19.11225000      -0.63867843      -2.38810826      -1.38637383
Zn      -0.19764000       3.35428000      28.33635000      -0.21747379      -0.26279097      -0.41250343
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.44489446 magmom=72.0008476 free_energy=-552.44489446 stress="-0.040443204456226206 -0.001260348661804665 -0.003609148027083732 -0.001260348661804665 -0.03628041442208517 -0.001032694516022737 -0.003609148027083732 -0.001032694516022737 -0.030474699297272385" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47923000       0.85860000      15.90600000      -0.24555142       0.31897643      -0.08670081
Cr       4.45505000       0.91678000      16.00381000      -0.83902375       1.83307695      -1.15827765
Cr       2.88205000       3.51431000      15.94791000       1.70916411      -0.72296751       0.16837109
Cr       4.13478000       2.59587000      25.39537000       0.42201466       0.18584140      -1.35686487
Cr       1.28436000       2.69197000      25.17416000      -0.64195037      -0.96277913       1.17822026
Cr       2.64260000       0.03677000      25.29472000       0.47531410       1.02014033       0.61217026
Cr       1.71286000       4.15611000       6.21819000      -0.65381243      -0.38698500      -0.33691175
Cr      -1.23587000       4.13611000       6.11715000       0.66804140       0.01779712      -0.24010543
Cr       0.26366000       1.50806000       6.38192000      -0.04770541      -0.41319547      -2.33336519
Cr       0.01945000       0.16575000      18.41490000      -0.87573178       0.40239024      -3.66255396
Cr       2.71705000       1.70819000      27.63495000      -1.38949322       0.45978261      -0.79185516
Cr       0.26387000       3.27266000       8.68772000       0.06444323       1.12368390      -0.48205981
Cr       2.91048000       5.09425000       3.74777000       1.00351216       0.56513221       1.01808884
Cr       3.19759000       1.66989000      13.55424000       0.24815524      -0.41786021      -0.85187481
Cr      -0.27784000       3.51499000      22.95225000      -0.20710393      -0.38775276      -0.54303789
Cr      -0.07291000       1.77762000      20.57820000      -1.25494126       2.16359420       0.73085470
Cr       1.30339000       4.41400000      20.68955000       0.20728708      -0.49318272      -0.80202357
Cr      -1.63878000       4.29904000      20.62177000       3.21265207       0.82738908       2.06329514
Cr       2.94201000       3.44330000       1.41497000      -1.47192799      -1.71002513      -1.87841984
Cr       1.25252000       0.92397000       1.47946000      -0.00919301       0.04522172      -1.91402071
Cr       4.06302000       0.61531000       1.36427000       2.83660925       2.47680446      -1.08020208
Cr       0.35218000       5.02835000      11.07436000      -2.38039483      -3.24669996       2.11212899
Cr      -1.31474000       2.39182000      11.11778000       1.20585556       0.81224466       1.43296799
Cr       1.66291000       2.33171000      11.19959000      -0.10929601       1.25207892       0.69911127
O        1.31990000       0.98574000      19.56016000      -0.10614715      -1.46791123       0.30395346
O        4.37662000       0.75152000      19.39625000       0.71927777       1.37470011       1.21686576
O        2.98440000       3.73376000      19.50049000      -2.65711635      -0.63276086      -0.40901730
O        4.04622000       2.53470000       0.01817000       0.26420734      -0.75073381       2.25900018
O        1.43802000       2.68210000       0.28853000       0.28715602      -1.90395758       0.48996836
O        2.64049000       0.09859000       0.21298000      -0.43022727       0.61677597      -0.28036543
O        1.58074000       4.10325000       9.89777000      -0.07506865      -1.06251813       0.35274921
O       -1.18940000       4.00132000      10.01870000       2.34728213      -0.51873055      -0.80394636
O        0.21585000       1.75314000      10.01302000      -0.13345599      -0.21746058      -0.75344734
O        1.87663000       0.63828000      12.29793000      -0.47645197       1.42663384       0.28247975
O        4.49281000       0.70783000      12.35819000       1.16108887       0.86964777      -0.06904246
O        3.21836000       3.14980000      12.26484000      -1.06407943       0.10353893      -0.04570930
O        4.35996000       2.56319000      21.63198000      -0.10970046       1.41292986       0.37183797
O        1.22045000       2.78151000      21.77786000      -0.34508186      -0.43222397       0.28563942
O       -0.17783000       5.05012000      21.85066000      -0.47551069       1.07447764      -0.96492417
O        1.61677000       4.37602000       2.50614000      -1.31534845      -2.36338944       2.09344181
O       -1.69299000       4.32256000       2.43386000       1.00777027       0.66381488       1.55245487
O       -0.18457000       1.58166000       2.54505000      -0.25809065       0.31611924       1.07649609
O        1.43060000       0.71105000       4.94469000      -0.08627690      -0.71778234       0.85521935
O        4.63602000       0.76477000       5.20640000       0.80763378      -0.42965778      -0.31063988
O        3.14343000       3.42275000       5.04728000      -0.01062996       1.79485492      -0.25761947
O       -1.39879000       2.68517000      14.75731000      -1.87153779      -1.18668941       1.12929018
O        1.82932000       2.48423000      14.64514000      -0.59650032      -0.11534267       1.24456207
O        3.03360000       0.22410000      14.86123000       0.13948226      -1.45046914      -0.30787004
O        1.06452000       4.36068000      24.25995000       0.78424792      -0.25832408      -1.95832115
O       -1.72794000       4.18866000      24.30938000       0.64763051       0.45996717      -1.27788067
O       -0.25494000       1.98075000      23.98478000      -0.03894684      -0.79092416       2.45721565
O        5.74983000       0.18510000      21.63690000       0.46121324      -1.35318820      -0.01300667
O        2.86341000       1.51021000       2.45226000      -1.16374305       2.02678306       0.85130458
O        0.15585000       3.24099000      12.21583000       0.85192893      -0.01808869      -1.16519776
O       -2.67846000       4.83429000       7.24563000       0.05609537       0.94685103       0.81259093
O        2.83521000       1.58508000      17.05941000       0.90503347       1.78749127      -0.50679037
O       -0.20881000       3.41808000      26.27290000      -0.33228156       0.21261170       0.19099763
O        5.62143000       0.00909000       0.33550000       1.02613778       0.22546826       1.18347304
O        3.10134000       1.51075000      10.10958000       0.46107601       1.29764458      -1.74984452
O       -0.00494000       3.49006000      19.44564000      -0.80194208      -0.03272209       2.24014436
O       -0.02460000       1.66402000      16.97505000       1.23945725       0.49589292       0.86792465
O        1.60401000       4.54072000      17.12156000       0.63137400      -1.82028178      -0.40578235
O       -1.70256000       4.43219000      17.14677000      -0.00979347      -0.02190938      -1.12427350
O        2.58414000       3.39064000      26.49101000       1.02582265      -1.80652679      -1.15823173
O        1.31607000       1.04260000      26.29367000       0.76135974       0.34182487       0.26484259
O        4.13122000       0.95966000      26.31919000      -1.05899851      -0.63091151       0.96011455
O        0.24152000       4.81553000       7.25716000      -0.32497194       0.55577879       1.47432280
O       -0.96712000       2.54995000       7.36671000      -1.60941481      -0.05369997       0.70105671
O        1.63810000       2.49804000       7.33463000       0.04527980       0.05553636       0.94708850
Zn      -0.01916000       0.03598000      27.11690000      -1.29682764       0.31212451      -0.59762764
Zn       3.29554000       1.77524000       8.10200000      -0.36375648      -0.96142186      -0.16336691
Zn      -0.01241000       3.62988000      17.55260000      -0.16550129      -0.84539881       0.02777575
Zn       5.71715000       0.12265000      23.54714000      -0.84551786      -0.26616686       0.44298967
Zn       3.04755000       1.69408000       4.45640000       0.16916197      -1.56501431      -0.76396069
Zn       0.26850000       3.39490000      14.15959000      -0.87279741       0.98349796      -0.52735464
Zn      -2.71477000       5.04231000      13.44752000       0.01135417      -0.20472043      -0.47619847
Zn       2.43781000       1.65469000      22.95753000       0.95353984       0.29876478      -0.47261845
Zn       0.31129000       3.27228000       3.74488000      -0.74484029      -0.12928988      -0.22884988
Zn      -2.66390000       4.98927000       9.69328000      -0.71949695       0.50490701      -1.13597710
Zn       2.85959000       1.93287000      19.16313000       0.76423190      -0.94372313      -1.31066503
Zn      -0.23754000       3.35828000      28.25413000       0.90428766       0.03059558      -0.19420563
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.72075155 magmom=72.0259782 free_energy=-550.72414787 stress="-0.05656686381726536 0.006282315176321914 0.011119008584150226 0.006282315176321914 -0.04301528990329903 -0.002577910429087195 0.011119008584150226 -0.002577910429087195 -0.047869811707590734" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47263000       0.87924000      15.92931000       1.73397922       0.69495974      -1.24826852
Cr       4.44360000       0.90150000      15.93967000       0.29168176       1.42337111       0.13721627
Cr       2.91031000       3.52769000      15.88327000       1.93896639      -1.12842939      -1.23313926
Cr       4.14192000       2.59244000      25.44072000       4.02457945      -0.74447525      -3.89997203
Cr       1.23782000       2.58036000      25.14846000       2.31466696       0.64609770       1.69495877
Cr       2.73349000       0.02307000      25.26321000       1.95340531       1.05218025      -0.89981528
Cr       1.73901000       4.17016000       6.32342000      -1.30551654      -0.21022037      -1.23840394
Cr      -1.22984000       4.16423000       6.00980000       1.81395672      -1.52629023       2.19543388
Cr       0.25789000       1.47860000       6.44463000      -0.99272448       3.02502808      -2.19468384
Cr       0.01405000       0.19876000      18.33350000       0.00750920      -2.19065795      -0.18939195
Cr       2.57978000       1.65585000      27.53278000       2.28287036      -0.05483670       0.99703443
Cr       0.19304000       3.24021000       8.69009000       1.95881473       0.47819586      -0.99077889
Cr       5.79380000       0.02213000       3.86362000       1.83970849      -0.23311824      -2.60099501
Cr       3.21892000       1.66626000      13.50893000      -1.02035298      -0.44906616       0.09110162
Cr      -0.32438000       3.55720000      22.98221000      -0.27688264      -1.75128271      -0.73679181
Cr      -0.03461000       1.87340000      20.56899000      -1.68675287      -1.51862613       3.31016098
Cr       1.31772000       4.34732000      20.77621000       0.86862338       0.83443797      -0.93667431
Cr      -1.55927000       4.33818000      20.63227000      -2.08789327       0.51202604      -1.33726745
Cr       2.89174000       3.43552000       1.41033000      -0.98701570      -0.11098112       0.25018846
Cr       1.31943000       0.93376000       1.50732000      -2.46798616      -0.71123637       0.03362647
Cr       4.11330000       0.83375000       1.30495000       1.89409400      -0.21352878       1.97282820
Cr       0.29204000       4.96468000      11.05338000      -1.38937826       0.63192986       0.51174806
Cr      -1.28527000       2.46591000      11.25704000       1.57107553      -1.30543920      -2.97639910
Cr       1.66383000       2.23590000      11.34103000       0.17441096       2.72669875      -5.06886270
O        1.33100000       0.97533000      19.60475000       0.49430674      -1.02794769      -1.15925637
O        4.63993000       0.81676000      19.60169000      -2.60704951       0.75930349      -1.58342669
O        2.70897000       3.72658000      19.50074000       1.38028362      -0.67169381      -0.01115569
O        4.06637000       2.41618000       0.03154000      -0.20535126       0.05581158       1.43093506
O        1.51731000       2.51726000       0.15687000      -2.40851804       1.09803238       1.51482990
O        2.55272000       0.19695000       0.22358000       1.32360366      -1.35414720      -0.43888072
O        1.52837000       4.09127000      10.01741000       1.28504470      -1.29188852      -1.35964500
O       -1.04749000       3.86569000       9.92264000      -1.83538792       2.27270516       1.18865093
O        0.24813000       1.70193000       9.96192000      -0.15784752      -0.38894738       1.03707569
O        1.84606000       0.74290000      12.38728000      -0.37768857      -1.62450746       0.88419376
O        4.43432000       0.75584000      12.29581000       1.72933156       0.52635715       0.83934509
O        3.15463000       3.20179000      12.17271000      -0.15252493       0.45339042       2.19295342
O        4.24934000       2.72686000      21.55147000       0.71871900      -1.06172215       1.67286417
O        0.98536000       2.77503000      21.92113000       2.58889870      -0.55455063      -0.86562294
O        2.63665000       0.01534000      21.80641000       1.53581167       0.57736875       0.58888861
O        1.46451000       4.31667000       2.66597000       0.73254342       0.61235928      -1.48372804
O       -1.71870000       4.30764000       2.51128000       0.22890377       0.88077672       0.40209363
O       -0.26909000       1.56017000       2.57645000       0.44476544       0.41745759       0.08935318
O        1.42108000       0.67225000       5.11343000       0.70588406       1.45319210      -1.51853245
O        4.66704000       0.75042000       5.14160000      -1.13392782       0.53398377       1.83098206
O        3.19481000       3.59594000       4.98270000      -1.59927339      -1.96426816       0.15508070
O        4.39074000       2.53718000      14.81817000       0.84226497       0.56799009      -0.38170209
O        1.79990000       2.49051000      14.58133000      -0.70992274      -0.23534241       1.57878686
O        3.00550000       0.14660000      14.82096000       0.04103495       0.16209074       0.32898341
O        1.15438000       4.25488000      24.12502000      -0.53072793       0.09446048       0.27288682
O       -1.53575000       4.29820000      24.17289000      -1.87186413      -0.54237272       1.20012759
O       -0.11973000       1.90931000      24.20643000      -3.36262632      -0.91154405      -1.73000707
O        5.76943000       0.02091000      21.66051000       0.64294438       0.97937494      -0.12206863
O        2.75729000       1.71924000       2.54787000       0.49159055       0.29948422      -1.87534732
O        0.35613000       3.33138000      12.06985000      -2.24933650      -0.36435129       2.99138857
O       -2.61783000       4.93702000       7.18542000      -0.37880532      -1.35511555       2.67605790
O        3.04290000       2.00330000      17.01569000      -0.50990017      -2.54991449      -0.13775890
O       -0.15509000       3.51724000      26.25301000      -0.52380980      -1.10287354       0.57088761
O        5.69520000       0.03473000       0.43456000       0.18497788       0.06018588      -1.03223959
O        3.14163000       1.58646000      10.02082000       0.18770450      -0.33552288       2.11540251
O        0.02211000       3.45134000      19.59850000      -1.13475771       1.91393062      -1.69187965
O        0.08816000       1.59564000      16.98674000      -0.85685287       1.55853467       0.22120166
O        1.68298000       4.39551000      17.00062000      -1.12938575       0.85222469       0.72192466
O       -1.65622000       4.36238000      17.03192000      -0.04190450       1.33474280       0.11134892
O        2.72733000       3.15524000      26.30567000      -2.44186210       2.90085370       1.90509456
O        1.37692000       0.88861000      26.19319000      -0.95809276       0.88121048       0.90683559
O        4.08886000       0.94745000      26.42961000       0.30342182      -0.88793128      -0.32037647
O        0.14547000       4.79564000       7.29400000       0.91570672       0.57923256       1.00949842
O       -1.09323000       2.57649000       7.43200000      -0.18039209      -0.79258749      -0.88895696
O        1.61833000       2.53041000       7.40247000       0.04957984      -0.28884748       0.42879917
Zn      -0.01436000       0.08469000      27.11767000      -1.91620010      -0.86615801       0.30542098
Zn       3.26751000       1.68507000       8.15515000      -0.55153418      -0.69170136      -1.07496099
Zn      -0.00080000       3.66799000      17.52945000       0.47072740      -1.47619759       1.19079318
Zn       2.73715000       5.10144000      23.52458000       0.09613816       0.90702608       0.56369210
Zn       2.99016000       1.68084000       4.40452000       0.62272807      -0.05868942       1.18953408
Zn       0.24863000       3.47512000      14.12327000      -1.00179707      -0.28916294      -0.77112621
Zn      -2.67126000       5.06640000      13.54090000      -0.39533872      -0.01051307      -0.95585334
Zn       2.39953000       1.75425000      22.97337000       0.98414051      -0.16386498      -0.73142865
Zn       0.29513000       3.29980000       3.72197000      -1.59105017      -0.62599717       0.54808494
Zn      -2.69512000       4.92831000       9.64572000       0.22847977      -0.24806143      -0.87113114
Zn       2.97588000       1.79549000      19.13771000       0.52566368       0.83121814      -0.53730814
Zn      -0.22597000       3.36659000      28.16604000       0.60469078       0.29638690       1.23554423
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.6394024 magmom=71.998335 free_energy=-551.6394024 stress="-0.036652367727521895 0.002688064720261333 -0.003883971491790227 0.002688064720261333 -0.03542087768180221 0.008129115061919146 -0.003883971491790227 0.008129115061919146 -0.037134290875055063" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53499000       0.94165000      15.91713000       0.28751272       1.12780319      -0.19462763
Cr       4.46476000       0.95633000      15.91640000       1.30521494      -0.59103894       0.40004556
Cr       3.03808000       3.49988000      15.77631000      -0.68332352       0.44417613       0.32748608
Cr       4.27697000       2.55124000      25.33669000      -3.04019001       1.30144968       0.98033790
Cr       1.29409000       2.48011000      25.23048000      -1.49011775       2.24314090      -1.72429011
Cr       2.90575000       0.09448000      25.24231000      -2.14580822      -2.24957750      -1.80347360
Cr       1.68457000       4.17267000       6.37366000       1.10787620       0.12940553      -0.13292812
Cr      -1.13549000       4.12288000       6.02980000      -2.10905826       0.33151054       1.81803572
Cr       0.19856000       1.59004000       6.38518000       0.11482690      -1.26457063      -0.40427900
Cr       0.03549000       0.14017000      18.21640000      -1.28969904      -0.43733428       1.34547791
Cr       2.58689000       1.61814000      27.45973000       1.21850995       1.28138852       4.75052232
Cr       0.21072000       3.24219000       8.67064000      -0.71592865      -0.32751457       1.20683186
Cr       5.81621000       0.05229000       3.85075000      -0.28686301      -0.67607621       0.72436625
Cr       3.17914000       1.63309000      13.48512000      -0.66596231       0.13703117       1.59147125
Cr      -0.37691000       3.49151000      22.95661000       1.71029279       0.60994246       0.40371565
Cr      -0.11487000       1.88897000      20.68293000       0.18235055      -0.88348563      -0.47042803
Cr       1.38088000       4.33552000      20.78443000      -1.06020080       1.41534891      -1.27377360
Cr      -1.59595000       4.40615000      20.56189000       0.04829547      -1.22329895       1.15663508
Cr       2.76413000       3.43508000       1.38552000      -0.57784643       2.67689177      -0.38554642
Cr       1.26629000       0.89928000       1.50833000       0.96806945       0.27677603      -1.20310678
Cr       4.28625000       1.01143000       1.36129000      -1.26561767      -3.51746188       1.88475030
Cr       0.16833000       4.91276000      11.10050000       2.37047434       1.68144749       1.89574241
Cr      -1.18230000       2.47575000      11.24816000      -1.81365363      -0.66141201      -0.45153152
Cr       1.66578000       2.30257000      11.24001000       0.53553095       1.52353140       0.23727376
O        1.44969000       0.78168000      19.44014000      -1.87863530       1.77794650      -0.66544812
O        4.50348000       0.95902000      19.67102000       3.09321049      -2.80995107      -0.53325312
O        2.64643000       3.59125000      19.54973000       1.75702342       0.60655840      -1.07745712
O        3.95095000       2.39315000       0.26122000       1.02591958       2.45328701      -3.11054592
O        1.27057000       2.45017000       0.24802000       1.30198894       0.01187507      -0.37896393
O        2.66500000       0.11877000       0.19716000       0.28718843       0.68449209       0.21503372
O        1.58852000       3.83456000       9.93273000      -0.62660211       1.22986920       0.79560421
O       -1.08245000       4.05540000       9.97969000       0.02396862      -0.72960164      -0.20186896
O        0.24629000       1.66187000      10.06402000      -0.66392114       0.02082283      -0.59948074
O        1.78934000       0.73238000      12.49409000       0.28165575      -0.32362235      -1.90495339
O        4.63472000       0.93208000      12.35476000      -0.64326854      -1.50565808       0.39578958
O        3.07817000       3.22042000      12.40464000       0.67589464       0.04918465      -0.97311695
O       -1.56147000       2.80429000      21.76232000      -1.26849384      -1.41029367      -1.10134638
O        1.11964000       2.72526000      21.88361000       0.30154397       0.30312149      -0.12625391
O        2.74200000       0.09299000      21.81437000       0.24019852      -0.82242826       0.56047864
O        1.48351000       4.35423000       2.60510000      -0.30099899       0.57484681       0.35539247
O       -1.72648000       4.50568000       2.67048000       0.50798258      -1.83832434      -0.73148354
O       -0.23373000       1.57387000       2.64880000       0.35156793       1.52127127       0.19272951
O        1.47057000       0.76263000       5.10305000      -0.52407955      -0.79654899       0.01159011
O        4.61487000       0.75172000       5.34253000      -0.21618029       0.10110468      -0.97249268
O        3.01592000       3.54339000       4.99996000       0.82478631      -0.13608085       0.78376950
O        4.36380000       2.46780000      14.78143000       1.54109639       1.49550871      -1.07320016
O        1.70793000       2.43591000      14.81855000      -0.24052440       1.44616536      -1.99150718
O        3.00718000       0.15849000      14.85236000       0.38693045      -0.08941049      -0.05861861
O        1.10273000       4.11450000      24.04158000       0.60942046       0.49206807       1.56398538
O       -1.56665000       4.26442000      24.25619000      -0.23763016      -0.21312310       0.10223174
O       -0.42852000       1.78426000      24.22304000       2.45293580      -0.45227017      -1.67979491
O       -0.02103000       0.04186000      21.59236000      -1.10219945       1.59310143       1.78079700
O        2.71517000       1.91253000       2.33473000       0.94218977      -3.10092023       3.06329969
O        0.21937000       3.31227000      12.27061000       0.50725903      -0.10306634      -2.03624792
O       -2.66005000       4.91321000       7.46346000      -0.36488084       0.58162992      -1.38128779
O        3.16552000       1.96123000      16.90644000      -1.22287318      -1.56329564       1.32009554
O       -0.19756000       3.44477000      26.22321000       0.72239094      -0.04736762       0.48729459
O        5.78516000       0.06842000       0.44963000      -0.90519656      -0.10329983      -1.00911313
O        3.22712000       1.61206000      10.25021000      -0.33179817      -0.83663241      -1.56021183
O       -0.14405000       3.64827000      19.63081000       1.28676187      -1.55555834      -0.88280127
O        0.09439000       1.77618000      17.02550000      -0.45379503      -1.51044481      -0.18985469
O        1.66336000       4.37052000      16.93680000       0.41354760       1.10326178       0.24166892
O       -1.66225000       4.51068000      16.91632000       1.04802766      -1.39064279       1.54846511
O        2.61875000       3.36443000      26.35278000       0.96815464      -1.42995689       0.15192723
O        1.32852000       0.89311000      26.20221000       0.78047926      -0.62967886       0.76139037
O        4.10737000       0.80670000      26.47518000       0.29786724       1.90204898      -0.13005775
O        0.21924000       4.81992000       7.47557000      -0.45628648      -0.16144959      -0.44684968
O       -1.18765000       2.50075000       7.32460000       0.46391059       0.95639929       0.68378058
O        1.55078000       2.53170000       7.49520000       0.58385859      -0.68933047      -0.66642253
Zn       5.78828000       0.08174000      27.12618000      -0.55219577      -0.91656959       0.34397849
Zn       3.20850000       1.55673000       8.17281000      -0.39581566       0.28483942       0.31015607
Zn       0.03043000       3.62720000      17.56014000      -0.42944696      -0.16804296       1.00088744
Zn       2.70797000       5.01573000      23.53329000       0.21301522       0.59870840      -0.22243678
Zn       2.96733000       1.66004000       4.39639000       0.98763562       0.47224114      -0.37735475
Zn       0.17637000       3.54225000      14.06141000      -0.06821845      -0.89838445       2.11832636
Zn      -2.65133000       5.08776000      13.60173000      -0.77219400      -0.00811634      -0.77431969
Zn       2.42202000       1.84192000      22.96113000       1.59505918      -1.09808747      -0.53841829
Zn       0.19950000       3.30248000       3.72895000      -0.49262072       0.31939076      -0.34191807
Zn      -2.72138000       4.86472000       9.55024000      -0.71534119       0.61722751      -0.84626415
Zn       3.09402000       1.71009000      19.05969000      -3.38476113       2.40832623      -1.82179989
Zn      -0.17225000       3.39745000      28.13896000      -0.93019652       0.38478755       0.93776435
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.72596634 magmom=71.992859 free_energy=-551.72596636 stress="-0.024249297178360125 -0.0006491162500428367 -0.005886455854842544 -0.0006491162500428367 -0.03624086446911659 0.0068011483431577495 -0.005886455854842544 0.0068011483431577495 -0.04022398327583935" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59022000       1.03971000      15.92802000      -0.86108900      -1.52963499       0.13242842
Cr       4.57863000       0.98208000      15.94575000      -0.91820452       0.34184630      -2.64131701
Cr       3.13917000       3.50989000      15.70083000      -0.60397505       0.73371104       1.69099984
Cr       4.26015000       2.54096000      25.29801000      -0.79289555       0.39636715      -0.06028250
Cr       1.33322000       2.48131000      25.30880000      -1.74540668      -0.45017078      -1.52824504
Cr       2.94821000       0.10011000      25.21127000      -3.22312105      -1.69333012       0.50705203
Cr       1.67929000       4.17900000       6.41567000       0.32255732      -0.47013639      -0.02858443
Cr      -1.15554000       4.09600000       6.16373000      -2.48447603       1.74810425       0.28575655
Cr       0.14093000       1.64806000       6.29416000       0.56692677      -1.49553063       0.36953058
Cr       0.00254000       0.05206000      18.17250000       0.81732215      -0.24961271      -0.25259180
Cr       2.67858000       1.65573000      27.53919000       0.86466611       1.35123383       2.60949448
Cr       0.20635000       3.22319000       8.70143000      -1.27169283      -0.76440183       1.94436122
Cr       5.84341000       0.04012000       3.85682000       0.15612429      -0.23856765       1.72731481
Cr       3.10491000       1.61301000      13.53172000       0.64218716       0.96423974      -0.18573844
Cr      -0.32451000       3.44905000      22.94816000       0.93281041      -0.28366131       0.56102409
Cr      -0.18599000       1.84101000      20.76095000       1.36843358       1.16844194      -3.00857674
Cr       1.40139000       4.39252000      20.70810000      -0.49392112      -1.09156047      -0.18145359
Cr      -1.66290000       4.43793000      20.50146000       2.44480016      -0.11275829       2.08686847
Cr       2.62001000       3.52650000       1.35846000       2.26901039      -1.87810032       0.28017853
Cr       1.26764000       0.86696000       1.44828000       2.51226761      -0.04187302       0.34861711
Cr       4.38055000       1.02150000       1.50719000      -2.68476173       0.95334839      -2.02800469
Cr       0.17287000       4.95407000      11.24035000       2.05045352       0.11454224      -0.19059036
Cr      -1.18879000       2.42055000      11.20056000      -2.60877008      -0.10267141       1.26915330
Cr       1.70304000       2.44728000      11.12315000       0.28214189      -2.19879986       3.03750851
O        1.28241000       0.87216000      19.25495000       1.28249045       0.87718501       2.55404148
O        4.72217000       0.68125000      19.52019000      -2.86932733       2.80454582      -0.50643462
O        2.90938000       3.60712000      19.45139000      -0.82251407      -0.34211660      -0.20563182
O        3.99563000       2.72147000       0.08477000      -0.29552090      -1.26102735       1.20302774
O        1.28479000       2.40775000       0.30287000       0.90222844       1.01259191      -0.68679990
O        2.84754000       0.20148000       0.20697000      -0.12540087       0.01600543       0.93040152
O        1.50931000       3.84500000       9.95839000       0.73071911       2.74568939      -0.75624557
O       -1.10812000       4.14172000      10.08566000      -0.33086902      -1.26699489      -1.45287115
O        0.15288000       1.67223000      10.10309000       0.93402001      -0.54742781      -1.93545091
O        1.84910000       0.68805000      12.30995000      -1.16659185       1.11958463       1.19340420
O        4.66097000       0.90809000      12.48382000      -0.98671451      -1.14906824      -0.31952559
O        3.13123000       3.17167000      12.47222000      -0.19878130       0.68703808      -2.10392515
O        4.30223000       2.64703000      21.78201000      -0.85869619       1.03570202      -0.76557074
O        1.27641000       2.77430000      21.75754000      -0.97793778      -0.45243776       0.81029204
O       -0.05618000       5.06099000      21.89930000      -0.98360163       0.71682228      -0.66583496
O        1.53086000       4.53275000       2.57494000      -1.31997015      -0.89479953       1.28963041
O       -1.74283000       4.44496000       2.63388000       0.01144236      -1.19280872      -0.68268462
O       -0.11710000       1.73149000       2.69560000       0.26598023      -1.00742373      -0.27806033
O        1.39913000       0.69526000       5.09025000       0.35942296      -0.20403330       0.00267992
O        4.54446000       0.75278000       5.40349000       0.01128998       0.01672052      -1.79018747
O        2.98085000       3.49532000       5.17540000       1.22258471       0.20321649      -1.08946255
O       -1.39004000       2.60085000      14.62120000      -1.63822000      -1.13445415       1.73095123
O        1.64017000       2.59420000      14.76605000       1.31510755      -0.36320852      -0.36434816
O        3.07418000       0.23945000      14.89531000      -0.06982389      -0.77618476      -0.52534646
O        1.08389000       4.04222000      24.22424000       1.63867102       0.71299539      -1.42557627
O       -1.61693000       4.15992000      24.33764000       0.67161952       1.09677577      -1.73714919
O       -0.42567000       1.71469000      23.99335000       0.97644042       1.31663505       1.61694567
O       -0.05245000       0.28133000      21.72740000       0.14985115      -2.59045714      -0.65656523
O        2.84320000       1.69353000       2.47100000      -0.68056724       1.15445462      -0.39526344
O        0.14533000       3.27628000      12.15901000       1.97403283       0.28823491       1.07802171
O       -2.79944000       4.98277000       7.46428000       0.70607712       0.45895851      -1.29848698
O        3.07476000       1.61071000      16.96617000       0.36945068       2.15865803       0.13436452
O       -0.14272000       3.33590000      26.21379000       0.09657790       0.68347867       1.00020863
O        5.71758000       0.09979000       0.38413000      -0.15858124       0.14314210       0.82827763
O        3.23382000       1.50506000      10.27923000      -0.36972487       0.82651812      -2.56933630
O       -0.13810000       3.62030000      19.56887000       0.49777701      -0.71024622       0.95890943
O        0.03114000       1.71685000      17.00006000       1.24637079       0.07264289       0.63835945
O        1.69416000       4.50360000      16.89215000      -0.12119759      -2.40260637       0.27296260
O       -1.51503000       4.45210000      17.01188000      -0.91650606       0.05624043      -1.31019977
O        2.61472000       3.34329000      26.41101000       1.00993019      -1.15610656      -0.03383769
O        1.38997000       0.81230000      26.31973000       0.68990324       0.38711228       0.26625500
O        4.17327000       0.97541000      26.40472000      -0.60991209      -0.16452137       0.20367544
O        0.23668000       4.75138000       7.55513000      -0.73235603       0.77142449      -1.04962969
O       -1.13342000       2.60274000       7.33386000      -0.88748601      -0.82564258       1.35520905
O        1.52196000       2.44755000       7.46215000       0.70807755       0.02054869      -0.22147628
Zn       5.66028000       0.03385000      27.14649000       0.64612969      -0.33122809      -1.07821111
Zn       3.12792000       1.44268000       8.19703000       0.07011157       1.01614232       0.45876664
Zn       0.04796000       3.57299000      17.64035000       0.66256498      -0.05669368      -0.04284427
Zn       2.69196000       4.96254000      23.54242000       0.01763844      -0.10108230       0.68739474
Zn       2.99405000       1.65746000       4.38327000       0.08637912      -0.03053700       0.81281705
Zn       0.10265000       3.56614000      14.08408000       0.76262442       0.33996131      -0.16195808
Zn      -2.67057000       5.10838000      13.62260000      -0.42795808       0.04331338      -1.48311525
Zn       2.52695000       1.87141000      22.93643000       1.22936732      -0.95768506      -0.49775719
Zn       0.06557000       3.32199000       3.74544000      -0.23214634       1.12439068       0.18763897
Zn      -2.77839000       4.83204000       9.40788000       0.00478442       0.75451149       0.52016450
Zn       3.08485000       1.72380000      18.90844000      -0.48695159      -0.22039258       0.30243132
Zn      -0.16614000       3.44681000      28.16595000      -0.52369628       0.30691849       0.30805250
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.41790435 magmom=71.9974982 free_energy=-552.4179786 stress="-0.04151986968626724 0.0015004041556914473 0.0013084914564245776 0.0015004041556914473 -0.02635519132648175 -0.008239631385588623 0.0013084914564245776 -0.008239631385588623 -0.04364832906816562" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.58304000       1.03606000      15.97135000       1.23214486      -1.03128910      -2.51924261
Cr       4.67207000       0.98127000      15.89790000      -2.36231306      -1.27000294      -0.58560477
Cr       3.18438000       3.58133000      15.74670000      -2.39946463      -1.28025125      -0.07624955
Cr       4.16745000       2.57448000      25.28267000       2.43933816       0.21095666      -1.83649794
Cr       1.31315000       2.46431000      25.36030000      -0.71714777      -1.11849479      -1.58394930
Cr       2.80386000       0.02458000      25.25326000       0.51177339      -0.65293328       0.31028382
Cr       1.68701000       4.15271000       6.43654000      -1.46106379      -0.82553924      -1.78204086
Cr      -1.31662000       4.14798000       6.32171000       0.17433667      -0.27714766      -0.31894744
Cr       0.11042000       1.63314000       6.22404000      -0.39659281       1.48670284       0.65913827
Cr      -2.91878000       5.08192000      18.12594000       0.43264050       1.54389029       1.87403023
Cr       2.81086000       1.77217000      27.70196000       0.36163938      -1.56406643      -0.74138019
Cr       0.14051000       3.18182000       8.81313000       0.80996099       1.33613994      -1.77914066
Cr       2.92950000       5.10445000       3.93691000      -0.04905775      -0.72535161      -2.52299482
Cr       3.06594000       1.66145000      13.55500000       0.33163189       1.11718571      -1.25383604
Cr      -0.19590000       3.41942000      22.97208000       0.48846392      -0.05727982      -2.16705944
Cr      -0.18776000       1.83848000      20.68876000       0.75611103      -0.81891277      -1.34033585
Cr       1.37883000       4.40047000      20.61342000       0.40830932      -0.89194411       0.37840925
Cr      -1.61188000       4.46478000      20.52362000       1.57451785      -0.94209780       1.93427488
Cr       2.60434000       3.53888000       1.35939000       1.85192809       0.21556912       2.88943311
Cr       1.41440000       0.83847000       1.39587000      -1.29471893      -0.33310414       2.03591048
Cr       4.31651000       1.06025000       1.56121000       1.50828204       0.03776373       0.08915765
Cr       0.27509000       5.01512000      11.35014000      -1.59659337      -1.22631601      -3.78850487
Cr      -1.31019000       2.34861000      11.20150000       2.32846793       0.55030312      -1.64686044
Cr       1.75807000       2.49417000      11.13404000      -1.29962002      -1.23458310      -2.26655772
O        1.26390000       1.08606000      19.49007000       0.23091081      -1.62222278      -0.50108991
O        4.54837000       0.77825000      19.29539000       0.47424146      -0.31293934       0.88594201
O        3.04238000       3.62153000      19.32674000      -1.28396961       0.05858212       0.33470089
O        4.00198000       2.81549000       0.10799000       0.94875959      -0.53407254       1.47019413
O        1.48982000       2.50269000       0.24908000      -2.45638483       0.04663838      -0.42684352
O        2.99378000       0.31951000       0.36440000      -0.80889543      -1.73969238      -1.10911821
O        1.48402000       4.21497000       9.97672000      -0.13828685      -1.78584586       0.68120107
O       -1.11192000       3.96713000      10.02452000      -1.05257545       0.72050447       0.65663764
O        0.17171000       1.66938000       9.91370000       0.49231659      -0.78972807       1.67888390
O        1.80173000       0.85377000      12.28840000      -0.82354280      -0.46070882       1.13029622
O        4.44659000       0.73042000      12.53598000       1.55220907       0.70988473      -0.09742539
O        3.16911000       3.14222000      12.18294000       0.49321407       0.98297948       1.89564338
O        4.17584000       2.65001000      21.57182000       0.83232227       0.85703261       1.39356659
O        1.20422000       2.78037000      21.73115000       0.46888159      -0.81513052       0.97121782
O       -0.08071000       4.96636000      21.83024000      -0.57886725       1.68264017      -0.54727644
O        1.42034000       4.57476000       2.72270000       0.01387429      -1.22595326      -0.29810993
O       -1.80997000       4.22190000       2.46653000       0.62107212       0.95993193       0.84484546
O        0.04007000       1.64862000       2.64864000      -0.56678661      -0.15167654       0.34262369
O        1.35566000       0.58018000       5.11780000       1.87354935       1.68257429      -0.23256302
O        4.55409000       0.71781000       5.17903000       0.23170332      -0.04036299       0.83551783
O        3.13561000       3.53674000       5.19742000      -1.24053158      -1.21977899      -0.77859962
O        4.38599000       2.53717000      14.74889000       2.23572326       0.22589572      -0.64519867
O        1.84427000       2.70287000      14.62118000      -1.64452732      -0.57294679       1.11435865
O        3.12337000       0.25073000      14.84691000      -0.58882100      -0.49275632       0.38371393
O        1.24449000       4.08562000      24.23935000      -1.66510721      -0.24437452       0.30448069
O       -1.48763000       4.17521000      24.12640000      -1.03922582       0.80541245       1.12253954
O       -0.19026000       1.86975000      24.05348000      -0.19603350      -1.61149146       1.68754575
O        5.80008000       0.13066000      21.64624000      -0.17973281      -0.31890068      -0.18430328
O        2.84271000       1.64271000       2.52166000      -1.49882662       1.88550600      -0.12579238
O        0.33876000       3.25976000      12.10701000      -1.92512416      -0.06106026       2.38181510
O        0.12687000       0.01998000       7.24008000       0.77310926      -0.88397935       2.32494542
O        3.04672000       1.62157000      16.93878000       1.42842655       1.61925125      -1.18022271
O       -0.08912000       3.34170000      26.29318000      -1.08565058       0.79758143       0.15168545
O        5.64330000       0.14502000       0.47996000       0.92966674       0.08993871      -1.73898854
O        3.16135000       1.52430000      10.00954000       0.13547938       0.51720398       3.51358562
O       -0.03331000       3.46421000      19.67490000      -0.93377903       1.32497163      -1.87295122
O        0.16241000       1.63539000      17.03344000      -0.67811533       0.87675099       0.28349042
O        1.71404000       4.28740000      16.83823000       0.17781930       0.92591650       0.37190196
O       -1.49321000       4.37038000      16.89234000       1.07978122       1.06690532       1.22719346
O        2.76430000       3.14066000      26.39142000      -0.80220557       2.77114732       0.31272872
O        1.54547000       0.76628000      26.47328000      -1.58883492       0.62647994       0.10252969
O        4.14832000       1.05032000      26.35791000      -0.00005378      -1.91075651       0.59880928
O        0.13615000       4.72298000       7.45507000       0.49415868       0.71901424       0.61378112
O       -1.19344000       2.59887000       7.55387000      -0.63858061      -1.33259747      -1.10171163
O        1.54673000       2.40894000       7.38125000      -0.22318817       0.60848333       0.38009668
Zn       2.61681000       5.07921000      27.12576000       0.99351817      -0.00600852      -0.00932972
Zn       3.05230000       1.38309000       8.22158000       0.27892098       0.67732122      -2.15975639
Zn       0.09375000       3.52060000      17.72834000       0.21886985      -0.11886434       0.06174857
Zn       2.68574000       4.92392000      23.57961000       1.67870577       1.96562321      -0.96829695
Zn       3.03110000       1.65787000       4.41128000      -0.57882649       0.09318129       0.85358666
Zn       0.06402000       3.59332000      14.12494000       0.76792157      -0.90117774      -0.63064711
Zn       0.23479000       0.02034000      13.58046000      -0.20914648       0.27201685      -1.42741523
Zn       2.69850000       1.84516000      22.89875000       0.31556908      -0.43560459      -1.03861986
Zn      -0.08141000       3.39560000       3.77856000       0.22293805       0.08751785      -0.45904920
Zn       3.06858000       4.84504000       9.26818000       1.60273987       0.90389233       0.05032143
Zn       3.03256000       1.74168000      18.77852000      -1.21152553       0.50870502       1.75920338
Zn      -0.19038000       3.51606000      28.21937000       0.43776920       0.26994850       0.85054156
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.31449103 magmom=72.0004154 free_energy=-552.31449103 stress="-0.03199917569287752 0.0027684786511147676 0.004662952150849411 0.0027684786511147676 -0.023801658958772398 -0.016606862061633698 0.004662952150849411 -0.016606862061633698 -0.03528125975385597" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.61448000       0.96724000      15.92161000       1.34962171       1.52025322      -1.39655098
Cr       4.65650000       0.89828000      15.86234000      -0.86789471       0.39932408      -0.09351096
Cr       3.12299000       3.60724000      15.81782000       1.58311969      -2.18755556      -2.01935065
Cr       4.18691000       2.60508000      25.20632000       0.69986606      -1.19465371       0.79870340
Cr       1.28151000       2.39844000      25.38189000       1.56997146       2.22930364       1.45886072
Cr      -0.27603000       5.05073000      25.34870000       1.74947959       1.59874057      -0.04189295
Cr       1.61284000       4.08794000       6.36301000      -0.18690988       1.46455011      -1.78395896
Cr      -1.45269000       4.17622000       6.43508000       2.09109020      -1.44457789      -2.33521027
Cr       0.07172000       1.68630000       6.20700000       0.11785717      -0.12053185       0.28281304
Cr      -2.85185000       5.08769000      18.11012000      -0.26520070       1.94586509       2.23827689
Cr       2.92229000       1.82213000      27.81780000      -1.46941790      -0.92999668      -2.92993940
Cr       0.09978000       3.19900000       8.84141000       0.54704095       0.29625222      -1.96904037
Cr       2.97337000       5.02341000       3.88071000       0.02469130       0.48837528      -0.72281725
Cr       3.06258000       1.76763000      13.52161000       1.04711894      -0.10053417       0.31168661
Cr      -0.07406000       3.39388000      22.90281000      -2.45405295       1.02984631       1.03913016
Cr      -0.15069000       1.81016000      20.53763000      -0.72874448      -0.55736320       1.30451477
Cr       1.36709000       4.34963000      20.53717000       0.35485325      -0.65103736      -0.08822041
Cr      -1.50195000       4.44746000      20.60448000      -2.37914674      -1.29684727      -0.87811436
Cr       2.68686000       3.54415000       1.47173000      -1.55407165       0.68309643      -0.70747820
Cr       1.48684000       0.80703000       1.42563000      -3.20508709       0.68989200       0.04894690
Cr       4.30793000       1.08854000       1.59343000       1.57471278      -1.37416311       0.15955607
Cr       0.28245000       4.99617000      11.27391000      -3.45425055      -0.70935435       0.99822665
Cr      -1.30468000       2.32500000      11.14925000       2.43949789       0.77501695       1.61553502
Cr       1.72608000       2.47332000      11.09344000      -1.96838729       0.54415496       2.28254968
O        1.31830000       0.99934000      19.65940000       0.61663154      -0.30971477      -2.89896605
O        4.49018000       0.83699000      19.31449000       0.60674121      -0.64431604      -0.19333778
O        2.91867000       3.64648000      19.30365000      -0.17473674      -0.35589341       0.94370113
O        4.11368000       2.73935000       0.41858000       0.44964619      -0.99124367      -0.39289756
O        1.37340000       2.62046000       0.16818000       1.73416472      -1.05576430       1.39439018
O        3.01135000       0.17727000       0.39276000      -0.35554299       2.01637644      -0.04094613
O        1.45028000       4.22097000      10.05604000       1.08511205      -1.59657453      -1.78774355
O       -1.24486000       3.87551000      10.01235000       0.22717697       1.56816856      -0.34184754
O        0.29155000       1.62821000       9.95230000      -0.49088723       0.21429403       0.35073064
O        1.66756000       0.99004000      12.43692000       0.68622632      -1.26254719      -0.92438200
O        4.42099000       0.72015000      12.48385000       0.83586155       0.87780635      -0.50117147
O        3.23129000       3.20687000      12.14012000      -0.68351051       0.45014571       1.39803655
O       -1.59200000       2.80973000      21.60987000       0.86819370      -1.71105501       1.15654877
O        1.16581000       2.64530000      21.80996000       1.69138829      -0.37040352      -1.57072225
O       -0.15205000       5.08870000      21.68266000       2.14001254       0.18450298       1.77782685
O        1.37926000       4.43561000       2.79167000       0.22596788       0.30793655      -0.47164934
O       -1.77615000       4.23970000       2.49687000       1.88200187       0.46199377       1.47876231
O        0.05534000       1.45140000       2.64923000      -1.00294571       1.44516920       0.75484758
O        1.52751000       0.70626000       5.13356000      -1.34602138      -0.85927794       0.43677673
O        4.65759000       0.66572000       5.12234000      -0.61191633       0.34349912       1.04361065
O        3.10265000       3.45467000       5.11941000      -0.42427909       0.57457468       1.02577494
O       -1.39108000       2.48860000      14.79257000       0.07645779       0.86398494      -0.98175531
O        1.83318000       2.64806000      14.70118000      -1.28675762       0.12727907       0.45183677
O        3.07292000       0.24814000      14.82166000       0.23305435      -0.06034029      -0.22356717
O        1.12563000       4.08915000      24.24612000       1.02879337       0.53941994      -0.18057654
O       -1.45975000       4.27389000      24.07957000      -0.83280167      -1.17219417       0.15121922
O       -0.07762000       1.82523000      24.34052000      -2.45928265      -1.44812257      -2.87359399
O        2.79331000       5.04013000      21.50145000       0.37278294       2.19626663       2.17642517
O        2.66362000       1.90330000       2.46575000       1.72586069      -1.12923960       1.41894938
O        0.25869000       3.24759000      12.31557000      -0.52297041       0.37165413      -2.68353746
O        0.17987000       0.01896000       7.32041000      -1.61819673      -0.14280529      -0.20260248
O        3.21199000       1.90198000      16.71468000      -0.91139510      -1.00819134       2.32467187
O       -0.21426000       3.44650000      26.33090000      -0.27958792      -1.40019829       0.55526181
O        5.73099000       0.17369000       0.41174000       0.01932010      -0.38344911       0.69202810
O        3.11613000       1.60567000      10.20959000       0.40612816      -1.81611013      -2.47516465
O       -0.08999000       3.52192000      19.58363000      -0.24759596      -0.08477630       0.46070449
O        0.22558000       1.70873000      17.06614000      -0.71836985      -1.53095535      -0.80631699
O        1.73273000       4.21499000      16.88296000      -0.28688323       2.25132108       0.82356263
O       -1.34008000       4.45675000      16.92874000      -0.96651768      -0.21743864       0.82400170
O        2.82693000       3.33021000      26.39455000      -0.33749335      -2.07438225      -0.11273113
O        1.46493000       0.83483000      26.57321000      -0.20197183       0.61298049       0.01455028
O        4.06480000       0.84975000      26.38703000      -0.20881087       1.81292623       0.10571111
O        0.10779000       4.76364000       7.41483000      -0.06415443      -0.39758660       1.02402387
O       -1.28129000       2.40863000       7.56064000       0.32101620       0.91064989      -0.71027381
O        1.47949000       2.50076000       7.35336000      -0.01606748      -0.71412656       1.42219233
Zn       2.58730000       5.01841000      27.09944000       1.00596386       1.27298315       0.56897890
Zn       2.99620000       1.37313000       8.17439000       0.21713002       1.34707321       0.33100875
Zn       0.15154000       3.46838000      17.79681000       0.03725141       0.25734278      -1.86374478
Zn       2.74431000       4.97296000      23.57909000      -0.47782705       0.78147838      -0.54250593
Zn       3.04052000       1.65956000       4.47904000       0.21852290      -0.38976826      -0.61501419
Zn       0.06746000       3.57955000      14.14133000       0.64566322      -0.59504010       0.56232096
Zn       0.18227000       0.05191000      13.48969000       0.05139051       0.10723215      -0.54102836
Zn       2.87961000       1.79656000      22.82391000      -0.25979144      -0.07313842      -0.58867079
Zn      -0.20788000       3.47413000       3.79741000       0.81949092      -0.35322473      -0.69863653
Zn      -2.81473000       4.89891000       9.15567000       0.32174102       0.02380500       2.33930864
Zn       2.91678000       1.78453000      18.72442000      -0.21758595       0.14694541       0.24374843
Zn      -0.19331000       3.59136000      28.30560000      -0.16154814      -1.01798721      -0.60084206
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.95562249 magmom=71.9984376 free_energy=-552.95562249 stress="-0.024955770619119 -0.003133386347563411 -0.0024502626046557776 -0.003133386347563411 -0.042626204210806075 0.009692192095679343 -0.0024502626046557776 0.009692192095679343 -0.040684905118295936" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.68880000       0.95051000      15.84201000      -0.97807311       0.03210084       1.13029570
Cr       4.60869000       0.83543000      15.87136000      -0.30933815       2.67959875      -1.72090806
Cr       3.11253000       3.56200000      15.84381000       0.97452067       0.31319293      -0.45812594
Cr       4.23828000       2.54500000      25.18955000      -1.71111911      -1.59172470       0.78287605
Cr       1.30765000       2.43854000      25.46157000      -1.91531105       1.67227779      -2.67249238
Cr      -0.30850000       5.05779000      25.44922000       0.39577327       0.34041616      -1.48407123
Cr       1.50512000       4.08675000       6.21348000      -0.69691207       1.05741581       1.94691049
Cr      -1.46659000       4.12648000       6.41880000       0.03171807       0.67960278      -1.26528869
Cr       0.04653000       1.73948000       6.21613000       0.88539323      -2.12792040       0.25669394
Cr       0.14789000       0.08067000      18.13769000      -0.72304679      -0.74203936       1.85272729
Cr       2.92477000       1.81278000      27.82676000      -0.89776106       0.59748388      -1.37042554
Cr       0.08953000       3.23570000       8.75065000      -0.12869610      -0.82404457       0.66938318
Cr       2.99313000       4.98154000       3.80090000      -0.86169911       1.49540749       3.95014886
Cr       3.11423000       1.85807000      13.49706000       0.16992124      -1.91379049       0.85432999
Cr      -0.04475000       3.41928000      22.87869000       1.64635802       0.26213923       2.20383561
Cr      -0.12285000       1.74031000      20.45633000       1.18038396       0.20034103       2.33975021
Cr       1.39491000       4.27765000      20.48190000      -0.09346652       0.72181077       2.68363403
Cr      -1.52442000       4.37504000      20.64799000      -1.27744492       0.51323227       0.81862194
Cr       2.71840000       3.55112000       1.53451000       1.30032673      -1.42437621      -0.19975347
Cr       1.39233000       0.85673000       1.45771000       0.62739521       2.00263170       1.70210780
Cr       4.38011000       1.02287000       1.61856000      -1.22393733      -1.88468670       0.93776758
Cr       0.11380000       4.93084000      11.20621000       0.02310616       2.35545023      -1.07083895
Cr      -1.18854000       2.36473000      11.15743000      -3.77775494       0.11116386      -1.20338955
Cr       1.61158000       2.45452000      11.15899000       2.50181323      -0.16914442       0.68972227
O        1.39736000       0.79983000      19.36847000      -0.69914075       0.62148094       1.39095656
O        4.60665000       0.72674000      19.34927000      -1.67758155       1.33941201      -0.98471836
O        2.79203000       3.64549000      19.43213000       2.30713720      -0.93580651      -0.85781312
O        4.30994000       2.57118000       0.63013000      -0.99998796       1.78704465      -2.54558458
O        1.49619000       2.56407000       0.34793000      -0.32184982       0.51800055       0.20511882
O        2.94517000       0.33189000       0.38760000      -0.09602358      -1.27278533       0.25384687
O        1.48785000       3.93363000       9.92637000      -0.08617977       1.60891402       0.10199529
O       -1.28036000       4.00254000       9.98019000       0.88519552       0.11859118       0.05392136
O        0.28802000       1.66234000      10.07249000      -1.34814985      -0.63319619      -1.45184305
O        1.73394000       0.93249000      12.42322000       0.19953733      -0.54699202      -0.29981880
O        4.49412000       0.89390000      12.32145000      -0.53786413      -1.28122515       0.99955638
O        3.17933000       3.29797000      12.35244000      -0.47383590       0.84539626      -1.43495659
O       -1.29419000       2.71450000      21.78907000      -2.73896067      -0.99772131      -2.32082717
O        1.31007000       2.53027000      21.66037000      -0.06286268       1.16489748       0.09994853
O        3.00464000       0.00326000      21.74444000      -0.86385546      -1.11963655      -0.11374295
O        1.47636000       4.37627000       2.73203000      -0.55950279       0.32426365      -0.07074998
O       -1.48758000       4.40388000       2.70299000      -1.09361188      -0.15888836      -1.86783168
O       -0.10518000       1.47128000       2.76322000       1.26695604       1.44757699       0.00522916
O        1.44085000       0.69536000       5.23523000       0.17231388      -0.27654420      -0.61371034
O        4.68756000       0.65707000       5.23736000      -1.59152308       0.41679472      -1.87474040
O        2.97051000       3.49246000       5.20778000       1.12194117      -0.90121912      -1.13872103
O       -1.34242000       2.51858000      14.70040000      -1.56320525      -0.00598884       0.81891261
O        1.66347000       2.59640000      14.86879000       1.19618254       0.76504130      -1.30635602
O        3.08971000       0.28702000      14.76024000       0.67087540      -0.93671815      -0.58122111
O        1.08207000       4.13604000      24.26459000       1.14677469       0.11790706       0.82941678
O       -1.52062000       4.14577000      24.15308000       0.28973082       0.41958080      -0.45988440
O       -0.27690000       1.65238000      24.23743000       1.45426540       2.35561318       0.13206697
O        5.75532000       0.09197000      21.62409000       0.58872158      -0.48195459      -1.14570666
O        2.76659000       1.93098000       2.58097000       0.54514105      -1.54644550       0.23337842
O        0.06571000       3.31879000      12.10366000       2.01472976      -0.50448892       2.81103693
O        2.93750000       5.03987000       7.28702000       0.15434956       0.05614973       0.06980880
O        3.23357000       1.96310000      16.83925000      -0.62172696      -1.55671438       0.37217444
O       -0.37156000       3.34841000      26.38480000       1.46369243       0.10473868       1.09729237
O        5.82255000       0.11076000       0.48001000      -0.85410540      -0.47646998      -0.61716506
O        3.12921000       1.45717000      10.16516000      -0.10635296       0.99222376      -0.82189271
O       -0.20073000       3.55925000      19.59596000       1.23385707      -1.46477637      -0.88995339
O        0.14964000       1.58908000      16.92748000       0.65563788       1.06961746       0.38934505
O        1.71825000       4.48205000      17.01925000       0.04692405      -2.17289084      -0.54828209
O       -1.29766000       4.53512000      17.08914000      -0.80343475      -0.96881729      -1.57131275
O        2.80159000       3.20522000      26.38212000      -0.14282202       1.14679739       1.04107510
O        1.35517000       0.98387000      26.61628000       0.45362285      -1.53297710       0.84089205
O        3.95017000       0.96284000      26.42602000       1.98973593      -0.77880513       0.63025209
O        0.07189000       4.69963000       7.51998000      -0.35263856       1.12554530      -0.95882528
O       -1.27493000       2.42591000       7.39492000      -1.10837978       0.66577563       1.06779637
O        1.36787000       2.52862000       7.49976000       1.07475386      -0.65634427      -1.14251565
Zn       2.61216000       5.01917000      27.09999000       0.30112261       0.83187515      -0.17327281
Zn       2.95433000       1.43307000       8.12954000       0.30098971       0.71126641       0.48289005
Zn       0.20948000       3.42424000      17.76612000      -0.42868713       0.06742870      -1.36364541
Zn       2.78788000       5.06533000      23.54391000      -0.62598378      -1.16487169      -0.17627470
Zn       3.05416000       1.64294000       4.52490000      -0.23538362      -0.46208003       0.10547279
Zn       0.11548000       3.53938000      14.16377000       0.49003760       0.31333591      -0.74186869
Zn       0.13436000       0.08511000      13.38028000       0.19935583      -0.34013382      -0.22269201
Zn       3.04320000       1.74595000      22.73090000      -0.85586235       0.03236790       0.00688172
Zn      -0.28038000       3.52662000       3.79794000       1.98926375      -1.13749100       0.72555974
Zn      -2.77296000       4.95652000       9.16536000      -0.52721305      -0.10450949       1.49751056
Zn       2.78345000       1.84242000      18.68881000       1.55401477      -0.13098258       0.74754405
Zn      -0.19568000       3.61326000      28.37365000       0.46771559      -0.77670079      -0.08746415
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.48510022 magmom=71.9991136 free_energy=-553.48510022 stress="-0.025704631920940336 0.0003371153922657464 0.0003689845316209972 0.0003371153922657464 -0.042755461576886346 0.008527624322203567 0.0003689845316209972 0.008527624322203567 -0.039072924843168454" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.69833000       0.93221000      15.83937000      -0.59005868      -0.37964906      -0.87584429
Cr       4.56887000       0.89876000      15.83946000       0.74660346       0.15404156      -0.30366956
Cr       3.15554000       3.55016000      15.89393000      -1.41025296      -0.40948695      -0.13921129
Cr       4.19061000       2.39817000      25.24860000      -0.15922914       1.56331610       0.49598801
Cr       1.25201000       2.56476000      25.44958000      -0.42220479      -1.14718859      -0.05168841
Cr      -0.29890000       5.10065000      25.49299000       0.70848671      -0.93701547      -0.35758423
Cr       1.36978000       4.14856000       6.15573000       0.66167994      -0.34778284       1.09497319
Cr      -1.47062000       4.10910000       6.31306000      -1.31922715       0.98999110      -0.41663068
Cr       0.04719000       1.66618000       6.24906000      -1.61128867      -1.42444241       0.14728046
Cr       0.12420000       0.14027000      18.19325000      -1.68316541      -1.83007127      -0.72751803
Cr       2.85044000       1.82075000      27.80838000       0.13337045      -0.63144896       1.24361891
Cr       0.08482000       3.23320000       8.67751000      -0.03382824      -0.17923348       0.34021528
Cr       2.96023000       5.03813000       3.91828000       0.30158988       1.02952509      -0.54386406
Cr       3.17017000       1.84074000      13.49660000      -1.48640909      -1.17524928      -0.71873986
Cr       0.03261000       3.44092000      22.96018000      -0.46616608      -1.70904780       0.11984033
Cr      -0.03682000       1.67490000      20.48012000       0.02441317       1.80861591      -0.00939922
Cr       1.43425000       4.24595000      20.53683000      -0.07026295       1.21417318      -0.91576994
Cr      -1.61626000       4.30075000      20.68862000       3.90550155      -1.37536010      -0.70638100
Cr       2.82605000       3.46489000       1.56072000       3.36661043       0.01212547       1.45444902
Cr       1.32651000       1.02021000       1.56355000       1.27703208      -1.06308534       1.09456589
Cr       4.38902000       0.88368000       1.66060000      -0.42959291       1.22810357      -1.45834583
Cr      -0.04464000       4.99011000      11.09944000       4.92092645       0.23060581       0.51261372
Cr      -1.26709000       2.42276000      11.12942000      -2.09065377       0.63283462      -0.37936845
Cr       1.61505000       2.43437000      11.25397000       0.46770819       0.96863510      -2.71810655
O        1.41660000       0.74878000      19.37549000      -0.31245490       0.41559740       1.67534543
O        4.46467000       0.80543000      19.28003000       0.94259559      -0.18831941       0.82860990
O        3.00686000       3.58403000      19.48532000      -0.96547682       1.02020845      -0.92781546
O        4.28317000       2.58030000       0.43465000      -1.35318840      -0.83142350       0.11780691
O        1.57487000       2.58672000       0.55025000      -1.95301635       0.74926285      -2.70477290
O        2.86063000       0.34480000       0.44862000       0.19047179      -1.01472480      -0.33484885
O        1.48797000       3.86714000       9.83487000       0.39654780       1.14428401       1.08123546
O       -1.13968000       4.12573000       9.93729000      -2.31815297      -1.43896442      -0.87190867
O        0.06344000       1.68813000       9.99916000       1.12351169      -0.14910628      -0.13218328
O        1.87849000       0.81762000      12.31940000      -2.21079163       0.84665745       1.33810516
O        4.41719000       0.92190000      12.27474000       0.43687353      -0.50227201       0.38308049
O        3.02248000       3.39960000      12.33433000       0.62562461      -0.87740611      -0.88854066
O       -1.30953000       2.52297000      21.64988000      -0.48605766       1.61099491       0.86253420
O        1.41681000       2.64716000      21.54121000       0.02702757      -1.00127513       2.07197972
O        0.12440000       4.89250000      21.81290000      -1.34394471       2.08739806      -0.72436906
O        1.58905000       4.39376000       2.66543000      -0.76964390      -0.88477805       1.54805909
O       -1.44963000       4.57223000       2.63561000      -1.58575815      -2.09541002       1.04032831
O       -0.09710000       1.66985000       2.84966000       0.32728767      -0.41738477      -0.23257280
O        1.30643000       0.61126000       5.24928000       1.43805113       1.19695246      -1.00723744
O        4.51501000       0.69256000       5.10187000       1.41447459      -0.80007194       1.05384920
O        2.96928000       3.46350000       5.15937000      -0.57521772      -0.37921289      -0.61549417
O        4.32616000       2.55564000      14.77155000       3.08520166       0.95520342      -0.04920717
O        1.77605000       2.61835000      14.81623000       0.04296804      -0.34297403      -0.65297064
O        3.20187000       0.23913000      14.64590000      -0.90443308      -0.17055845       0.79101739
O        1.21805000       4.20169000      24.40926000      -0.09013903       0.58403050      -0.94286450
O       -1.48466000       4.04589000      24.18039000      -0.44490270       1.43754689      -0.23052044
O       -0.22839000       1.90098000      24.12129000       1.31132082      -1.61853671       0.69518514
O       -0.02114000       0.16423000      21.56498000      -0.85505085      -2.01780246       1.44417341
O        2.99842000       1.66080000       2.67148000      -1.64081912       1.67267084      -0.54647139
O        0.17672000       3.31160000      12.19814000      -0.84167357      -0.10044249       0.10617203
O        2.78492000       4.97274000       7.19307000       1.30808128       0.60590893       1.65632322
O        3.14136000       1.72580000      16.90649000      -0.20707708       0.80100096      -0.98548847
O       -0.27319000       3.24853000      26.50179000       0.26159876       1.10324401      -1.01400625
O        2.83717000       5.10049000       0.53539000       0.20291841       0.90750108      -0.89689585
O        3.11979000       1.45723000       9.99386000      -0.24441849       1.37786686       1.46965883
O       -0.10355000       3.37479000      19.60085000       0.45410103       1.03878436      -1.30221973
O        0.18013000       1.62480000      16.84824000       0.06033196       0.03980935       0.87254956
O        1.70869000       4.43281000      16.99507000       0.87229569      -0.28058005      -0.47051952
O       -1.42445000       4.43580000      16.95698000       0.56437619      -0.05271342       0.51642400
O        2.75508000       3.19224000      26.45524000       0.33263185       1.04299580      -0.24509436
O        1.36918000       0.93530000      26.68287000       0.48209398       0.17010159      -1.10476854
O        4.11720000       0.97106000      26.53558000      -1.19112196      -0.94475369      -0.46972616
O       -0.03747000       4.75698000       7.45006000       0.51302826       0.83108009      -0.41977142
O       -1.36580000       2.56849000       7.37524000       0.20639565      -1.51259254       0.94208791
O        1.36002000       2.46058000       7.42831000       0.05675269       0.39789621      -0.95704119
Zn       2.65852000       5.07171000      27.10583000       0.81704200      -0.19967152       1.00769809
Zn       2.92961000       1.53881000       8.10465000       0.58146748       0.08728602      -0.46599975
Zn       0.24559000       3.38603000      17.65028000      -1.13127521       0.73962219       0.29266619
Zn       5.74774000       0.00457000      23.50349000       0.23952327      -0.17876900       0.71335998
Zn       3.05160000       1.60401000       4.57297000      -2.15776605       0.59648031      -0.37994222
Zn       0.18886000       3.50769000      14.15675000      -0.50360145      -0.60397532      -0.22366734
Zn       0.09673000       0.10184000      13.26704000       0.18285952      -0.22543978       0.21478228
Zn       3.16289000       1.69443000      22.64239000      -1.28556186      -0.32552246       0.27048406
Zn      -0.25635000       3.52345000       3.83551000       0.85447061      -0.45256367      -0.55133378
Zn      -2.76026000       5.00362000       9.26512000      -1.27425698      -0.67921196      -0.31714969
Zn       2.72462000       1.88892000      18.71085000       1.79105738      -0.59058347       1.05587050
Zn      -0.17307000       3.59323000      28.43608000       0.76123568       0.19374940       0.43459182
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.2176837 magmom=71.9973302 free_energy=-552.217686 stress="-0.04729291189017955 0.0008429106644470142 0.00557366079623673 0.0008429106644470142 -0.035716432481349564 -0.010331691802951567 0.00557366079623673 -0.010331691802951567 -0.037055570864812364" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.63745000       0.87275000      15.81245000      -0.37059851      -0.39797257      -1.90791772
Cr       4.59627000       0.97359000      15.81008000       1.02582858      -0.85993186      -0.55166161
Cr       3.12733000       3.51493000      15.94037000       1.08700652      -1.92581155      -3.26608402
Cr       4.11680000       2.33341000      25.35261000       1.82389882       3.25798729      -1.48015707
Cr       1.20547000       2.63823000      25.44826000       3.72088128      -1.10878752       0.56291816
Cr      -0.24169000       5.10029000      25.52073000       0.42656689      -1.46396822      -2.54861312
Cr       1.27625000       4.19433000       6.18191000       2.13523804      -1.76599672      -0.24605275
Cr      -1.54183000       4.13826000       6.19086000      -0.00844015      -0.57135666       1.09433211
Cr      -0.03039000       1.50365000       6.30193000      -0.84491979       1.36638768       0.02055219
Cr      -0.01612000       0.11189000      18.21823000       1.80681396       0.10556165      -0.31540747
Cr       2.75136000       1.79898000      27.82982000      -1.40106874      -1.22972656      -1.40301076
Cr       0.08409000       3.22130000       8.64031000      -0.07222543       1.03861720      -0.17265874
Cr      -0.01526000       0.03810000       4.00197000      -0.25666583      -1.27642719      -3.40645273
Cr       3.16161000       1.74690000      13.47533000      -0.17712213       0.44983238       0.03947392
Cr       0.09312000       3.40995000      23.04154000      -1.38587278       0.91511654      -1.07550892
Cr       0.04519000       1.67796000      20.50391000      -1.09042449       1.29782890       2.58220389
Cr       1.46155000       4.27696000      20.56338000      -0.32637653      -0.19388974      -0.07605850
Cr      -1.50525000       4.16993000      20.67886000       1.21181276       2.15992964      -1.64362322
Cr       3.07328000       3.36864000       1.61769000      -3.16594360       2.34690915      -0.64803191
Cr       1.35176000       1.13282000       1.70924000      -0.02725637      -2.46501236      -2.35233101
Cr       4.35731000       0.78361000       1.62319000       0.24452752      -0.04451564      -0.87264023
Cr       0.03114000       5.08785000      11.00872000       1.46357021      -2.18005039       1.78545455
Cr       4.42436000       2.49580000      11.06380000       3.17115480       0.59655706       1.10819772
Cr       1.63380000       2.47815000      11.20657000      -3.39301985       0.19326441      -1.65163894
O        1.44715000       0.79866000      19.71281000       0.55301096      -0.58405521      -2.97839276
O        4.46697000       0.87069000      19.36232000       0.79040092      -0.58328597       0.01810561
O        3.07499000       3.69472000      19.34818000      -1.48628174      -0.80897474       0.21825927
O        4.07344000       2.48882000       0.25812000       3.07186927       0.38852400       1.77793609
O        1.39882000       2.71142000       0.41475000       2.37217712      -1.98341951       1.20411209
O        2.80719000       0.20668000       0.51775000      -0.38030584       1.45964654       0.07868171
O        1.47822000       4.01348000       9.92253000      -0.93643172       0.52430414      -0.35580230
O       -1.24567000       4.03699000       9.83959000       0.34862402       0.78005434       0.54208691
O       -0.01733000       1.75817000       9.90987000       0.93427296      -0.26363769       0.35768110
O        1.73688000       0.83411000      12.32692000       0.26646340       0.14107360      -0.45315128
O        4.36118000       0.89283000      12.26846000       0.46096309      -0.34880323      -1.37653644
O        2.98668000       3.30370000      12.13256000       1.77942338       0.57834218       1.69430323
O       -1.35810000       2.59844000      21.58264000       0.89739259      -1.62615476       1.77465177
O        1.45112000       2.68526000      21.75612000      -0.33551452      -0.55626537      -0.16643384
O       -0.03883000       4.89670000      21.75023000       0.92724356       0.46907894       0.19184610
O        1.63559000       4.33100000       2.80819000      -1.00883987      -0.09126949      -0.25396735
O       -1.74799000       4.45888000       2.69068000       2.90773887       0.04351066       0.92611537
O       -0.02518000       1.73103000       2.86522000      -1.31466169      -0.12579999       0.22455805
O        1.37706000       0.71600000       5.13447000      -0.62994018      -0.39309900       1.08177854
O        4.53677000       0.61611000       5.14290000      -1.29181605       2.02684927       0.88101249
O        2.90152000       3.43928000       5.01632000      -0.05318116       0.77775891       1.28793343
O       -1.37794000       2.69581000      14.81221000      -0.50211466      -1.34577553      -0.74941868
O        1.94115000       2.57020000      14.64860000      -1.93059669       0.22887634       1.01951643
O        3.16895000       0.22295000      14.68942000      -0.03264711      -0.28286899       0.05791043
O        1.29046000       4.30530000      24.40148000      -0.66003091      -0.38521924      -0.94150316
O       -1.45260000       4.17442000      24.18789000      -0.06764468      -0.63478629       0.23680018
O        0.02126000       1.91869000      24.20834000      -1.87055283      -2.01258178      -0.19011981
O        2.91801000       5.03470000      21.59851000      -0.17832999       0.97068089       0.08008151
O        2.96019000       1.67067000       2.60438000      -0.06821845       0.78089599       1.28275419
O        0.22301000       3.24959000      12.25837000      -1.63789796       0.92544483      -1.92698906
O        2.86647000       4.98984000       7.33562000       0.09866743      -0.57785152      -0.39330177
O        3.04648000       1.64540000      16.74487000       0.73260001       1.56037770       2.77412620
O       -0.12751000       3.37437000      26.43988000      -2.11572618       0.41034798       1.52916664
O        5.78128000       0.00158000       0.53164000       0.72193161       0.47499527       0.48971409
O        3.04265000       1.69291000      10.07943000      -0.96394095      -1.05850745      -1.80644655
O        0.13414000       3.32404000      19.44038000      -0.55231991       0.53208192       0.84958527
O        0.23995000       1.63247000      16.90097000      -0.92076667      -1.02541282       0.23972542
O        1.79056000       4.31558000      16.87142000      -1.54202199       2.09668912       1.31457233
O       -1.39478000       4.35267000      16.89156000      -0.02273721       1.10861026       1.65706872
O        2.76787000       3.32155000      26.48150000       0.16392238      -1.55502530       0.04126915
O        1.46308000       0.90202000      26.54930000      -1.54528531       1.24288161       0.69917099
O        4.07723000       0.83635000      26.53607000      -0.11914051       0.78802372       1.13293347
O       -0.08727000       4.92055000       7.25102000      -0.30005298      -0.23971083       1.63330288
O       -1.38186000       2.53470000       7.46622000       0.75682496       0.08144088      -1.09630557
O        1.32656000       2.48610000       7.15382000       0.40842712       0.44292338       2.13729826
Zn       5.70523000       0.01201000      27.15753000       0.49056057       0.12247309       0.63227724
Zn       2.92980000       1.65508000       8.06587000      -0.32271679      -0.25905437      -0.00167824
Zn       0.22354000       3.39349000      17.53742000      -0.76771140       1.06652889       0.18651154
Zn       5.76979000       0.03284000      23.50175000       0.76869768      -0.18937196       0.96050017
Zn       2.95320000       1.58210000       4.60724000       0.33308373       0.47083517      -0.91678909
Zn       0.24292000       3.44740000      14.14881000       0.41442413       0.16542145      -0.02138268
Zn       0.06852000       0.10393000      13.16962000       0.12455060      -0.39039041       0.63579612
Zn       3.21468000       1.62606000      22.57545000      -1.52105913       0.01291464       0.70208508
Zn      -0.17391000       3.48932000       3.86964000       0.50470749      -0.01543001      -0.77988376
Zn      -2.81574000       5.02061000       9.35455000      -0.79053844      -0.04083612      -0.36882601
Zn       2.75521000       1.90093000      18.79845000       0.91154877      -1.09832013      -0.14187561
Zn      -0.12077000       3.56724000      28.50829000      -1.46786831      -0.44022292      -1.20770795
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.63603696 magmom=72.0024584 free_energy=-552.6360845 stress="-0.04602108706540927 -0.0023313268409415056 0.0018348935578226607 -0.0023313268409415056 -0.041523690376146574 -0.0026630101042602857 0.0018348935578226607 -0.0026630101042602857 -0.04029265681567983" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55593000       0.79151000      15.72232000       1.11631435       1.05283900       1.42989735
Cr       4.68390000       0.98070000      15.80050000      -2.12542807      -1.17342880      -0.22114447
Cr       3.12410000       3.41993000      15.85964000       0.41152621       1.20173779       0.33161572
Cr       4.14583000       2.45065000      25.40913000       2.76017515       0.29752295      -1.27480193
Cr       1.33349000       2.63409000      25.50068000      -1.49201557       0.27126554      -2.21480786
Cr      -0.17578000       5.05609000      25.43555000      -0.43839134       1.85405280      -0.59531797
Cr       1.28798000       4.15262000       6.20674000       0.51907534       0.87885546      -0.39518421
Cr      -1.59373000       4.13882000       6.15080000       1.94044326      -0.12507084       1.75171956
Cr      -0.13055000       1.44193000       6.37983000       2.67986632       2.20043156      -0.05261640
Cr       5.83000000       0.09950000      18.23169000       3.00482377      -0.22687097       0.12679398
Cr       2.61549000       1.72215000      27.79668000       3.32460271      -0.51709369       0.03003424
Cr       0.06924000       3.27344000       8.60500000      -1.03782082       2.07196376      -0.30484413
Cr       5.82680000       0.08037000       3.90871000      -0.59962387      -0.99762246       1.61492870
Cr       3.12969000       1.66901000      13.44358000      -0.03956521       0.56709633      -1.15432821
Cr       0.06228000       3.41282000      23.05850000      -2.01056318      -1.04949995      -0.15095585
Cr       0.08803000       1.71693000      20.59896000       1.16790624      -1.26406432       1.54336441
Cr       1.48584000       4.31114000      20.56122000       0.65572567      -0.95288647       1.08557680
Cr      -1.31822000       4.14340000      20.57893000      -2.92639217       1.03305429      -0.63292487
Cr       3.15609000       3.40145000       1.62666000      -2.09817629       1.20716490      -0.03951482
Cr       1.38941000       1.10346000       1.71949000      -1.05625843      -1.63074980       0.25481854
Cr       4.33146000       0.69483000       1.53844000      -0.02726799       2.41011997       1.83772655
Cr       0.18339000       5.07765000      11.01641000      -5.24527378       0.91313970       0.28582942
Cr       4.39693000       2.58072000      11.02399000       1.52074805      -1.30906686      -1.42506267
Cr       1.48489000       2.55752000      11.07163000       0.66498485      -0.97995123       0.27047135
O        1.47001000       0.74884000      19.58253000      -0.82290210      -0.35147836      -0.81096047
O        4.60468000       0.85341000      19.49238000      -1.06356628       0.62207773      -0.36907953
O        2.88221000       3.66306000      19.29468000       1.02952925      -0.40822629       1.72218321
O        4.27369000       2.41752000       0.37430000      -0.64756227      -0.42832551       0.23747813
O        1.56202000       2.55664000       0.44648000      -1.32931057       1.92353408       1.02634314
O        2.72862000       0.29790000       0.57200000       0.18975985      -1.74636214      -1.30425833
O        1.32238000       4.20145000       9.94638000       2.16863696      -1.45642701      -2.12982185
O       -1.29234000       4.04499000       9.83912000       0.04870415       1.45793231      -0.04330604
O        0.08130000       1.83786000       9.88847000      -0.38932250      -0.93732159       0.14048483
O        1.66407000       0.94840000      12.26640000       0.39534940      -0.21140389       0.07803439
O        4.36904000       0.86068000      12.06702000       1.37480355       0.46038381       1.96090594
O        3.11925000       3.21526000      12.21324000      -1.98085497       1.28525518       1.02659963
O       -1.20119000       2.54791000      21.79013000      -0.86236962       0.30647555      -0.58646378
O        1.37398000       2.61890000      21.94640000       1.07950981      -0.38123794      -1.87327955
O       -0.02768000       4.95506000      21.69806000       0.90400962      -0.41841454       0.71902507
O        1.54252000       4.31498000       2.86242000      -0.41442046      -0.03415717      -1.71873093
O       -1.62686000       4.30719000       2.89228000       0.77151231       1.13742258      -0.99146884
O       -0.13115000       1.66376000       2.83366000      -0.10183590       0.30175635      -0.84181200
O        1.26399000       0.72458000       5.20867000      -0.03084060       0.04229497      -0.58452528
O        4.44150000       0.76619000       5.30771000      -0.92099662      -0.58206403      -1.89690146
O        2.81282000       3.58757000       5.10846000      -0.21515389      -1.40799752      -0.47142285
O       -1.30673000       2.54484000      14.72375000      -1.19369715       0.56686853      -0.45049151
O        1.83643000       2.50157000      14.67033000       0.31360355      -0.27114780       0.39749445
O        3.12798000       0.22618000      14.75875000       0.52672629      -1.27597734      -0.85359859
O        1.19927000       4.28843000      24.23954000       1.38170770      -0.06784849       1.56752531
O       -1.40970000       4.17238000      24.25629000      -0.87427437      -0.94219678      -0.56323048
O       -0.02763000       1.69743000      24.38073000      -0.89315224       2.58362627      -0.05433592
O        2.89130000       4.94634000      21.62118000       1.85451488       1.33321172       0.08626577
O        2.86488000       1.84975000       2.67408000       1.02858359      -1.32564578       0.18304605
O       -0.01766000       3.35582000      11.94997000       0.81516074       0.81319427       2.90229696
O        2.98224000       4.92922000       7.37620000      -1.14414265      -0.39959518       0.38730911
O        3.06475000       1.82497000      16.93759000       0.32400608      -0.69605437      -1.13676518
O       -0.27547000       3.50982000      26.50908000       0.62749540      -1.48447765       0.44847275
O       -0.00165000       0.09146000       0.63106000       0.37222043      -0.88475452      -0.87534773
O        2.86865000       1.74385000       9.97576000       1.08585063      -0.58635504      -0.05316623
O        0.24405000       3.36313000      19.47585000      -1.99603210      -0.34204204      -0.28349507
O        0.18012000       1.49362000      16.94466000       0.45179362       2.47109589      -0.16655258
O        1.70497000       4.50170000      16.88449000       0.17839592      -1.52722472      -0.35537526
O       -1.39872000       4.49785000      17.05871000      -1.49923771      -1.11454328      -0.92337425
O        2.82512000       3.21537000      26.50198000      -0.58074241       1.82672490       1.47141421
O        1.36034000       1.02377000      26.45874000       0.42890548      -1.28515482       1.12932044
O        3.97802000       0.88559000      26.63872000       1.30177547      -0.23795250      -0.16715197
O       -0.13903000       4.94715000       7.28204000       0.39807824      -0.66423520       0.97050632
O       -1.25158000       2.52464000       7.36529000      -2.24607572       0.58262380       1.03878529
O        1.29201000       2.58433000       7.24743000       0.51911006      -1.34407132       1.17887824
Zn       5.82695000       0.06003000      27.24678000      -1.15393698      -0.35874633       0.04525853
Zn       2.92047000       1.75672000       8.02214000      -0.01324865      -0.62602782      -0.36896071
Zn       0.16323000       3.44717000      17.44315000      -0.08242411      -0.22734053       0.75717970
Zn       5.83019000       0.04130000      23.54569000       0.37336672      -1.04743201      -0.03501733
Zn       2.85737000       1.59799000       4.59788000       0.04381401       0.94375879       0.05057575
Zn       0.31237000       3.39943000      14.12943000      -1.06126913       1.16738522      -1.40901126
Zn       0.04945000       0.08663000      13.11012000       0.50683183      -0.41611849       0.08148944
Zn       3.18240000       1.56287000      22.55686000      -1.17217825       1.00463194       1.00346317
Zn      -0.06538000       3.45361000       3.87872000       0.11845295      -0.20965233       0.01036050
Zn       2.98961000       5.03165000       9.41741000       0.51940648       0.27916136      -0.80914951
Zn       2.84326000       1.85397000      18.87738000       0.68062104      -1.14923479      -0.20650987
Zn      -0.12296000       3.51908000      28.53382000       0.20789606       0.00489126      -0.38840516
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.03002941 magmom=72.0002701 free_energy=-552.03002941 stress="-0.03156323406139169 -0.004294081695290708 -0.002888024734557405 -0.004294081695290708 -0.04837458879614679 0.011540461887883267 -0.002888024734557405 0.011540461887883267 -0.035058861551701404" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53995000       0.76246000      15.71982000       1.05323464       1.08149761       0.99277986
Cr       4.67174000       0.91421000      15.81144000      -1.88667169       0.42757497      -0.83107460
Cr       3.15196000       3.38982000      15.80336000      -1.63611606       0.88875736      -0.30385675
Cr       4.29511000       2.59283000      25.44560000      -2.33854480      -1.48713929       2.69715262
Cr       1.42604000       2.61697000      25.50446000      -1.83621313       0.62502380      -0.74418097
Cr      -0.13701000       5.10614000      25.33672000       0.04097096       0.80002882       1.69763742
Cr       1.32293000       4.13346000       6.22979000      -0.25479121       0.87296992       0.83872163
Cr      -1.54194000       4.13194000       6.22256000      -0.63641155       0.64561075      -0.25961077
Cr      -0.11171000       1.52020000       6.45733000      -0.34523768       0.09516888      -0.98614611
Cr       0.00491000       0.08634000      18.25082000      -1.72859597      -0.27752035      -1.14922185
Cr       2.62970000       1.63772000      27.75182000       2.92151591       1.62203830       2.80519211
Cr      -0.01588000       3.43235000       8.57683000      -0.87131969      -1.52468891       2.01148420
Cr       5.72524000       0.04921000       3.86912000       0.02274191      -1.01552481       1.15410433
Cr       3.09130000       1.62864000      13.36139000       0.04340544       0.81117551       1.24444110
Cr      -0.05078000       3.36504000      23.06222000       1.85553915      -0.12998198       0.41946874
Cr       0.17720000       1.67612000      20.73636000      -1.12337300       0.03170682      -1.94874721
Cr       1.56290000       4.30448000      20.59293000      -0.62685442      -0.74356316       1.80367268
Cr      -1.30840000       4.21281000      20.44315000      -1.94882844      -0.21476650       3.16884487
Cr       3.10337000       3.48136000       1.62139000      -0.55358177      -1.74303053       0.95254860
Cr       1.39195000       0.98389000       1.69984000       1.24436888       0.28931525       0.72714749
Cr       4.30456000       0.73725000       1.53237000      -0.23682607       1.13210114       0.58047410
Cr       3.04726000       0.00414000      11.03266000      -0.89429887       1.79411250      -1.20282228
Cr      -1.43085000       2.61023000      10.93892000      -1.68747760      -0.53438379       1.36826781
Cr       1.37244000       2.58021000      10.96438000       3.38402811       0.01922347       1.91965139
O        1.38238000       0.64108000      19.31686000       1.69949556       1.81106670       1.68486748
O        4.57849000       0.90400000      19.58091000       0.64059572      -0.93760028      -0.47588705
O        2.90982000       3.55229000      19.56158000       1.50426293       0.17842369      -1.94953352
O        4.35753000       2.31981000       0.58714000      -1.04062587       2.08332082      -2.13954012
O        1.60701000       2.61813000       0.62716000      -0.68492609      -0.19391776      -1.76608752
O        2.72333000       0.17694000       0.43475000       0.39831934       0.25599343       0.04503665
O        1.34259000       4.15989000       9.72879000      -0.61950984      -0.12720851       1.67721037
O       -1.27538000       4.25843000       9.87126000      -0.48775434      -0.45346552       0.23866530
O        0.08040000       1.82831000       9.86823000      -1.78057940       0.18194230      -0.51353611
O        1.70907000       1.04943000      12.16066000      -1.07112255      -1.31144483      -0.13830496
O        4.48692000       0.91176000      12.09233000      -0.74107114       0.44565747      -0.22490216
O        2.96804000       3.30071000      12.40757000      -0.04923855       0.01277217      -2.41305623
O       -1.17415000       2.49703000      21.88454000      -1.78085521      -0.12727369      -1.57109669
O        1.41828000       2.54705000      21.83844000       1.32488650       0.91338933       0.57926083
O        0.13729000       4.85536000      21.75680000      -1.04000572       0.83327058       0.04103075
O        1.44062000       4.34104000       2.63888000       1.01438483      -1.51148954       1.45655220
O       -1.43219000       4.41650000       2.89820000      -1.95187105       0.27042610      -0.55004540
O       -0.22423000       1.55766000       2.69225000       1.16079884       0.76630120       1.11930307
O        1.07667000       0.67600000       5.22953000       1.88809334       0.84069890      -0.40540376
O        4.31878000       0.80845000       5.23591000       1.22248628      -1.17576593       0.47793508
O        2.74925000       3.54611000       5.16194000       0.99490199      -0.70937373      -0.88471224
O        4.37296000       2.41900000      14.60082000       1.84285820       1.04662541       0.31037259
O        1.79140000       2.37904000      14.77425000      -0.18680260       0.76140687      -1.66064038
O        3.15058000       0.07427000      14.68457000      -0.28946557       0.52773095       0.19090437
O        1.25062000       4.18604000      24.33191000       0.86772024       0.57599487      -0.41269210
O       -1.46140000       4.03047000      24.24950000      -0.24017503       2.32703859      -0.80376921
O       -0.21796000       1.91671000      24.47301000       2.68569475      -1.90518394      -2.32560041
O       -2.74585000       5.09964000      21.59739000      -0.50988832      -0.85203247       1.14933372
O        2.94549000       1.81672000       2.68534000      -0.33584368      -0.70821146      -0.48415739
O       -0.11480000       3.56176000      12.07537000       1.26224354      -1.86220343       0.35936129
O        2.89801000       4.84068000       7.37422000      -0.52127137       0.96914170       0.10772590
O        3.15987000       1.90232000      16.92452000       0.07172956      -2.06331292       0.14471870
O       -0.31536000       3.43045000      26.56715000       1.82627308       0.70417618      -0.53009800
O        0.11106000       0.03487000       0.64643000      -1.35146825      -0.07183769      -0.99903714
O        2.87721000       1.65855000       9.89735000       0.94840948       0.98459965       1.19840126
O        0.04886000       3.34520000      19.57483000       1.87295798      -0.29843226      -1.58100507
O        0.19365000       1.69612000      16.92009000      -0.29837781      -1.71808430      -0.16317917
O        1.65886000       4.46371000      16.88410000       0.82405801      -0.84379213       0.58282877
O       -1.67680000       4.46899000      17.00130000       1.98803386      -1.44785380      -0.20798612
O        2.82758000       3.35596000      26.68256000      -0.30902830      -1.02084627      -0.81490704
O        1.35080000       0.98494000      26.50268000       1.43831437      -0.33535812      -0.94392970
O        4.12317000       0.93453000      26.66489000      -0.61549414      -0.24904820      -1.26041968
O       -0.11245000       4.82682000       7.43130000       0.10512741       2.46861286      -1.95785391
O       -1.41016000       2.61513000       7.38549000       0.52047451      -0.55650806       0.67440950
O        1.26879000       2.52898000       7.49549000      -0.60531009      -0.01336764      -1.85116720
Zn      -0.01906000       0.08454000      27.34196000      -1.82549042      -0.57954129       0.08021201
Zn       2.91267000       1.81840000       7.96725000      -0.00097658      -1.49732999       0.51809265
Zn       0.09328000       3.49737000      17.38532000      -0.53258520       0.70910161       1.21073174
Zn       0.00830000       0.00956000      23.59785000      -0.66020851       0.38794900       0.17720318
Zn       2.76474000       1.66772000       4.58180000      -0.62145827       0.01804885      -0.20551815
Zn       0.33929000       3.40529000      14.04104000      -0.97677312      -0.63542300      -0.47329556
Zn       0.05867000       0.04910000      13.07689000       0.76025920      -0.09581386       0.64744550
Zn       3.08612000       1.55070000      22.59452000      -0.49289148       0.52635843       0.65824085
Zn       0.05110000       3.40735000       3.89019000      -0.56824216      -0.05062920      -0.75447867
Zn       2.92246000       5.05975000       9.43752000       0.97960036       0.32734045      -1.07062819
Zn       2.96839000       1.74459000      18.93506000       0.02683168      -0.15532593      -0.88148951
Zn      -0.12626000       3.46757000      28.53545000       0.35983605      -0.88541814       0.12818615
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.2419065 magmom=72.0471754 free_energy=-553.24507248 stress="-0.04482165589468075 0.0018847879695636615 0.002257075807406514 0.0018847879695636615 -0.039289632817490684 0.0026071444095310072 0.002257075807406514 0.0026071444095310072 -0.03810788974034192" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.58456000       0.79696000      15.79248000       0.64776365      -0.24942255      -0.27857916
Cr       4.56236000       0.84061000      15.81039000       1.28985277      -0.34575579      -1.72969601
Cr       3.08539000       3.38985000      15.74435000      -0.66067380      -1.00478159      -0.73116239
Cr       4.35207000       2.64975000      25.60279000      -0.06076843      -0.01143260      -2.55041264
Cr       1.44601000       2.61643000      25.51490000      -0.57032318      -0.49217319      -1.50460673
Cr       2.87509000       0.10948000      25.35064000       1.16921016      -1.92811537      -1.77165555
Cr       1.34331000       4.15976000       6.28803000       0.16111911      -0.78323463      -0.76424250
Cr      -1.51235000       4.16639000       6.29444000      -1.60933299       1.38594578      -2.03927621
Cr      -0.10314000       1.60723000       6.45856000      -1.96640838      -1.52058272      -2.63466711
Cr       0.01477000       0.04551000      18.23493000       1.15962660      -0.35878482      -0.33990592
Cr       2.80365000       1.65000000      27.79027000       0.36787703       1.70434129       0.34118028
Cr      -0.15235000       3.54123000       8.64901000       1.26724349      -1.21231800      -0.15010972
Cr       2.69430000       5.07243000       3.90800000       2.49771659       0.52577820       0.44913418
Cr       3.05183000       1.65701000      13.33598000       0.13584006       0.63091283       0.58907833
Cr      -0.08455000       3.30989000      23.05385000       1.27563644       1.43330447      -1.30099116
Cr       0.21074000       1.63776000      20.75180000      -0.92271040       2.26869853      -1.74673626
Cr       1.63890000       4.25172000      20.68563000      -0.61718674      -0.85694050       0.23176133
Cr      -1.38762000       4.27243000      20.45593000       3.66002200      -1.50925625       3.11951912
Cr       3.00000000       3.46097000       1.64962000      -0.78698667      -1.11918856      -0.71163414
Cr       1.44584000       0.88905000       1.67262000      -1.09026053       1.38921301      -2.22509433
Cr       4.28609000       0.85912000       1.56019000       2.25181146      -1.55549844      -0.92814491
Cr       2.88454000       0.12982000      11.00706000       3.52834747      -2.22038865       0.63273402
Cr      -1.45651000       2.60729000      10.94712000      -0.55910351       1.79542525       3.42844830
Cr       1.44774000       2.57798000      10.96893000      -0.65614490       0.35412368       0.76065710
O        1.50293000       0.78682000      19.35804000      -1.32652373      -0.38626014       0.38635778
O        4.68328000       0.77330000      19.60136000       0.58319948      -0.30802962      -0.69163187
O        3.13622000       3.52313000      19.52258000      -2.15247790       0.20635347      -2.00505803
O        4.18622000       2.50432000       0.48682000       0.52452309      -0.85788083      -0.94722316
O        1.55052000       2.64488000       0.53700000       0.50825215      -1.87833919      -0.56518442
O        2.82878000       0.13581000       0.32229000       0.10381898       0.27955957       1.52275246
O        1.27461000       4.06519000       9.77306000       0.72333260       2.02095779       0.51495544
O       -1.33362000       4.36438000       9.92453000      -1.25150442      -0.56270022      -0.66488367
O       -0.18050000       1.91153000       9.80334000       1.93883536      -0.50108608      -0.55907739
O        1.61465000       0.95601000      12.05096000      -1.03917281       0.19831897       1.74708318
O        4.43250000       1.07329000      12.10191000      -0.26403004      -1.51173605      -0.11013352
O        2.80436000       3.31178000      12.15356000       1.35030041      -0.05487291       0.03217798
O       -1.35169000       2.49062000      21.71480000       1.07279253       0.51742394       0.38375345
O        1.59922000       2.63354000      21.75841000      -1.27530412      -0.41606607       0.69119782
O        0.13465000       4.82155000      21.81483000      -0.30801164       0.94992401      -0.54906689
O        1.54463000       4.21376000       2.61882000      -1.72009442       0.70716517       1.35154111
O       -1.67801000       4.55025000       2.77596000       0.81042639      -3.00726765       1.37096413
O       -0.11191000       1.51090000       2.72303000      -0.44462977       1.44086087       0.74502298
O        1.17166000       0.74144000       5.18668000      -0.41413099      -0.52760803       0.64903715
O        4.43663000       0.61206000       5.23351000      -1.33810055       2.00064093      -0.14950654
O        2.84860000       3.45829000       5.11144000       0.33315182       1.00913066       1.07978553
O        4.39258000       2.47144000      14.55180000       0.60047799      -0.08095096       0.41342444
O        1.77629000       2.33329000      14.62104000      -0.62068999       0.88178239       0.29645930
O        3.11300000       0.08119000      14.66291000      -0.14944007       0.16169696      -0.15972751
O        1.40147000       4.18023000      24.41284000      -0.77098807       0.65500122      -1.32908919
O       -1.43515000       4.15255000      24.19782000       1.51103240      -0.53175356       1.53781002
O       -0.05446000       1.91433000      24.27418000      -0.14785354      -1.46342707       1.67918196
O        0.36492000       0.03185000      21.73481000      -1.71488855      -0.74776604      -0.35397236
O        2.95742000       1.64655000       2.56813000      -0.85174999       1.27058339       2.23537264
O        0.04695000       3.49093000      12.12458000      -0.63620676       0.05044321      -2.67564643
O        2.73221000       4.95010000       7.34088000       1.58575375       0.43079426       0.86100677
O        3.24311000       1.65712000      16.82045000      -1.97533725       0.49113168       1.04043089
O       -0.02944000       3.44540000      26.47204000      -0.31049352       0.42921730       1.07955728
O        2.93813000       5.07702000       0.61508000      -0.24656125       1.31369644       0.71417749
O        3.04628000       1.77272000      10.03779000      -1.86900239      -0.07018567      -2.67845163
O        0.08447000       3.33207000      19.50382000       0.73739739       0.51669266       0.07214403
O        0.18249000       1.61368000      16.83412000      -0.78407512      -0.49624874       0.77102608
O        1.77091000       4.26641000      16.94010000      -0.77003067       0.69965877      -0.29523151
O       -1.62429000       4.25345000      16.89659000       0.18830247       1.78431772       0.45483018
O        2.79633000       3.34262000      26.70009000       1.03364649      -0.58114135      -0.15056321
O        1.57000000       0.85939000      26.44479000      -1.72554207       0.96185596       1.69477113
O        4.19570000       0.94505000      26.45843000       0.63666901       0.21207040       1.99189075
O       -0.05853000       5.00408000       7.28483000      -0.71103148       0.23044653       1.15541947
O       -1.45379000       2.69517000       7.50253000       0.28377376      -0.63161154      -0.73480466
O        1.12824000       2.51863000       7.42813000       1.91255208       1.21448251       1.25992987
Zn       5.84646000       0.08375000      27.42061000      -0.26867947      -0.08377793      -2.44858293
Zn       2.88950000       1.79828000       7.94321000      -0.99869639      -0.81336801       0.96208583
Zn      -0.00113000       3.57188000      17.39211000       1.49643514      -1.40148991       1.56298463
Zn       0.04718000       0.00026000      23.65572000      -1.49994689       0.76048319       0.10713697
Zn       2.64455000       1.72693000       4.55464000       1.22090600      -1.57638851      -0.77760792
Zn       0.30955000       3.38509000      13.94140000      -0.79761254      -0.30290485       1.13704150
Zn       0.10470000       0.00442000      13.08417000      -0.33641939      -0.03064166       0.43637268
Zn       2.96137000       1.56827000      22.67583000       0.52832804      -0.02658253       0.48215982
Zn       0.14213000       3.35601000       3.88055000      -0.95028628      -0.16808954      -0.71172754
Zn       2.89631000       5.10386000       9.40149000      -0.82662372       0.21908146      -0.55999497
Zn       3.10310000       1.62213000      18.94391000       0.54618974       1.05395535      -0.68999044
Zn      -0.10525000       3.37250000      28.53292000       0.35387143       0.03057849      -0.75828485
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.40618377 magmom=71.9991822 free_energy=-552.40618377 stress="-0.057711487459997275 0.003099633988867153 0.004801661371240501 0.003099633988867153 -0.035089584325558525 -0.006758927461188928 0.004801661371240501 -0.006758927461188928 -0.04259120508569588" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.63913000       0.82090000      15.86384000      -2.30231433      -0.07734622      -2.48439967
Cr       4.52327000       0.75054000      15.75742000       0.62183287       0.05772216      -0.81604325
Cr       2.98554000       3.35437000      15.65905000       1.68039500       0.56597751       0.73499406
Cr      -1.51562000       2.68126000      25.67086000       3.27369361       0.22065270      -3.58423242
Cr       1.45693000       2.57904000      25.48541000       0.54524839      -0.55958329      -1.14386597
Cr       2.99846000       0.15250000      25.33399000       0.53677356      -0.65426158       0.91721050
Cr       1.35884000       4.17543000       6.31604000      -0.01806556       1.37740777      -0.46671383
Cr      -1.55324000       4.27389000       6.27559000       0.87391366      -0.44112350       1.20323566
Cr      -0.17883000       1.64642000       6.33370000       0.39768549       1.38119848       0.11990468
Cr      -2.87461000       5.08457000      18.19059000       1.62995128      -0.27626563      -1.00461833
Cr       2.99330000       1.74320000      27.81486000      -2.84593057      -2.94958804      -1.79224713
Cr      -0.20871000       3.56069000       8.73157000       1.87975206      -0.00183163      -2.22573993
Cr       2.75216000       5.02470000       3.98601000       1.37192403       1.52477461      -0.04923674
Cr       3.02466000       1.72607000      13.34958000      -0.22473527      -0.42744169      -0.21262713
Cr      -0.03926000       3.32311000      22.99387000       1.37334286       0.37503652       1.02142760
Cr       0.17923000       1.71195000      20.64256000      -0.19087226      -0.38276715      -0.27481574
Cr       1.68397000       4.16580000      20.75732000       0.01501663       1.34721734      -2.36154624
Cr      -1.32078000       4.25175000      20.60039000      -0.21090670       0.10083397      -1.56247549
Cr       2.83885000       3.37313000       1.64049000      -0.63723847       0.72766259      -0.17123056
Cr       1.44612000       0.85212000       1.55684000      -1.45756180      -1.43527052       2.14031787
Cr       4.35383000       0.92458000       1.56152000      -0.53627336       0.31087460       2.98132121
Cr       2.88243000       0.14788000      10.99881000       0.37752910      -0.89412098      -0.70157463
Cr      -1.51486000       2.66447000      11.09275000       1.08784411      -0.94114596      -3.71192932
Cr       1.49356000       2.58680000      10.98546000      -1.61780782      -0.34856255      -2.56300856
O        1.49587000       0.88089000      19.54816000       0.82491902      -1.36320433      -1.14580660
O        4.86373000       0.60487000      19.53938000      -2.27072701       1.71000137       0.37545874
O        3.10243000       3.53644000      19.23020000       0.74994217      -1.30391732       2.60344843
O        4.12893000       2.64897000       0.27445000       1.84833370      -0.00725593       2.86247782
O        1.58102000       2.34620000       0.33138000      -0.81866832       1.38441675       0.89501081
O        2.95341000       0.16943000       0.46694000      -0.12255818      -0.77527838      -0.60821513
O        1.25915000       4.27766000       9.94800000      -0.09299662       0.00797893      -1.05281868
O       -1.49405000       4.33173000       9.92969000       0.60649774       0.09029047       0.44373364
O       -0.17875000       1.99152000       9.74960000       0.93134167      -1.01382749       1.53459752
O        1.46475000       0.89688000      12.17681000       1.58166964       1.29863379      -0.14577164
O        4.25911000       1.00954000      12.08729000       1.00170692      -0.82484952       0.62366770
O        2.91085000       3.29402000      11.97793000      -0.54866763       1.25991007       3.68941227
O       -1.27508000       2.60253000      21.61024000      -0.39676655      -0.64218681       1.35726148
O        1.50235000       2.65001000      21.82284000      -0.69648385      -1.38663017       0.97477950
O        0.07385000       4.90228000      21.77676000       0.65087613       0.43143424       0.57646160
O        1.47770000       4.21927000       2.79620000      -0.27967671       0.86725909      -1.49928182
O       -1.83757000       4.26648000       2.76634000       1.81244151       0.44491273      -0.29653243
O       -0.03509000       1.60865000       2.84882000      -0.38500002      -0.71965771      -1.34637723
O        1.17353000       0.71617000       5.25468000      -0.24907475       1.01975816      -1.47686428
O        4.38995000       0.69770000       5.20618000      -0.45326416       0.67548302      -0.46773016
O        2.97613000       3.54022000       5.23824000      -2.03964264      -1.70120334      -0.76353076
O       -1.42327000       2.48080000      14.61359000      -0.71209571      -0.37202637      -0.33355931
O        1.70173000       2.41819000      14.54529000      -0.19071578      -0.05560973       1.25376106
O        3.03738000       0.19372000      14.62421000       0.04772602      -1.34041507      -0.86753517
O        1.37043000       4.22876000      24.27729000       0.03364718      -0.59662689      -0.17099470
O       -1.15059000       4.19409000      24.37360000      -2.80039179      -0.41876843      -1.04096527
O        0.14980000       1.78286000      24.28799000      -1.13753411       1.49323432       0.34977111
O       -2.75434000       5.04577000      21.73473000      -0.03080500       0.41831800      -0.00958469
O        2.84668000       1.65096000       2.65883000       0.44350131       0.46122585      -1.36699144
O        0.06721000       3.43868000      11.79728000      -1.11917585       1.20101342       4.54414061
O        5.76213000       0.02636000       7.36604000       0.17173088      -0.91610612      -0.08901866
O        3.04738000       1.46551000      16.84185000       1.39133740       1.63003622       1.22583915
O        0.18058000       3.54500000      26.49216000      -1.71780579      -0.12373986       0.82911670
O        5.72911000       0.08257000       0.69603000       1.59915008      -1.26066189      -1.96686620
O        2.94840000       1.87575000       9.86365000      -0.22395365      -0.97004101       1.49576705
O        0.26072000       3.42455000      19.50351000      -0.96786967      -0.08860542       0.43409481
O        0.05032000       1.38948000      16.84316000       0.37527478       2.24040376       0.75749263
O        1.78374000       4.19657000      16.90704000      -1.55109645       0.57668734      -0.31426875
O       -1.58601000       4.34101000      16.81319000       0.04727841      -1.11340065       0.45410547
O        2.90370000       3.24563000      26.60807000      -0.55217809       1.79035011       0.75769254
O        1.56796000       0.86888000      26.57892000       0.48805602       0.61572788      -0.16955906
O        4.34146000       0.97560000      26.52669000      -0.33161093       0.22897004       0.63221508
O        2.83953000       0.03855000       7.21695000       0.26516670      -1.90502678       1.21825060
O       -1.37435000       2.70791000       7.43047000      -1.36003817      -0.17845773      -0.07047034
O        1.18194000       2.68479000       7.45488000      -0.31349835      -0.71260528       0.27611522
Zn       5.79306000       0.07761000      27.38951000       0.88778330      -0.50910510      -0.81036976
Zn       2.81868000       1.74103000       7.97333000       0.29752188       0.94212234      -0.08884298
Zn      -0.01577000       3.58067000      17.48454000       1.15964094      -1.42065548       0.87374636
Zn       0.02407000       0.01498000      23.71845000       0.52193786      -0.99723652      -0.41650634
Zn       2.58712000       1.71894000       4.50480000       1.39575185      -0.05559368       1.29736677
Zn       0.23272000       3.34995000      13.87988000      -1.34920403       0.93825461      -0.55810333
Zn      -2.81724000       5.06751000      13.12564000      -1.13541106      -0.33724699       0.58510347
Zn       2.86015000       1.58574000      22.78871000       0.66918792       0.08399996       0.23660328
Zn       0.17651000       3.29908000       3.85552000      -1.61023738      -0.08111622       0.82174286
Zn       5.78371000       0.05395000       9.32931000      -0.43803073       0.78960281      -0.33212017
Zn       3.25440000       1.54944000      18.91172000      -0.60652530       0.64817012      -0.12835300
Zn      -0.06170000       3.27663000      28.49801000       1.07608677       1.34281127      -0.43430299
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.1403663 magmom=71.9997678 free_energy=-553.1403663 stress="-0.03996685792857626 -0.002423042016467302 -0.00998900735551165 -0.002423042016467302 -0.0278315568153371 -0.0016619874646968762 -0.00998900735551165 -0.0016619874646968762 -0.03928098495693641" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57206000       0.83504000      15.82906000      -0.55133439       0.39693867      -1.02725277
Cr       4.54496000       0.67527000      15.68061000      -1.16601351       2.24140496      -0.00387529
Cr       2.98560000       3.36429000      15.64267000       0.74783043      -0.06287184       1.75524071
Cr      -1.35939000       2.70456000      25.59874000      -0.17114811       0.04597990      -1.43527719
Cr       1.51854000       2.51767000      25.43536000       0.87429428       1.93578622       0.50089573
Cr       3.12619000       0.14174000      25.36690000      -1.68567075      -0.82181455       0.47402818
Cr       1.35891000       4.25555000       6.31476000      -0.11030420       0.85723754      -0.54002131
Cr      -1.56340000       4.34110000       6.29454000      -0.56322268      -1.50222991      -0.57323150
Cr      -0.24352000       1.75785000       6.21861000       0.94581996       0.98821475       1.05307653
Cr      -2.73435000       5.00744000      18.12632000      -1.84271557       0.41924334       1.68182608
Cr       3.05704000       1.72537000      27.75204000      -2.00112542       0.37519929       3.44539348
Cr      -0.15559000       3.54507000       8.69532000      -0.20953919      -1.11185159       0.09777854
Cr       2.88048000       5.04983000       4.01437000      -2.01649458      -0.89862509      -3.39286344
Cr       2.99004000       1.75620000      13.36832000       0.05737802      -1.00881156       1.33872446
Cr       0.05799000       3.37101000      22.99861000      -1.84860285       0.70093721       0.97054786
Cr       0.13451000       1.75353000      20.51226000      -0.02187621      -2.28218372       1.94959262
Cr       1.71100000       4.14645000      20.69609000      -0.70287602       0.32910614      -0.62300877
Cr      -1.26742000       4.23868000      20.66039000      -1.70122743       0.51322920      -0.33420227
Cr       2.67478000       3.33853000       1.60369000       1.39851675       2.35729323      -0.86728264
Cr       1.37702000       0.74167000       1.53605000       1.41866341      -1.08427450       0.89021202
Cr       4.39509000       0.97955000       1.65492000      -1.14484723      -0.72653000      -0.48851702
Cr       2.91188000       0.10854000      10.98572000      -2.04492596       0.66747776       2.63495538
Cr      -1.52294000       2.68329000      11.08317000      -0.50123991      -1.24677395       0.55115437
Cr       1.42590000       2.60786000      10.90870000       0.31690835       1.78152105       4.02297117
O        1.53543000       0.71224000      19.54840000       0.01650612       0.47352420      -1.62402380
O        4.76858000       0.66281000      19.50693000       1.78379582      -1.32885921      -0.12018454
O        3.15284000       3.42293000      19.37498000       0.21599166       0.70324731       0.71742561
O        4.25605000       2.66506000       0.52345000      -0.78456999      -1.46656381      -0.56090824
O        1.53988000       2.24472000       0.30858000       0.36924174       1.08641826       0.63283245
O        3.01635000       0.09018000       0.55456000      -0.36675264       0.49630562      -1.42266773
O        1.21843000       4.41632000       9.90078000       0.54875435      -2.10039997      -1.44068879
O       -1.49642000       4.27432000       9.97094000      -0.25026179       0.47916110      -1.02951961
O       -0.00005000       1.98534000       9.92354000      -1.79298254      -0.58638602      -1.11296073
O        1.60055000       1.09581000      12.25512000      -1.29618568      -0.58402279      -1.59543099
O        4.22903000       0.85796000      12.14992000       1.43586108       1.45065469      -0.37621282
O        3.00568000       3.38088000      12.33572000      -0.51292054      -0.88559754      -2.36701091
O       -1.18822000       2.63331000      21.74637000      -1.27966426      -0.83500501       0.00816648
O        1.28133000       2.47459000      21.95269000       2.75192861       0.17432736      -1.59014867
O        0.13462000       4.97741000      21.79418000       0.43455251      -0.00292983       0.50661741
O        1.41902000       4.42446000       2.75596000       0.27838066      -1.09289914       0.77262175
O       -1.75128000       4.08316000       2.73869000      -0.22706820       1.68697519       0.93166273
O       -0.02485000       1.53265000       2.76666000       0.70555495       0.24515857       0.75091606
O        1.09951000       0.80188000       5.16286000       1.53618008       0.45036499       0.94858854
O        4.31381000       0.89736000       5.13904000       0.52406579      -1.32126783       0.27045774
O        2.79558000       3.46507000       5.29560000       0.40305839       0.93258456      -0.54333279
O        4.38192000       2.39285000      14.63390000       0.45140425       0.22141882      -0.30210308
O        1.63648000       2.46939000      14.70630000      -0.78215896      -0.45041511      -1.11947091
O        2.97287000       0.12768000      14.48384000       0.06301612      -0.13128994       1.37746878
O        1.31993000       4.17431000      24.17025000       1.67819572       0.59722856       1.69926959
O       -1.26317000       4.18332000      24.39852000      -0.22371490       1.33279357      -0.90486410
O        0.09657000       1.91353000      24.38036000      -1.44589879      -1.36960564      -0.29767853
O       -2.88774000       5.04120000      21.65611000       1.78259693       0.75113270       1.34963787
O        2.77687000       1.74470000       2.54276000      -0.04544379      -1.41491664       1.67910792
O       -0.09488000       3.54857000      12.08753000       0.43844351      -0.39334333      -3.61288422
O       -0.02555000       0.07719000       7.31598000      -1.14540323       0.12414927      -0.00307687
O        2.99276000       1.56358000      16.94380000       0.53805003       0.24145023      -1.63288783
O        0.08437000       3.58307000      26.53991000       0.71102935      -0.31496341      -0.71725834
O        5.79014000       0.02912000       0.57196000      -0.63366051      -0.61459185       0.51873379
O        2.78147000       1.77404000       9.93971000       1.82119495       0.12219014      -0.52995416
O        0.23788000       3.48139000      19.61525000      -0.64594181      -0.57411428      -1.32958332
O       -0.03156000       1.52776000      16.94824000       0.88934504      -0.56076251      -0.19473529
O        1.61017000       4.24836000      16.78164000       1.11787513      -0.21104154       0.95511729
O       -1.61894000       4.27952000      16.75238000       1.59926114      -0.45465314       0.87818507
O        2.96819000       3.42043000      26.58343000       0.19911612      -1.84594655      -0.50004585
O        1.63064000       1.01324000      26.63817000       0.65809636      -0.87457788      -1.25506761
O        4.40719000       1.07066000      26.65293000      -0.05485599      -0.26825082      -1.82950832
O       -0.11893000       4.92955000       7.38399000       0.09660356       2.27117448       0.14661098
O       -1.48644000       2.70159000       7.33600000      -0.26668053      -0.13022431       1.29188932
O        1.18431000       2.77476000       7.50588000       0.06329830      -1.37791644      -0.76258842
Zn       5.79878000       0.03979000      27.31060000       1.58135332       0.00866243      -0.06609338
Zn       2.76379000       1.72533000       7.99667000       0.30063167       0.25498209      -0.17993411
Zn       0.04419000       3.50389000      17.62461000      -0.13002475      -0.88213218      -0.25382475
Zn      -2.92922000       5.10127000      23.76120000       0.45707668       0.18406960      -1.00798152
Zn       2.61251000       1.70471000       4.49900000       1.37441966       0.15567081      -0.67489252
Zn       0.09471000       3.35856000      13.81677000       0.00748717      -0.37100675       3.59399830
Zn      -2.84108000       5.01983000      13.20580000      -0.17394311       1.71723517       0.77792547
Zn       2.80366000       1.60363000      22.91595000       0.74574785      -0.10052517      -0.36586154
Zn       0.12787000       3.24527000       3.86460000      -1.01199295       0.77966573      -0.75581636
Zn       5.70743000       0.14660000       9.24519000       1.18591745       0.07060719       0.39383419
Zn       3.35971000       1.52584000      18.86780000      -2.82455320       1.24227252      -0.68786090
Zn       0.03065000       3.25703000      28.44442000      -0.34560109       1.42718096       0.48512929
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.18695115 magmom=71.9996296 free_energy=-553.18695115 stress="-0.02774543305207116 -0.002181135990022805 -0.001851393280547862 -0.002181135990022805 -0.04104468354878644 0.009599837646064346 -0.001851393280547862 0.009599837646064346 -0.037410090817622796" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44366000       0.85802000      15.77277000       1.52560899      -0.96661659       0.36317369
Cr       4.51536000       0.71931000      15.63449000      -0.48942166       0.90222613       1.59158872
Cr       3.03080000       3.38091000      15.74842000      -0.23164367      -0.70597519      -0.33417350
Cr      -1.26177000       2.72570000      25.47659000      -3.71695993       0.29629727      -0.36810039
Cr       1.64330000       2.55252000      25.42693000      -1.41305359       0.37008618      -1.65673437
Cr       3.15307000       0.10583000      25.45884000      -1.11495389      -0.18995196      -2.32695663
Cr       1.33294000       4.38042000       6.29288000      -0.62391567      -0.33562541       0.58522804
Cr      -1.59088000       4.31840000       6.31292000      -1.11854715       0.84610558      -0.30544694
Cr      -0.25741000       1.93082000       6.17086000       1.10660737      -1.93719686       0.73531925
Cr      -2.66769000       4.97294000      18.12140000      -1.45556466      -0.56961967      -0.00167814
Cr       3.02376000       1.71604000      27.81851000       0.30810926       0.12578077       0.28498349
Cr      -0.11487000       3.45486000       8.64256000      -2.10944854      -0.62060806       0.58313210
Cr       2.91364000       5.04750000       3.88130000      -1.67797982       0.81506675       3.63061952
Cr       2.94654000       1.71507000      13.43543000      -0.39822811      -0.48776268      -1.23901660
Cr       0.08162000       3.43744000      23.05111000      -0.11114293      -1.23844460      -0.69993952
Cr       0.09700000       1.66294000      20.49792000       1.20735801      -0.20563529       3.34057790
Cr       1.70570000       4.16326000      20.60068000      -0.63412978      -0.95430171       2.80789700
Cr      -1.30880000       4.26488000      20.68927000       1.07098379      -0.26986304       1.34744173
Cr       2.61430000       3.40769000       1.53862000       2.29292527      -1.57928833       2.27925666
Cr       1.39023000       0.57520000       1.57096000       1.67532486       1.92166547      -0.72023800
Cr       4.34641000       0.97988000       1.72453000      -0.26459387      -2.27340765      -0.48173186
Cr       2.85180000       0.10315000      11.08596000       0.16132123       1.12215057      -2.13117521
Cr       4.34899000       2.63056000      11.05777000      -0.97765979      -0.04671916      -0.44074264
Cr       1.37881000       2.71247000      11.01272000       1.40783560       0.01151093      -0.08256819
O        1.59480000       0.59588000      19.26371000       0.46551424       1.33883503       1.14995773
O        4.89145000       0.53213000      19.43367000      -1.65115016       1.17202691      -1.44207711
O        3.23807000       3.39628000      19.67623000      -0.75271677      -0.61765268      -2.55018999
O        4.23058000       2.47506000       0.67525000       0.32665580       2.06641324      -2.72706265
O        1.55368000       2.31451000       0.42804000      -0.58121050      -0.68492854      -0.98387018
O        2.98497000       0.11836000       0.38017000      -0.13741559      -0.30854230       0.28375090
O        1.20140000       4.19316000       9.69026000       1.52942343       1.40804231       1.89090066
O       -1.47349000       4.26076000       9.87642000      -0.36799351       0.51435121      -0.01157524
O       -0.08707000       1.92932000       9.97123000       0.16986917       0.33952558      -0.93472880
O        1.60107000       1.20818000      12.10497000      -1.14257261      -2.49817270       1.99142543
O        4.37457000       0.98634000      12.16694000      -0.60569610      -0.63512016       0.65809521
O        2.96797000       3.29982000      12.34229000      -0.52311065       1.29479649      -0.80629815
O       -1.24874000       2.56829000      21.89020000       0.28557957       0.48322559      -0.95676266
O        1.41153000       2.43668000      21.81285000       0.16671410       1.39667540      -0.06001449
O        0.26419000       4.95278000      21.85833000      -0.49265510       0.26823142      -0.65091397
O        1.47919000       4.44245000       2.77047000      -1.30992094      -1.71490124      -0.13534917
O       -1.73836000       4.23800000       2.81761000       1.33051420      -1.82041894      -1.10255754
O        0.06947000       1.42432000       2.73033000      -0.69216081       2.18055508      -0.21700852
O        1.16975000       0.90847000       5.18284000      -0.16690869      -0.96322631       0.04840961
O        4.39318000       0.86012000       5.14072000      -0.42050709       0.13155478      -0.78590575
O        2.66459000       3.57372000       5.21941000       1.80974015      -0.34322735      -0.73420462
O        4.30614000       2.34375000      14.61635000       1.04856536       1.26100132      -0.08404432
O        1.53412000       2.43253000      14.70822000       0.24252458       0.88463747      -0.74154997
O        2.93388000       0.09307000      14.60956000      -0.13379818      -0.18827678      -0.16803172
O        1.45312000       4.16790000      24.35600000      -0.27475607       0.20721672      -0.47809780
O       -1.34161000       4.30348000      24.27715000       2.53412196      -0.45499066       0.66721900
O       -0.11214000       1.88931000      24.37635000       3.06056334      -0.82259253      -1.53260082
O        0.21761000       0.01933000      21.70946000      -0.82103132      -0.23363673      -0.55360290
O        2.72322000       1.65250000       2.56979000       0.39518543       0.30047526       0.34137027
O       -0.16341000       3.57674000      11.92931000       1.38791381      -1.31817369       2.86775070
O        5.78682000       0.13175000       7.21215000      -0.35332180       0.33328028       0.67778558
O        3.06355000       1.71306000      16.72327000      -0.29430871      -1.06550584       1.02246312
O        0.11314000       3.54698000      26.42959000       1.23555161      -0.40692151       1.80521843
O        2.84802000       4.97893000       0.54081000      -0.42249462       1.38159319      -0.79907739
O        2.88653000       1.73507000      10.06904000      -0.27727557       1.05239769      -1.52140945
O        0.09372000       3.40197000      19.59952000       1.01461901      -0.21759444       0.34568304
O        0.04491000       1.54728000      16.97146000       0.11669414      -1.43474207      -0.42867784
O        1.65891000       4.29799000      16.79194000       0.71436317      -0.39226598       1.34466023
O       -1.41821000       4.10644000      16.84191000      -1.06963651       1.79085993      -0.39055921
O        3.03719000       3.30947000      26.48281000       0.34609636       0.36322793       1.52106005
O        1.80225000       0.99073000      26.46396000      -1.43304959      -0.92238804       1.66585117
O        4.43513000       1.10196000      26.47118000       0.57114362      -0.79392604       1.96800873
O       -0.12025000       5.01937000       7.51237000      -0.40451570      -0.21429936      -1.75833251
O        4.31514000       2.70660000       7.41994000       0.63605882       0.16224924      -0.43921675
O        1.13348000       2.67078000       7.37102000       0.31482718       0.38484157      -0.58770624
Zn       2.93890000       5.10971000      27.22536000       0.56348189       0.34610027      -0.49248744
Zn       2.72473000       1.72816000       8.00707000      -0.01009321       0.69856279       1.00142339
Zn       0.10428000       3.38153000      17.74847000       0.65315061      -0.12460263      -1.49841291
Zn      -2.91499000       5.09245000      23.74855000      -0.49891779       1.19519749      -1.37550442
Zn       2.71818000       1.70192000       4.47815000       0.85124089       0.40653198       0.42863035
Zn      -0.05411000       3.35694000      13.89683000       0.17659292      -0.03950758       0.23470505
Zn      -2.88484000       5.04596000      13.32681000      -0.30142945       0.56539668      -0.68673064
Zn       2.79074000       1.61644000      23.03957000       0.84255399      -0.01884658      -0.88363209
Zn       0.02018000       3.23142000       3.85923000      -0.31265384       0.77939053      -0.50407467
Zn       5.68836000       0.23909000       9.17462000       0.56313012      -1.48559420       0.44075427
Zn       3.33312000       1.56093000      18.79293000      -0.88132961       0.25351250      -0.17748822
Zn       0.10875000       3.31826000      28.41127000      -1.43859035       0.72947552       0.08391711
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.52793834 magmom=72.0087116 free_energy=-551.52793834 stress="-0.030319407735299793 0.0023389423309203242 0.008621007409971565 0.0023389423309203242 -0.032371063980513676 0.0013714904034130818 0.008621007409971565 0.0013714904034130818 -0.039128344007851854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39368000       0.81053000      15.76676000       3.00744935      -0.12289394      -1.72390939
Cr       4.46315000       0.81397000      15.69653000       1.08658111      -1.52545824       0.99273279
Cr       3.06658000       3.38813000      15.88712000      -0.59165587      -0.48130661      -3.01167258
Cr      -1.34636000       2.72146000      25.34555000       1.45546815      -2.34813168       1.20604851
Cr       1.72190000       2.59566000      25.37833000      -1.32628391      -2.02530290       0.94676822
Cr       3.12549000       0.07553000      25.48354000       1.56565193      -0.00778813       0.53725438
Cr       1.27120000       4.47518000       6.28350000       0.32739507      -2.06740671      -1.41621435
Cr      -1.68461000       4.33707000       6.31550000      -0.41818425       1.00500294      -0.60766563
Cr      -0.21595000       1.99234000       6.14900000      -0.34502389      -3.00699131      -1.25248712
Cr      -2.65788000       4.92373000      18.09818000      -0.47679177       0.48692541       3.15227840
Cr       2.98929000       1.71801000      27.91017000       0.35908896      -0.40488789      -3.19748990
Cr      -0.16922000       3.34577000       8.63729000       0.86587623       3.42410026      -0.59203995
Cr       2.85792000       5.08675000       3.88305000       0.72886674       1.13860712      -0.06603872
Cr       2.88460000       1.65325000      13.44303000      -0.33764617       0.96480190      -1.03647888
Cr       0.10041000       3.43303000      23.04151000       2.59656176      -1.01911613      -1.57609917
Cr       0.12114000       1.55572000      20.65884000       0.36687652       2.95017783      -1.85027890
Cr       1.66909000       4.14747000      20.62275000       0.32728115       1.01417117      -1.37689731
Cr      -1.31041000       4.25859000      20.75591000       1.61594878      -1.17847972      -2.49814482
Cr       2.69674000       3.38818000       1.55066000       1.55061616      -1.40877269       0.64963183
Cr       1.49495000       0.52814000       1.56434000      -2.26595736       2.74675808      -0.71381893
Cr       4.26955000       0.87416000       1.71777000       2.90927266      -0.63040698      -2.16779791
Cr       2.78347000       0.14065000      11.09570000       0.90408048      -1.48729844      -1.91479056
Cr       4.28632000       2.58593000      11.02631000       1.76793457       2.09189562       0.48865384
Cr       1.42860000       2.79811000      11.15084000      -0.85218454      -2.86390114      -2.66091361
O        1.66104000       0.69289000      19.16786000      -1.25389122      -0.51676176       2.25360979
O        4.80344000       0.55364000      19.23556000      -0.05861268       0.75076180       1.94720855
O        3.20667000       3.37528000      19.58020000       0.06980566       0.93990204      -0.88996065
O        4.26095000       2.54428000       0.41096000       0.04701406      -0.11622290       1.46825521
O        1.52485000       2.28372000       0.43396000      -0.01351673       0.32825374      -0.13533165
O        2.91029000       0.11779000       0.27477000       0.50099393      -0.58125153       1.86979236
O        1.33224000       4.12395000       9.76783000      -0.82073030       1.27773138       0.24413759
O       -1.45117000       4.31763000       9.79322000      -0.05981400       0.04501847       0.77980788
O       -0.21523000       1.97366000       9.85342000       1.23819356      -1.07652856       1.13621602
O        1.42506000       0.92689000      12.19669000       0.58556113       0.69623773       0.74175049
O        4.34194000       1.06448000      12.25409000      -1.01541799      -1.37596024      -0.15449210
O        2.85487000       3.32971000      12.15555000       1.18583981       0.61662220       2.41392557
O       -1.19678000       2.63452000      21.84617000      -0.15063482      -0.59379897       0.34991090
O        1.56577000       2.63890000      21.66494000      -0.54933476      -2.46211714       2.82123214
O        0.27595000       4.90729000      21.81777000      -0.84360818       1.50961373       0.33584780
O        1.42508000       4.17740000       2.77027000      -0.03452033       1.34407904      -0.31974435
O       -1.62150000       4.19893000       2.76792000      -0.97468565      -0.78191449       0.01364692
O        0.01986000       1.56332000       2.66025000      -0.87555442      -0.87878745       0.07117571
O        1.19157000       0.83179000       5.22997000       0.33559438       0.88514489      -1.54962317
O        4.45472000       0.82351000       5.05274000      -0.53601475       0.98911947      -0.27116672
O        2.83639000       3.67893000       5.08516000      -0.73828564      -2.12082257       1.38827083
O        4.29695000       2.44107000      14.60558000      -1.50600926      -0.79998103       0.75336852
O        1.52569000       2.46593000      14.59907000       0.03493752       0.22683442       1.18346099
O        2.91227000       0.10940000      14.73018000       0.30298708      -0.39783156      -1.48368392
O        1.54306000       4.21864000      24.45925000       0.26789753       0.47777891      -1.97377062
O       -0.99999000       4.33997000      24.26107000      -3.19849027       0.01798414      -0.13050070
O        0.14079000       1.84082000      24.20090000       0.21114079       1.06861519       0.95179422
O        0.24332000       0.02768000      21.66523000      -1.16302978      -1.53802610       1.77446308
O        2.77451000       1.56116000       2.60064000      -0.04125892       1.02012540      -0.11993451
O       -0.06095000       3.45890000      12.03040000      -1.34756558       1.35022738       1.16805876
O        5.62502000       0.23440000       7.20685000       0.98940618      -0.09459436       0.62655151
O        3.05825000       1.66510000      16.62550000      -0.94509860      -0.31335164       2.67745381
O        0.31515000       3.42925000      26.46346000      -1.32180963       0.05413500      -0.66765083
O        2.78191000       5.02370000       0.49839000       0.26233014       0.13414566       0.44517090
O        2.93928000       1.84769000       9.95996000      -1.82421297      -1.16387488       0.40744106
O        0.12519000       3.26753000      19.69998000       0.09026178       0.52663808      -0.65110746
O        0.09227000       1.34163000      16.91776000      -1.52074303       2.39911811       0.63359863
O        1.81858000       4.27648000      16.99607000      -2.00819351      -0.64388203      -0.65160018
O       -1.35755000       4.22171000      16.85243000       0.19127379      -0.52098277      -0.21640388
O        3.14109000       3.17910000      26.56188000      -0.44473879       1.22801884      -0.09391431
O        1.70992000       0.82738000      26.51103000       0.57929748       1.55887136      -0.08264410
O        4.52552000       1.00930000      26.49650000      -1.25257282       0.85011715       0.04692557
O       -0.20475000       5.06909000       7.29963000       0.04913242       0.11138953       1.41596961
O       -1.52934000       2.75155000       7.40286000      -0.96715170      -0.81990478      -0.29898487
O        1.13217000       2.67975000       7.17010000       1.41878541       1.26484618       2.23070919
Zn      -2.83044000       5.09009000      27.11834000      -0.40966400      -0.07326445       0.81313144
Zn       2.68659000       1.76924000       8.06240000       0.18330222       0.21454978      -0.43248765
Zn       0.19530000       3.24416000      17.79717000       0.12527253       0.19852493      -0.93404281
Zn       0.04002000       0.02299000      23.66486000       0.75189943      -0.17341253      -0.52550374
Zn       2.87303000       1.72156000       4.48165000      -1.14008962       0.49370640       1.04280685
Zn      -0.18223000       3.35734000      14.02500000       2.33630430       1.15236635      -0.97326678
Zn       0.00447000       0.00508000      13.43623000      -0.19286668       0.05136788      -1.09798211
Zn       2.82274000       1.63074000      23.12775000       0.71476381       0.26465703      -1.61847829
Zn      -0.11422000       3.26042000       3.83634000       0.09298836       0.42474182      -0.34147227
Zn       5.70595000       0.25442000       9.12052000       0.31481051      -1.63710478       0.86099910
Zn       3.24680000       1.61846000      18.70222000       0.19492679       0.04983520       0.14722472
Zn       0.11138000       3.42023000      28.39149000      -0.68782581      -1.08500056       0.28920176
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.18753116 magmom=72.0083914 free_energy=-552.18753116 stress="-0.027909243412672324 -0.0034157759194285205 -0.0052803099422183255 -0.0034157759194285205 -0.024018026109247293 -0.010006527852088352 -0.0052803099422183255 -0.010006527852088352 -0.03806781439585965" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48239000       0.73928000      15.73613000      -0.34558707       1.83483272      -0.03874624
Cr       4.44891000       0.82610000      15.84627000      -1.44592587      -1.60666965      -0.67449654
Cr       3.06031000       3.40293000      15.94593000      -2.14059800      -1.56219920      -1.78628627
Cr      -1.38331000       2.58937000      25.29061000       2.08142168       0.26096363       0.70359568
Cr       1.73598000       2.53794000      25.39682000       0.62057211       1.66288851       0.11765140
Cr       3.16941000       0.04753000      25.52789000      -0.18700439      -1.63413805      -2.09430955
Cr       1.21937000       4.45857000       6.20289000       0.64380952      -0.78200445      -0.93683118
Cr      -1.79861000       4.41492000       6.29149000       1.97793092      -0.72895989      -0.06962128
Cr      -0.16125000       1.89739000       6.08206000       0.87353715       1.06733080       0.95862286
Cr      -2.67636000       4.89026000      18.15513000      -1.24614709       4.32968335       0.63724216
Cr       2.98441000       1.69963000      27.87162000       0.89320943       0.25441818      -0.71543556
Cr      -0.20047000       3.42020000       8.61397000       1.18899207       1.47120718       0.00419468
Cr       5.77793000       0.05737000       3.90263000       0.61396611      -2.63434696      -3.26296854
Cr       2.78980000       1.65316000      13.39530000       0.15207310       1.55592471       1.33422035
Cr       0.24594000       3.39403000      22.94924000      -0.19115023       2.62583766       1.87070283
Cr       0.17969000       1.57994000      20.76076000      -0.20873810      -0.63752502      -1.26224455
Cr       1.64281000       4.15986000      20.61124000       0.61521582       0.90239332       0.08528496
Cr      -1.23907000       4.19238000      20.68900000      -1.46464730       0.62611763      -0.76631998
Cr       2.87634000       3.25907000       1.57551000      -1.05224276       1.68833842      -0.67462200
Cr       1.47621000       0.66140000       1.51825000      -3.28545413       0.77885064       1.40307596
Cr       4.33289000       0.73476000       1.56135000       0.65087881       0.60533226       0.25031208
Cr       2.74802000       0.10930000      11.00449000       1.46268645      -0.95147851       2.32654162
Cr       4.30259000       2.64152000      11.03214000       0.07063341       0.05385869       2.01924496
Cr       1.43612000       2.75111000      11.16864000      -2.04400221      -0.60410581       0.14761169
O        1.49427000       0.72107000      19.50630000       0.47887293      -0.34657861      -0.51544159
O        4.71807000       0.71849000      19.39474000       0.63949802      -0.68907924       0.75559884
O        3.15163000       3.51629000      19.31439000       0.20148480      -2.07503821       2.56568944
O        4.28458000       2.60168000       0.35152000      -0.09562229      -1.25964123       0.75787057
O        1.51003000       2.29307000       0.40121000       0.51890285       0.56375697      -0.16538519
O        2.91386000       0.06476000       0.48562000       0.15475188       0.27373082      -1.99358817
O        1.30453000       4.26612000       9.96385000      -0.87408227       0.28932524      -1.05123248
O       -1.41156000       4.34533000       9.84837000      -1.74683140      -1.12485629      -0.80877291
O       -0.12686000       1.97009000       9.91086000       0.26280692      -0.14133599      -0.08805477
O        1.44419000       0.73641000      12.38878000      -0.54598919       1.51536122      -1.59183061
O        4.07665000       0.94534000      12.24442000       1.67639224       0.30022767      -1.46532822
O        2.86828000       3.38618000      12.28613000       0.07852089      -0.55944801      -0.12492079
O       -1.07745000       2.64761000      21.82004000      -1.21873034      -1.30928402       0.57709842
O        1.57741000       2.54717000      21.90867000       0.60147979      -0.33343115      -1.31217569
O        0.13471000       5.02463000      21.78927000       0.76187209      -0.33263782       0.09773528
O        1.44064000       4.15764000       2.67838000       0.27537818       0.71613753       0.83205396
O       -1.69009000       4.08213000       2.66128000       0.13901704       1.88196343       1.15208168
O       -0.21405000       1.51111000       2.60032000       1.95142121       0.28855216       1.39580683
O        1.22232000       0.86301000       5.04095000       0.25789694       0.51948232       0.69088006
O        4.49198000       0.90076000       4.98187000      -0.20988633      -0.53948120       1.33031668
O        2.88959000       3.53463000       5.15778000      -1.91085307       1.58484230      -0.07618479
O        4.07184000       2.39719000      14.71313000       2.67333208       0.28586767      -0.53964811
O        1.57400000       2.50150000      14.71069000      -0.95351636       0.07654997       0.73268296
O        2.95775000       0.13611000      14.60481000       0.15609536      -0.31285285       0.98628319
O        1.58759000       4.27805000      24.26902000      -0.68085781      -0.51475854       1.05452839
O       -1.08031000       4.29096000      24.24604000      -0.77703384      -0.38939753       0.19212126
O        0.46913000       1.95951000      24.17663000      -2.66998808      -2.32078458       0.04685255
O        3.03307000       4.92016000      21.71893000       1.10885374       0.69922023      -1.34943938
O        2.86684000       1.61470000       2.52438000      -0.09544575      -0.73053666       1.45069185
O       -0.09396000       3.50890000      12.23709000      -0.29748920      -0.48300112      -2.52878649
O        5.61328000       0.28550000       7.22561000       0.27258906      -0.66405776      -0.21885284
O        2.89836000       1.54480000      16.87255000       0.24150104       0.76309634      -2.29427229
O        0.29311000       3.32003000      26.36286000      -1.49825396       1.03061685       0.85522440
O        2.79744000       5.08692000       0.54629000       1.37876387      -1.33197684      -1.46466306
O        2.71682000       1.79237000      10.00553000       0.90722339       0.49434150       0.08239103
O        0.21030000       3.23804000      19.73897000      -0.39298447       0.40535016      -1.58575682
O       -0.07403000       1.47938000      16.92013000       1.75399519      -0.80266530       0.23196108
O        1.67354000       4.19064000      17.07166000       1.00591989       1.23910860      -0.76724341
O       -1.30476000       4.27064000      16.80139000      -0.87476544      -1.04544250       1.22227017
O        3.19187000       3.22775000      26.60049000      -0.57000735       0.02655370      -0.93270898
O        1.74654000       0.97194000      26.54006000       0.10840467      -0.75576256      -0.25299927
O        4.40382000       1.04881000      26.56766000       1.11465864      -0.57003039       0.12535518
O       -0.26681000       5.04499000       7.26910000       0.27366969       1.06874403       1.40145130
O       -1.52612000       2.70857000       7.28287000      -0.36892279       0.07590771       0.68216249
O        1.24012000       2.90451000       7.29846000      -1.06720784      -1.48333622       0.22815320
Zn      -2.72610000       5.06642000      27.04806000      -1.28539609       0.71719811       1.33649910
Zn       2.65716000       1.83258000       8.09969000       0.62423300      -0.24440452      -0.76535857
Zn       0.29926000       3.10957000      17.78902000      -0.71633161       0.63908121       0.07564467
Zn       0.09210000       0.07261000      23.55325000       1.31517542       0.33664898       0.96278335
Zn       2.96855000       1.77353000       4.53122000      -2.20476872       0.14734284      -1.39721943
Zn      -0.21328000       3.40165000      14.13243000       0.69118004      -0.73457295       0.29434444
Zn       5.82602000       0.08164000      13.50938000      -0.24377703      -0.48809316      -0.92734006
Zn       2.89690000       1.65674000      23.15002000       0.67536701      -0.28954791      -1.18597103
Zn      -0.24810000       3.31423000       3.79820000       0.74401898       0.28215457      -0.97325219
Zn       5.74398000       0.17497000       9.11377000       0.07381304      -0.46442269       1.62157172
Zn       3.15451000       1.67707000      18.63117000       0.11850346      -0.75273626       3.33040585
Zn       0.07299000       3.46898000      28.37753000      -0.17028155      -1.70852019      -0.26850235
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.28640955 magmom=71.9977407 free_energy=-551.28640955 stress="-0.039269756887717035 -0.0008464721756598984 -0.0055679169663240165 -0.0008464721756598984 -0.04248006326294784 -0.006561297239970312 -0.0055679169663240165 -0.006561297239970312 -0.039042973600978914" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53114000       0.73271000      15.74399000      -2.43935614      -0.75680200       0.19554735
Cr       4.38996000       0.75089000      15.96659000      -0.24420488       1.12637901      -3.04747201
Cr       2.95569000       3.38103000      15.96462000       0.87971151      -0.91592229      -2.27864779
Cr      -1.31243000       2.46330000      25.29158000       0.28915148       0.68763978      -0.44707943
Cr       1.75125000       2.55928000      25.43176000      -1.81658201       0.58232130      -2.12038365
Cr       0.25482000       5.06969000      25.49278000      -1.51083187       0.50494658      -1.97312573
Cr       1.18810000       4.38051000       6.09485000      -1.17597119       1.09341711       2.84230667
Cr      -1.78454000       4.44293000       6.26444000       2.03431347      -1.08050530       0.02074943
Cr      -0.07084000       1.85933000       6.07794000      -0.90212822       1.31374059       2.06994143
Cr      -2.77091000       5.02905000      18.20694000       0.11331744       0.18031625       1.57368450
Cr       3.03152000       1.69431000      27.82929000       0.34318446       0.14880343      -1.00731137
Cr      -0.17391000       3.59445000       8.59732000      -0.78013313      -1.25088566       1.93269248
Cr       5.77930000       0.00460000       3.78014000      -0.76806103      -0.39116492       3.71292400
Cr       2.72578000       1.73193000      13.40861000       2.24413531      -0.61166390       1.21080367
Cr       0.36911000       3.46683000      22.94570000      -3.36683069      -1.21753732       1.26876301
Cr       0.21463000       1.60934000      20.78967000      -0.52320354      -0.45405384       0.34690910
Cr       1.64986000       4.22956000      20.57713000      -0.65404381      -1.55833603       0.92034802
Cr      -1.24241000       4.13803000      20.57319000      -1.07139105      -1.10697676       2.12236609
Cr       3.00220000       3.19256000       1.54129000      -1.69049457       2.70608287       1.07415870
Cr       1.30545000       0.85311000       1.52154000       2.42150049      -0.77805892       0.62585672
Cr       4.45263000       0.64636000       1.38077000      -1.04348892       0.97912397       2.27717535
Cr       2.76125000       0.03034000      11.01952000      -1.91391350       1.87174313       0.91404452
Cr       4.32690000       2.69300000      11.14154000      -2.50018348      -2.64404074      -1.62095809
Cr       1.32687000       2.67605000      11.16341000       0.34793108      -0.27767813      -0.31980041
O        1.39601000       0.65714000      19.68342000       2.30318002       0.76922994      -3.78956119
O        4.77235000       0.75477000      19.68962000      -1.26616149       0.56106849      -3.20838967
O        3.12360000       3.44077000      19.42776000      -0.04182529       0.54860272      -0.31467528
O        4.33777000       2.42329000       0.45335000       1.09088709      -0.41609065      -0.83073423
O        1.58412000       2.41154000       0.35274000      -0.03891819       0.10400502      -0.13117286
O        2.88388000       0.08169000       0.42893000      -0.47403810       0.42191363      -0.93921879
O        1.11426000       4.37710000       9.97793000       1.93052067      -1.32262439      -2.08959434
O       -1.58244000       4.18115000       9.84112000       0.28025772       0.46552337       0.15032215
O       -0.02820000       1.96485000       9.98451000      -1.24469220      -0.09432821      -1.30111198
O        1.44862000       0.86435000      12.31504000      -1.68764810       0.82692141      -0.09494512
O        4.03033000       0.94707000      12.06444000       1.76628502       0.60673722       2.54407703
O        2.89264000       3.30033000      12.41517000      -0.96919923       1.61945963      -0.82044316
O       -1.07553000       2.50819000      21.88873000      -0.31244346       0.84235142       0.04870309
O        1.59803000       2.37663000      21.95779000       0.47808995       1.25530654      -1.09481287
O        0.11239000       4.99513000      21.75061000       1.05309846      -0.52609544      -0.03157879
O        1.56483000       4.31618000       2.66016000      -1.31149421      -2.04285573      -0.94376509
O       -1.80186000       4.31848000       2.69934000       2.48610933      -1.09465653      -0.77749465
O       -0.16168000       1.45139000       2.68498000       0.36549837       2.60689919      -1.96725749
O        1.23338000       0.95497000       4.96521000       0.31588998      -0.83253137       0.78058723
O        4.53288000       0.86439000       5.10298000      -1.37881984       0.60688034      -1.62665401
O        2.62722000       3.65368000       5.23707000       2.07960015      -1.16122010      -2.01790173
O        4.20204000       2.36021000      14.77629000       0.15429018       0.36036718      -0.14698402
O        1.51333000       2.51357000      14.93074000      -0.57453198       0.17842579      -1.60028822
O        3.00482000       0.16822000      14.62925000      -0.16507148      -0.90592189       0.42860972
O        1.50779000       4.23044000      24.26807000       1.66974556       0.37078012       0.62175837
O       -1.30649000       4.12567000      24.27406000       1.67793005       0.50180059      -0.35845312
O        0.35387000       1.81594000      24.23623000      -0.87454156       1.13626892       0.62906406
O        3.08892000       4.81701000      21.58012000       1.10885930       1.46102696       1.86123185
O        2.92651000       1.58727000       2.59292000      -0.16656688      -0.34976292      -0.71619889
O       -0.18558000       3.48919000      12.02191000       1.06012445       0.39112797       3.30357763
O        5.67344000       0.20348000       7.17402000      -0.44879245       0.09195575       1.11577405
O        2.80017000       1.58477000      16.79782000       1.65023063       0.60195454       2.40811835
O        0.05094000       3.37625000      26.33924000       1.35056022      -0.52451286       1.51034936
O        3.02308000       4.93342000       0.41707000      -0.57466252       0.14065545      -0.43428749
O        2.65757000       1.78663000      10.13337000       1.40010113       0.45249826      -1.73656239
O        0.22813000       3.29869000      19.58524000       0.02659220      -0.20398341       0.90774345
O       -0.00017000       1.44508000      16.90608000       0.82986235      -1.10223848       0.62758693
O        1.65893000       4.31038000      17.00776000       0.00109029      -0.65306919       1.73976591
O       -1.37715000       4.15447000      16.90700000      -1.03795598       0.80001174       0.55416418
O        3.17440000       3.24268000      26.44730000       0.36834163       0.03479936       1.20969704
O        1.86027000       0.98904000      26.47191000      -1.17004745      -1.37007558       0.79363975
O        4.44793000       1.00414000      26.60574000       0.83185710      -1.28703178       0.00527488
O        2.68129000       0.04668000       7.44860000      -0.14623142      -0.20858612      -1.66663570
O       -1.53228000       2.71311000       7.25111000       0.14027642       0.66487451       0.26531468
O        1.14224000       2.92693000       7.43283000       0.60066612      -1.15651400      -1.79253540
Zn      -2.69426000       5.07295000      27.04588000      -0.29836683       0.54286184       0.23498163
Zn       2.65920000       1.88547000       8.09748000       0.71866749       0.18208213       0.63258574
Zn       0.36927000       3.02077000      17.77594000      -0.77454483       1.59841456      -0.98322175
Zn       0.20422000       0.12794000      23.47875000      -0.03713500      -1.43065458       0.09625096
Zn       2.95697000       1.83765000       4.52834000      -0.51940387      -0.10889507      -0.05892956
Zn      -0.19737000       3.41828000      14.24243000       0.51557586      -0.40857747      -0.94585297
Zn       5.73504000       0.13377000      13.54198000       0.20371744      -0.57329247      -1.42839776
Zn       3.01503000       1.67163000      23.12220000       0.82358606      -0.15419768      -0.95975654
Zn      -0.34338000       3.38304000       3.72904000       0.91352392       0.22010790      -0.06176098
Zn       5.78496000       0.07028000       9.18654000      -0.79924848       0.80447999       0.68571068
Zn       3.06889000       1.69739000      18.70453000       0.08392831      -1.31715267       1.58555328
Zn       0.02161000       3.42749000      28.34888000      -0.23902983      -0.67541211      -0.16475858
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.59306634 magmom=72.0009855 free_energy=-551.59306644 stress="-0.030033771218040232 -0.0015844167472200828 0.0035458455679894542 -0.0015844167472200828 -0.03615048715483042 0.01136823378492779 0.0035458455679894542 0.01136823378492779 -0.03422673652709937" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44936000       0.68758000      15.80758000       1.15027198      -0.54423884      -0.05059071
Cr       4.34578000       0.72515000      15.94251000       1.54839698       1.01825329      -0.15409913
Cr       2.89590000       3.35431000      15.92369000       0.88878151       0.19260434       0.12818319
Cr      -1.25447000       2.39579000      25.31718000      -3.05802444       1.06066335       2.52597183
Cr       1.70073000       2.60389000      25.40066000      -0.35017400      -2.09007158       0.76873148
Cr       0.20476000       5.01604000      25.38098000      -0.50888950       1.10905583       0.87578476
Cr       1.11992000       4.35946000       6.12983000       1.91438911       1.60178103       0.22001472
Cr      -1.65511000       4.40729000       6.24413000      -1.40678446       0.38281676      -0.95762866
Cr      -0.05256000       1.88887000       6.18195000      -3.26377288      -2.24518465      -0.90206567
Cr       0.08866000       0.03462000      18.30995000       0.86482804      -3.04667705       0.19953208
Cr       3.10269000       1.69373000      27.78901000      -0.40160491      -0.35506485      -2.02916122
Cr      -0.18321000       3.68160000       8.64889000      -1.45138402      -3.17144709      -1.54304083
Cr       2.79003000       5.05372000       3.78992000       0.23939250       3.18844903      -0.57397516
Cr       2.78474000       1.78951000      13.48476000       0.15554700      -0.40059236       0.12842966
Cr       0.30489000       3.48154000      23.03091000      -0.62423519      -2.44535528      -0.05497560
Cr       0.21728000       1.60586000      20.80171000       0.42916684       0.74720234      -2.09102257
Cr       1.65639000       4.24641000      20.56837000       0.48541436      -1.10537687       1.19415466
Cr      -1.30965000       4.05599000      20.55514000       1.77798227       0.92976628       1.12730539
Cr       3.03282000       3.24763000       1.49729000       0.59971467       0.95565957       0.70609599
Cr       1.29592000       0.98769000       1.52403000       3.81749130      -1.95138446      -1.65258363
Cr       4.47493000       0.62287000       1.30561000      -1.25933103      -0.79049907       2.27091671
Cr       2.72669000       0.05465000      11.10224000       0.37674931       0.62804671      -0.11289946
Cr       4.23948000       2.61818000      11.18518000       0.46770417       0.39124679      -1.14180276
Cr       1.23053000       2.60016000      11.12197000       0.86097667       2.70581547      -1.66984461
O        1.60786000       0.66103000      19.28677000      -2.79050016      -1.49044988       2.54113414
O        4.67380000       0.83382000      19.50747000       0.72487639      -0.23203907       0.64190056
O        3.09076000       3.42695000      19.58032000      -0.03275382       0.74273263      -1.50741763
O        4.54453000       2.24430000       0.42620000      -1.81415247       1.67544909      -1.08558458
O        1.66856000       2.53129000       0.30547000       0.02891692      -0.54353063      -0.35492425
O        2.79121000       0.15570000       0.21479000       1.18459912      -0.85318552       1.34429176
O        1.13348000       4.28719000       9.77200000       0.65242777       0.80595085       2.65756135
O       -1.64400000       4.06280000       9.88983000       1.22637140       2.10072333       0.92652111
O       -0.14772000       1.99843000       9.87971000      -0.36288542      -0.57976073       0.13715525
O        1.27653000       1.15371000      12.21274000       1.29953783      -2.96575635       1.98298494
O        4.19636000       1.04757000      12.27066000      -1.04074382      -1.34229935       0.61501953
O        2.74462000       3.36146000      12.35968000       0.10974720       0.22251538      -0.08632143
O       -1.08701000       2.53027000      21.92518000      -0.38587548       0.05447027      -0.39574093
O        1.63681000       2.47128000      21.77601000       0.28469109       0.83689037       0.95097923
O        0.26971000       4.79283000      21.69099000      -1.26118082       2.15663306       0.65771084
O        1.57013000       4.20237000       2.51240000       0.19846940      -0.37862601       0.29950880
O       -1.59934000       4.44943000       2.64789000      -1.32681330      -0.82115301      -0.17465219
O       -0.04358000       1.68610000       2.56059000      -1.81171953      -0.81170348       1.32115727
O        1.22836000       0.89127000       5.09508000      -0.04233833       0.10341398      -0.51562903
O        4.40290000       0.87465000       5.02487000       0.68721872      -0.28879602       0.24453445
O        2.66524000       3.68813000       5.04506000       0.42643043      -1.02279551       1.35320933
O        4.30161000       2.34983000      14.80276000      -1.61452541       0.09123696      -0.15577755
O        1.43734000       2.49143000      14.86670000       0.97266834      -0.72730749      -0.35032877
O        2.98625000       0.12837000      14.75180000      -0.69432868       0.17910526      -0.83063222
O        1.63433000       4.19991000      24.35027000       0.28277116       0.37414914      -1.44355795
O       -1.18428000       4.03614000      24.24765000       0.35136279       1.45498058      -0.69474507
O        0.11011000       1.82515000      24.33521000       3.63813921      -0.86770518      -2.34153724
O       -2.60466000       5.00009000      21.62145000      -1.37397797      -0.34236081      -0.37189205
O        2.94628000       1.52682000       2.49368000       0.27062637       0.84249989       0.01626278
O       -0.16648000       3.50402000      12.20748000      -0.39780260       0.32986852      -0.09711645
O        5.70304000       0.11479000       7.25365000      -0.24735154       0.21881790      -0.08919644
O        2.94677000       1.69440000      16.92222000      -0.54531667      -0.75507919      -0.28252887
O        0.04203000       3.37606000      26.45041000       1.43017487      -0.46927800      -1.52961384
O       -2.75959000       4.82391000       0.33182000      -1.31631841       1.44879092       1.12527945
O        2.81696000       1.84202000      10.03707000      -0.90249234      -0.99541616       0.72822280
O        0.23425000       3.31041000      19.63397000      -0.17339744      -0.96226869      -0.70589032
O        0.15635000       1.26851000      16.93366000      -2.57266260       3.18014177       0.46776169
O        1.66749000       4.33421000      17.15273000      -0.81848676      -0.82026171      -0.62182873
O       -1.62852000       4.15965000      17.05262000       0.94482531       0.19619898      -0.88033115
O        3.20627000       3.18979000      26.43114000      -0.14899628      -0.13828604       0.37935783
O        1.81796000       0.80996000      26.46290000       0.82604563       1.99970419      -0.80567585
O        4.56306000       0.79421000      26.54975000      -2.03334875       0.99639932      -0.77554643
O        2.66969000       0.05257000       7.35844000       0.79302588       0.47066025       0.13103406
O       -1.48745000       2.85417000       7.29553000      -0.51067200      -1.40924641       0.83150756
O        1.06871000       2.79142000       7.29622000       1.98213483       1.01329743       1.62393527
Zn      -2.68359000       5.10130000      27.05883000      -0.09177759      -1.05811071       0.26783514
Zn       2.70260000       1.94257000       8.11142000       0.64992784       0.07944577      -0.74495764
Zn       0.38958000       3.01572000      17.72497000      -1.19553796       0.81953910       0.02463420
Zn       0.31930000       0.12035000      23.43629000      -0.04145131      -0.67958923       2.17568526
Zn       2.90593000       1.88766000       4.50560000      -0.89599213      -0.84567905      -0.91506548
Zn      -0.15088000       3.41408000      14.30214000       0.32343591      -0.11368075      -1.47284354
Zn       5.65730000       0.15516000      13.51702000       0.26360850      -0.42707194      -1.07171782
Zn       3.17072000       1.67872000      23.05697000      -0.06085187       0.14775014      -0.93842996
Zn      -0.37915000       3.45716000       3.66671000       1.69118615      -0.58143364       0.34442051
Zn       5.78316000       0.01372000       9.28348000      -0.80138923       1.30735314      -0.57185691
Zn       3.00305000       1.65364000      18.87169000       2.09776614       0.97411688      -0.11276755
Zn      -0.03612000       3.35360000      28.31981000       0.71204920       0.93456675       0.92307225
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.79982333 magmom=72.0000178 free_energy=-551.79982333 stress="-0.04591819480131064 -0.0031122008867600624 -0.0008883235228394116 -0.0031122008867600624 -0.04811156111584674 0.0017307507636800988 -0.0008883235228394116 0.0017307507636800988 -0.03829947431723253" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38437000       0.61819000      15.90150000       0.33294958       2.78634764      -0.27977641
Cr       4.38379000       0.76009000      15.90708000      -0.50815342      -0.12573064       0.72145140
Cr       2.89149000       3.34483000      15.91321000      -1.12641643      -0.29261507       0.75256717
Cr      -1.33122000       2.37848000      25.44760000       2.03708839       1.37412116      -3.39555960
Cr       1.65873000       2.53591000      25.40130000       2.61268645       0.77085521      -2.50851460
Cr       0.14196000       5.04572000      25.31338000       1.97941985      -0.14630325      -1.00805293
Cr       1.15424000       4.42952000       6.20634000       3.09662347      -1.14587611      -1.17399621
Cr      -1.59346000       4.37477000       6.19339000      -1.44514509      -0.30324508       0.03493803
Cr      -0.19768000       1.81706000       6.27249000       0.54191094      -0.52510593      -0.44616340
Cr      -2.92837000       5.07466000      18.43772000      -0.62878589      -0.84893044      -6.73607786
Cr       3.16305000       1.66383000      27.68665000      -2.33261353      -1.15753268      -0.16517771
Cr      -0.25179000       3.59403000       8.66227000       1.52314503       0.02573734       0.69206220
Cr       5.70530000       0.05095000       3.80298000       1.42206673       0.10831850      -1.70459812
Cr       2.84895000       1.81228000      13.56069000      -2.43637188      -0.81525131      -1.64715323
Cr       0.21856000       3.36320000      23.06297000       2.93261145       0.78139712      -2.74166521
Cr       0.24575000       1.63211000      20.67929000       0.45993731       0.40543543      -0.03842950
Cr       1.68824000       4.21332000      20.59763000      -1.62492040       1.00144984       1.83676470
Cr      -1.30004000       4.04117000      20.59616000       1.12735617       2.10390504       0.50285732
Cr       3.08820000       3.33861000       1.43853000       0.25505508       0.15886982      -0.55965191
Cr       1.49197000       1.00463000       1.44439000      -2.18798744      -1.80300804      -0.25054210
Cr       4.39003000       0.60212000       1.32940000       0.89844895       1.58917495       2.07124237
Cr       2.71064000       0.12136000      11.20888000       1.13515730      -0.77480363       1.47204574
Cr       4.15875000       2.55124000      11.16614000       1.59770544       2.14772974       1.04092811
Cr       1.18793000       2.63132000      11.03364000       0.67845136       0.07288744       2.37035960
O        1.49475000       0.49710000      19.32227000       1.84518796       1.96145739       2.58463613
O        4.66480000       0.88962000      19.44286000       0.43074101      -0.57268777       2.51256665
O        3.07798000       3.53393000      19.49104000       0.22125596      -2.02908608       0.36261724
O        4.42740000       2.31106000       0.26725000       0.18139161       0.33542594       0.84977415
O        1.75706000       2.52011000       0.22398000      -0.51105896      -0.15469360      -0.59669442
O        2.90228000       0.09968000       0.24502000      -0.49364289      -0.57599915      -0.47349954
O        1.16261000       4.26050000       9.94462000      -0.53371176       0.27688138      -0.39545115
O       -1.43701000       4.28973000      10.09002000      -2.00275025      -0.33682190      -1.58790159
O       -0.32404000       1.97559000       9.81137000       0.69255354      -0.33622409       0.62125500
O        1.37508000       1.07615000      12.32806000      -0.06508596      -0.38489905      -0.44561702
O        4.13815000       1.00127000      12.50371000       0.51448274      -0.10350527      -2.95262797
O        2.63708000       3.39416000      12.23234000       0.92998274      -0.57866660       0.20228812
O       -1.09530000       2.59352000      21.85188000      -0.57538831      -1.33274448       0.20539229
O        1.64613000       2.71695000      21.75605000       0.12390481      -2.15112025       0.76203419
O        0.24062000       4.87697000      21.76967000      -0.64751198       0.82778955       0.02215211
O        1.63135000       4.07445000       2.41384000      -1.07604719       1.38241477       1.89426741
O       -1.62990000       4.43745000       2.51997000       0.30311265       0.12733317       1.61303337
O       -0.15223000       1.66786000       2.55550000       0.51544015      -0.86545246       0.29418397
O        1.15948000       0.84660000       5.14810000       0.13627897       1.23817885      -1.25550230
O        4.39572000       0.82767000       4.98746000      -0.64087726       0.88272967       0.77418802
O        2.87388000       3.63644000       5.01492000      -0.76387988       0.55465666       0.86111143
O        4.11158000       2.37275000      14.81632000       2.91118895       1.22637828      -0.07260889
O        1.53351000       2.34093000      14.75285000      -1.95305511       1.24840372       1.81572771
O        2.86561000       0.15538000      14.77903000       0.50592596      -0.86239160      -0.18337437
O        1.75800000       4.16805000      24.23919000      -1.25571865       0.04338871       0.10341716
O       -1.01890000       4.16775000      24.17717000      -2.84074942      -0.85830480       0.83145862
O        0.32901000       1.82954000      24.20214000      -1.23046656      -0.72756155       0.87926505
O        0.30866000       0.00335000      21.58913000      -0.70361742      -1.53281406       0.57468060
O        3.00065000       1.63067000       2.33109000       0.57730738       0.06403134       2.51267605
O       -0.18355000       3.58115000      12.31485000      -0.45419552      -1.12444170      -1.63990400
O        5.70116000       0.07756000       7.26728000      -0.04764739       0.12073513       0.13673571
O        3.02065000       1.68441000      16.97398000      -1.29148458      -0.65606021       0.23335390
O        0.27210000       3.29747000      26.30275000      -2.37588726       0.89944489       1.97305672
O       -2.90120000       5.02814000       0.48395000       0.79476845       0.64251680      -2.50736678
O        2.80874000       1.74475000      10.06321000      -1.18000409       0.24149434      -0.63259876
O        0.22294000       3.20907000      19.65587000       0.09094978       1.32634623      -1.30292091
O       -0.06469000       1.46732000      17.00757000       0.05420721      -2.06124908      -0.48006868
O        1.61064000       4.24331000      17.15437000       0.39603115       1.36925112      -0.96561175
O       -1.74666000       4.23592000      16.99827000       1.45991850      -0.72210414       0.97657063
O        3.20629000       3.15964000      26.49073000      -0.22373056       1.53799893       0.11929815
O        1.85893000       0.95051000      26.35571000      -1.77151839      -1.71391937       1.58241576
O        4.37034000       0.75258000      26.37715000       2.39062196       0.39362990       2.14584433
O        2.76805000       0.04462000       7.24962000      -0.69631846       0.67751092       1.97524976
O       -1.50249000       2.80950000       7.42184000      -0.22997119      -0.32143801      -0.81171060
O        1.21603000       2.80521000       7.29470000      -1.38098804      -0.11288368       0.54916361
Zn      -2.68280000       5.08550000      27.07738000      -0.43888486      -0.10688628       0.33381408
Zn       2.78211000       2.00278000       8.10271000      -0.16039313      -0.83407188       0.10305193
Zn       0.33642000       3.06283000      17.67350000      -1.33958174       1.52455081       0.95175985
Zn       0.42804000       0.06364000      23.48925000      -0.87722110      -0.78508943       0.30406032
Zn       2.81029000       1.88038000       4.44108000      -0.47021618      -1.37319864      -0.85728233
Zn      -0.08497000       3.39909000      14.29258000       0.03250377      -0.57008067      -0.67706044
Zn       5.60415000       0.14837000      13.45145000       1.12625494      -0.72957262      -0.29586466
Zn       3.32430000       1.68964000      22.94909000      -0.55468551      -0.28385124      -0.63848071
Zn      -0.32747000       3.50263000       3.63666000       0.87856306      -0.62680553      -0.12647777
Zn       5.73989000       0.02606000       9.35639000       0.04281894       0.38438367      -0.14758430
Zn       3.01427000       1.63520000      19.03651000      -0.43480079       0.23273530      -1.23593666
Zn      -0.04660000       3.32788000      28.32114000       1.72547882       0.51713066      -0.21881227
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.6940572 magmom=72.001423 free_energy=-551.6940572 stress="-0.042329698448686795 -0.004475914582013604 -0.005308321092435704 -0.004475914582013604 -0.042712779921747816 -0.002051490595561685 -0.005308321092435704 -0.002051490595561685 -0.03738932200876115" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34597000       0.68520000      15.99246000       0.59693967       0.69929392      -0.89320763
Cr       4.38242000       0.79445000      15.90282000      -2.30903002       0.73035000      -2.45914315
Cr       2.86019000       3.31900000      15.96380000       0.89492374      -0.46642854      -0.77959395
Cr      -1.34772000       2.43351000      25.47515000       2.53322014       1.25824686      -2.65744320
Cr       1.75098000       2.49114000      25.32299000      -0.89152879       1.32734998      -0.30862071
Cr       0.18247000       5.09448000      25.23033000       0.68744262      -1.17094729       0.69768162
Cr       1.33584000       4.44405000       6.24385000      -1.58534211      -2.11394443       0.23711792
Cr      -1.59814000       4.35164000       6.14814000       1.36219214       1.37788180       1.30318789
Cr      -0.32527000       1.71469000       6.32557000       3.06989598       1.95805435      -1.24120010
Cr       2.87499000       4.95331000      18.34838000       1.89727847       0.76662339      -1.02966516
Cr       3.12480000       1.59584000      27.56513000      -1.33385608      -0.00550101       2.39644010
Cr      -0.25331000       3.49344000       8.70457000       0.85880197       2.51116307       0.48455653
Cr       5.74107000       0.16810000       3.74845000       0.31514418      -3.04788457       3.06551135
Cr       2.79117000       1.79086000      13.55762000      -0.05570771      -0.36275779       0.24545186
Cr       0.26991000       3.28035000      22.95318000      -0.70332946       1.44049565       1.16658402
Cr       0.29445000       1.65868000      20.53093000      -0.73462587       0.66977828       4.03531508
Cr       1.67515000       4.24255000      20.67132000      -1.36394009      -1.39240069       0.94293153
Cr      -1.23430000       4.14112000      20.67523000      -1.21573696      -0.65432273       0.49605118
Cr       3.13054000       3.43882000       1.34753000      -2.43412584       0.55963795       0.97688718
Cr       1.59838000       0.91395000       1.34524000      -2.84646770       0.15927449       1.45439203
Cr       4.34022000       0.68384000       1.43293000       1.92659678       1.61110465       0.07024633
Cr       2.74292000       0.12245000      11.35480000      -0.70727788      -2.19481720      -4.35311325
Cr       4.16331000       2.60514000      11.16905000       0.02396700       1.08243457      -2.03071214
Cr       1.19000000       2.67824000      11.06816000       0.51368793      -2.15310510       0.96088065
O        1.54160000       0.59708000      19.70540000       0.38455824       0.28801421      -3.63818053
O        4.72402000       0.80058000      19.75280000      -1.10463371      -0.49065418      -3.00448425
O        3.12860000       3.38412000      19.44962000      -0.22037418       2.51677083       1.20742231
O        4.29938000       2.43612000       0.25068000       1.33157839      -0.56614240      -0.18737447
O        1.77256000       2.44829000       0.09044000      -0.12348646       0.31150791       1.04758937
O       -0.00821000       5.08601000       0.28108000      -0.10041264       1.61795625      -0.47134946
O        1.07920000       4.27852000      10.10019000       0.42900161       0.64915240      -1.62450747
O       -1.51148000       4.46629000      10.05516000      -0.54778489      -2.13544912      -0.40283569
O       -0.36065000       1.95568000       9.90939000       0.62289365      -0.11687399       0.15190903
O        1.49289000       0.90790000      12.44675000      -2.73157874       1.24523015       0.89291619
O        4.08914000       0.99998000      12.27737000       1.86894464       0.37564804       1.92035040
O        2.69818000       3.26539000      12.18296000      -0.56512620       1.26356968       2.13843419
O       -1.09710000       2.49865000      21.75127000       0.40580294       0.33565449      -0.03259151
O        1.61673000       2.64639000      21.81456000       0.61438098      -1.06744406      -1.23555530
O        0.07732000       5.03977000      21.86324000       0.99039299      -1.39612773      -0.45276918
O        1.61076000       4.24524000       2.58971000      -0.79828484      -0.55698986      -0.72053968
O       -1.70198000       4.46542000       2.60766000       1.41103059      -0.15963663      -0.46154270
O       -0.15910000       1.48143000       2.55452000       0.94220516       3.53942793      -1.95055503
O        1.08238000       0.97289000       5.01940000       0.54120579      -0.21997889       0.86039834
O        4.36254000       0.87598000       5.08635000      -0.63189537       0.43860592      -0.87017676
O        2.89437000       3.69435000       5.14800000      -1.72640464      -1.04393273      -1.49356373
O        4.25722000       2.55295000      14.80546000      -1.12326708      -1.31387927       0.11137944
O        1.42204000       2.35615000      14.92914000       0.61095205       0.56476309      -0.24262593
O        2.80309000       0.12518000      14.79566000       0.72897469       0.15214522      -0.17538668
O        1.60536000       4.12838000      24.13696000       0.18231198       0.47238663       0.61612361
O       -1.16146000       4.07505000      24.28392000       1.04490278      -1.44694560      -0.17749047
O        0.38907000       1.77899000      24.18162000      -1.44353246      -0.33637504       0.23423676
O       -2.81136000       4.97301000      21.59250000       1.86448941       1.02087037       1.69344947
O        3.07493000       1.77297000       2.48247000      -1.07114889      -0.32494493      -1.15235298
O       -0.26984000       3.44866000      12.10747000       0.52341622      -0.31859826       2.50868293
O        5.70774000       0.06556000       7.27250000       0.81009083      -0.08327265       1.27816465
O        2.85623000       1.56570000      16.96190000      -0.01604843       0.33092053       0.94476027
O        0.19034000       3.33526000      26.31137000       0.16846981       0.19265851       0.22248632
O        0.00294000       0.23908000       0.31328000       0.69606298      -1.79736970       1.37760348
O        2.61075000       1.71168000      10.09958000       0.99395691       1.04894393      -0.29509539
O        0.22644000       3.33196000      19.51637000       0.25652044       0.53036106       1.16323885
O       -0.24059000       1.40081000      17.06612000       2.66149146       0.76419258       1.52675936
O        1.61597000       4.36656000      16.96228000      -1.26306812      -1.73343972       1.74189926
O       -1.63493000       4.18481000      17.03499000      -0.19524674      -0.09463547       0.88930595
O        3.16710000       3.30574000      26.50667000      -0.12376339      -2.31741387      -0.81386105
O        1.68426000       0.85534000      26.40893000       2.44021732       0.52676457      -1.13626810
O        4.50971000       0.77786000      26.46809000      -0.91577908       0.33796221      -0.81386094
O        2.81389000       0.04507000       7.40658000      -0.34086230      -0.50750372      -0.35641496
O       -1.48318000       2.73451000       7.39748000      -0.65858651       1.04427233      -0.16484202
O        1.13233000       2.85192000       7.41491000      -0.08367913      -1.04994693      -0.03776786
Zn      -2.70795000       5.06301000      27.11365000      -0.70423139       0.11210736      -0.01394772
Zn       2.84415000       2.01777000       8.09479000      -1.70177462      -1.41781505       0.63113052
Zn       0.20520000       3.18030000      17.65840000      -1.16540379       0.67663658      -1.06859288
Zn      -2.47533000       5.08380000      23.56601000      -2.13501363       0.25734954      -0.94528938
Zn       2.68725000       1.80617000       4.33810000       0.34708458       0.53803407       1.18516605
Zn      -0.02004000       3.36005000      14.23340000      -0.42863317       0.72148122      -1.34654405
Zn       5.60637000       0.10242000      13.37174000       0.76484168      -0.37187630      -0.40838006
Zn       3.44657000       1.68536000      22.82034000      -1.35021048      -0.39514609       0.43389257
Zn      -0.21870000       3.51437000       3.61919000       0.42913230      -0.29556320       0.30872624
Zn       5.69324000       0.06362000       9.41435000      -0.38289149       0.03365187      -0.29223338
Zn       3.02890000       1.62531000      19.14522000       0.45788595      -1.72752292      -1.35866612
Zn       0.03083000       3.32424000      28.31316000       0.63120390      -1.21114077      -0.52091580
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.60913039 magmom=71.9984394 free_energy=-552.60913039 stress="-0.04670414618373141 -0.0011179321410305278 -0.0036615883316726524 -0.0011179321410305278 -0.028982302723163045 -0.002122011728209085 -0.0036615883316726524 -0.002122011728209085 -0.03767341966322119" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33002000       0.78696000      16.05862000       0.34072407      -1.53226111      -1.17200561
Cr       4.28556000       0.84603000      15.82258000       1.59592198      -1.09117833       2.08512701
Cr       2.87651000       3.29283000      16.02541000       0.02031033       0.59455068      -0.18908807
Cr      -1.26698000       2.50202000      25.43569000       1.45129659      -2.24249268      -1.15693435
Cr       1.81989000       2.49993000      25.24464000      -3.54937247      -0.49643141      -1.58243283
Cr       0.26240000       5.10040000      25.22898000      -0.66599730      -1.69227304      -0.34273625
Cr       1.42160000       4.34155000       6.30539000      -2.72058644       0.18618838       0.43191218
Cr      -1.54978000       4.39379000       6.17087000      -0.35182768       0.41101352       0.11530890
Cr      -0.28393000       1.73160000       6.31295000       0.77392702       1.69619774      -0.19631959
Cr       2.87778000       4.87367000      18.23652000       0.68051310       1.38905301       3.10385514
Cr       3.03157000       1.54980000      27.48393000       1.70528870       0.99352944       4.61825992
Cr      -0.21085000       3.53124000       8.76437000      -0.89157408       0.20497293      -1.69324712
Cr       5.80003000       0.14903000       3.79832000      -1.05797616      -0.20212522      -0.28272565
Cr       2.71752000       1.74162000      13.56514000       1.42092819      -0.06095087       1.52937363
Cr       0.30532000       3.26647000      22.89933000      -1.09143526      -1.05511024       1.97012210
Cr       0.29021000       1.67396000      20.55616000      -0.97784265      -1.00943513      -0.13808270
Cr       1.64406000       4.22798000      20.74467000       1.37092721      -0.33848027       0.16670666
Cr      -1.24961000       4.23759000      20.74883000      -1.10064858      -0.49042025      -1.88053268
Cr       3.04855000       3.54203000       1.30623000      -0.80143504      -1.73913196       1.53884486
Cr       1.54283000       0.83985000       1.31183000       0.68196361       2.63576746       2.61527481
Cr       4.39826000       0.87877000       1.50968000       0.09129755       1.16750514      -1.68461619
Cr       2.74134000       0.02615000      11.30424000      -0.78669664       1.10635138      -0.85175423
Cr       4.16432000       2.71643000      11.09590000      -1.02429574      -2.19983201       1.65635410
Cr       1.23021000       2.62485000      11.17733000      -0.49484394      -0.28449472       0.87431307
O        1.56338000       0.69715000      19.55780000      -1.94706620      -1.51738295      -0.59792543
O        4.65856000       0.67548000      19.61843000       1.32170409       0.51808688      -0.68055159
O        3.13477000       3.55010000      19.63986000      -0.19389212      -1.43661055      -0.74127856
O        4.35522000       2.49573000       0.27424000      -0.22939114      -0.07845410      -0.55699049
O        1.78516000       2.42646000       0.15850000      -0.29837954       0.64338502      -0.33823194
O        2.96082000       0.11712000       0.25065000       0.88117646      -0.84988690      -0.31439042
O        1.03106000       4.32369000      10.02107000       0.74106322      -0.37337495       0.80240461
O       -1.65893000       4.20676000       9.93587000       0.61559241       1.43314108       0.64497163
O       -0.26535000       1.98271000      10.03740000       0.18612868      -0.43502376      -0.74928495
O        1.28885000       0.94837000      12.57313000       1.07371685       0.21399556      -2.32733454
O        4.20428000       1.05688000      12.22899000      -1.72457140      -0.85343631       0.55850897
O        2.69021000       3.28641000      12.42279000      -0.25906841       0.86325104      -1.02481093
O       -1.00529000       2.48881000      21.67065000      -1.46307263       0.47487686       1.08266974
O        1.60817000       2.42498000      21.70783000       1.11709485       1.07453383       0.74077046
O        0.12697000       4.89816000      21.85714000       1.36414706       0.96050501       0.73006671
O        1.50085000       4.42598000       2.65749000       0.60530426      -0.59177819      -0.67927101
O       -1.60628000       4.48756000       2.63580000      -0.36677604      -0.53494285      -0.08937167
O        0.00867000       1.71368000       2.40240000       0.25148127      -0.17254412       1.82585399
O        1.05494000       1.00674000       5.06966000       0.78922422      -0.86448210       0.92364805
O        4.29200000       0.95897000       5.10724000       0.47007915      -1.09049028      -0.08658450
O        2.69334000       3.65157000       5.08315000       1.55195100       0.21297639      -0.39903372
O        4.21368000       2.48919000      14.82035000      -0.33482269       0.15676066      -0.66810443
O        1.42707000       2.46543000      15.06803000       0.03471175      -0.36322906      -1.87750739
O        2.84917000       0.15576000      14.78737000      -0.85105857      -0.48794124      -0.69275528
O        1.46553000       4.12814000      24.16266000       2.82552514      -0.01881137      -0.23740060
O       -1.11152000       3.84771000      24.25581000      -0.15631521       3.68520834      -2.26661392
O        0.20844000       1.74243000      24.23258000       0.71386285      -0.24730499       0.03998715
O       -2.72753000       4.96639000      21.78395000      -0.37326732       0.90361843      -1.37309324
O        2.96946000       1.85421000       2.40034000      -0.33603214      -0.28159881       0.19202089
O       -0.25299000       3.31261000      12.23565000       0.18241141       1.97030206      -0.34119938
O        5.80979000       0.06162000       7.39372000      -0.40333086       0.12445719      -0.27278253
O        2.72656000       1.53497000      17.04450000       2.05416873       1.11577844       0.42973594
O        0.09854000       3.42642000      26.35962000       1.77245932      -0.05923955       0.11394014
O        0.08012000       0.18909000       0.40501000      -1.59552276      -1.70540758      -1.19616403
O        2.59589000       1.85499000      10.11790000       1.33869706      -1.05083760      -0.26530200
O        0.25708000       3.53011000      19.62211000      -0.71485439      -1.63347024      -0.56961560
O       -0.03237000       1.39039000      17.22666000      -1.28023397       0.79070960      -1.27896240
O        1.47098000       4.31137000      16.98711000       1.28790680       0.27209763      -0.27697211
O       -1.59844000       4.11688000      17.15225000      -1.45684212       0.89785918      -1.53271210
O        3.12350000       3.16162000      26.38693000       0.45321426       1.42803590       1.14936738
O        1.82938000       0.76423000      26.28758000      -1.49673918       0.52357762      -0.15255012
O        4.54977000       0.83272000      26.42941000      -0.79407103      -0.30305005       0.03079029
O       -0.15767000       5.03980000       7.48446000       0.44003162       1.01236049      -0.56761720
O       -1.50693000       2.85441000       7.30924000      -0.80895209      -1.12619911       1.39423017
O        1.01171000       2.73805000       7.49037000       1.96858154      -0.44112798      -0.43020066
Zn      -2.75783000       5.04045000      27.13754000       0.31199607      -0.26484053      -0.80349961
Zn       2.82120000       1.95794000       8.11525000      -0.74936515      -0.70233236      -0.31316412
Zn       0.02171000       3.32721000      17.61533000      -0.01572114      -0.86251214       1.31852168
Zn      -2.53010000       5.00138000      23.60792000      -0.60755456       0.24560666       1.21097546
Zn       2.58958000       1.75756000       4.28742000       1.32246984       0.72064388       0.18921600
Zn       0.01794000       3.35320000      14.11812000      -0.84301143       0.38779741       0.82560039
Zn       5.64683000       0.03459000      13.29467000      -0.33244719      -0.21649975       0.93805690
Zn       3.49463000       1.65765000      22.72507000      -1.28322063      -0.42436869       0.39000963
Zn      -0.09045000       3.50783000       3.61895000       0.03903624      -0.15365574      -0.15711817
Zn       5.62834000       0.10823000       9.45020000       0.08865022       0.29047575      -0.64862495
Zn       3.07884000       1.56830000      19.17593000       0.93869270       1.72369834      -1.00571040
Zn       0.14072000       3.27435000      28.28299000      -0.44406552       0.54658217       0.44640667
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.12287825 magmom=71.9982993 free_energy=-552.12287825 stress="-0.04158773913872855 0.00539826832305254 0.0033823682917643034 0.00539826832305254 -0.04637449081169367 0.012564617008297316 0.0033823682917643034 0.012564617008297316 -0.03915179056768321" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32553000       0.80108000      16.09631000       1.61991993       1.17703924      -2.81622395
Cr       4.27571000       0.82820000      15.85382000       1.45701556      -0.74713987       1.21859775
Cr       2.88121000       3.33012000      16.11321000      -2.09673502      -1.60134345      -4.40630934
Cr      -1.15055000       2.47000000      25.36626000      -2.08838635       1.53267894      -0.68879716
Cr       1.74340000       2.46710000      25.16845000       0.82850176      -0.28790478       0.94357364
Cr       0.31454000       5.03913000      25.25992000      -1.05874314       0.02995407      -2.57550580
Cr       1.35412000       4.23671000       6.38193000       0.98682246       1.79201611      -1.83071750
Cr      -1.51620000       4.43877000       6.23497000      -1.61753140      -2.23982987       1.04557559
Cr      -0.19289000       1.85472000       6.29006000      -1.45339874      -1.13666844       0.31646403
Cr       2.93156000       4.86508000      18.22501000      -0.74768940       1.70798440       1.74740725
Cr       3.02386000       1.56938000      27.53541000       0.82954052       1.55061837       0.78286388
Cr      -0.20720000       3.58771000       8.73312000      -0.08364640      -2.11820687       0.12737383
Cr       5.80416000       0.09893000       3.85335000      -0.39383604       0.89346855      -0.40589646
Cr       2.71484000       1.69862000      13.62684000      -0.09039429       0.34022082      -1.63467103
Cr       0.29095000       3.21042000      22.96257000       1.22574616       0.27438338      -0.71157288
Cr       0.22090000       1.64483000      20.59049000      -0.22003486      -0.05871890      -0.74608922
Cr       1.69375000       4.18396000      20.77756000       0.80967741       0.09740024      -1.24366687
Cr      -1.31533000       4.30145000      20.71765000       1.80052285      -1.33895274      -0.36821191
Cr       2.91511000       3.52184000       1.37293000       0.50856045      -0.41159862       1.27904540
Cr       1.49540000       0.90150000       1.39122000       0.26890091      -0.85901475      -0.76327155
Cr       4.47587000       1.13238000       1.48504000       0.07208391      -2.58251657      -0.74039917
Cr      -0.25524000       5.10241000      11.17979000      -0.09912474       2.87413853       0.00716206
Cr       4.12174000       2.68620000      11.11878000       1.44048538      -1.09633419       2.24906344
Cr       1.25254000       2.55162000      11.31549000      -0.41047080       2.86709220      -2.70761008
O        1.31599000       0.52900000      19.30635000       2.88648168       1.95821851       1.44644574
O        4.77730000       0.65696000      19.39311000      -1.68315401       0.69821061       2.78094618
O        3.11560000       3.51911000      19.69633000       0.39140247      -1.84606531      -1.66170970
O        4.34185000       2.53828000       0.21108000       0.13686059       0.86916051      -0.50168161
O        1.78714000       2.47512000       0.19578000      -0.49080183      -0.75480997      -0.56662934
O        3.10361000       0.17696000       0.21281000      -0.74382586      -0.79257615       0.96260032
O        1.07066000       4.26140000      10.06070000       0.81532310      -0.02626333      -0.40939246
O       -1.62393000       4.17694000       9.92188000      -0.15197242       1.66218288       0.25915814
O       -0.15456000       1.99934000      10.05253000      -1.02101435      -0.22945213      -0.50792907
O        1.29551000       1.05052000      12.31971000       0.09043480      -2.74350743       1.35513260
O        3.98889000       0.99284000      12.31933000       0.80073430      -0.12960069      -0.46974390
O        2.62582000       3.36563000      12.50027000       0.72414851      -1.01160687      -1.36594130
O       -1.08653000       2.60284000      21.75354000      -0.10037747      -0.45543395      -0.02509594
O        1.70172000       2.41294000      21.68844000      -0.24734788       0.25064102       0.73778427
O        0.37422000       4.83062000      21.91846000      -1.50026735       1.54043147      -0.29093443
O        1.54698000       4.55126000       2.55959000       0.13539645      -0.46360827       0.23295742
O       -1.62343000       4.45233000       2.60245000      -0.10549928      -0.17126981       0.52229054
O        0.18215000       1.87363000       2.51779000      -1.19500576      -1.32140871       0.49329269
O        1.13937000       0.86691000       5.26418000       0.73597208       1.65355853      -2.18254444
O        4.35690000       0.83856000       5.12338000      -0.04216447       0.24546711      -0.08580872
O        2.72641000       3.68475000       4.98701000       0.63579006      -1.19529333       1.08360793
O        4.03785000       2.40312000      14.78347000       2.29532482       1.38338686       0.33086611
O        1.51818000       2.45587000      14.91613000      -1.57180573       0.17572737       0.79719052
O        2.79489000       0.15122000      14.73946000      -0.33887712      -1.36570393       1.14422281
O        1.71618000       4.09139000      24.17537000      -1.55988984      -0.21757624      -0.10929088
O       -0.98555000       4.12704000      23.96038000      -0.05123673      -0.44420427       2.84696358
O        0.15790000       1.72746000      24.26584000       1.22114217      -0.67506853      -1.18637727
O        0.27806000       0.04458000      21.71890000      -1.20532636      -0.16013550       0.47688241
O        2.84985000       1.84321000       2.29141000       1.28774697      -0.22484328       2.86016547
O       -0.21096000       3.53290000      12.21425000      -0.88458105      -1.25260853      -0.15850492
O        5.82063000       0.09175000       7.39026000      -0.73021697       0.06995046      -0.37697614
O        2.92352000       1.68406000      17.11857000      -0.30401429      -0.75365064      -0.21814317
O        0.29340000       3.44983000      26.32036000      -0.00426113      -1.28659748       0.13987202
O        2.91410000       5.08132000       0.42043000       0.56761319       2.90328557      -1.15087955
O        2.78506000       1.83805000      10.13793000      -1.46976917      -1.18979962      -0.79479491
O        0.17924000       3.42016000      19.73880000      -0.06451652      -0.06895872      -1.83193087
O       -0.03926000       1.52023000      17.14290000      -1.50192437      -0.38560634      -0.42364525
O        1.49940000       4.28961000      17.00602000      -0.71099965       0.24481861       0.37286443
O       -1.70442000       4.21448000      16.98619000       1.88889609       0.46021336       0.57305715
O        3.15477000       3.22287000      26.35643000       0.25082258      -0.71440360      -0.23966554
O        1.75309000       0.79483000      26.14159000      -0.04225463      -0.22636266       1.83263578
O        4.45976000       0.85337000      26.36113000       1.10226672       0.26049601       1.42958899
O       -0.11142000       5.03238000       7.42249000       0.26344778       0.74206031       0.42407415
O       -1.60007000       2.83929000       7.40529000       1.26076660      -0.57271083      -0.13509548
O        1.16743000       2.60585000       7.46021000      -0.77481270       1.31218434       0.19688536
Zn      -2.79391000       4.99985000      27.11796000       0.17576526       0.17809992      -0.55347085
Zn       2.75843000       1.85612000       8.13046000       0.70909035      -0.47291317       0.45206429
Zn      -0.16042000       3.43486000      17.62333000       1.75035382      -0.95028796       1.39131426
Zn      -2.62941000       4.93908000      23.69448000       0.29227823       1.08823391      -0.79083019
Zn       2.56237000       1.74706000       4.26512000       1.37384278       0.41009434       0.53906142
Zn       0.01643000       3.37060000      14.05423000      -0.62350316      -0.04760369       1.59622116
Zn       2.72661000       5.08095000      13.26462000      -0.18774034       1.34796765       0.84058614
Zn       3.46577000       1.60575000      22.66935000      -1.37769155      -0.37110096       0.92079778
Zn       0.03781000       3.49772000       3.62367000      -0.30658313       0.72966677       0.03926472
Zn       5.56339000       0.16553000       9.44971000       0.60540206      -0.22934526      -0.46001218
Zn       3.16070000       1.57992000      19.14384000      -1.20076537       0.33130472      -0.64222481
Zn       0.22274000       3.25092000      28.27317000      -1.69288911       1.57625055      -0.01772541
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.34034734 magmom=72.0030478 free_energy=-551.34034734 stress="-0.0370116187754573 -0.0008173536506518971 -0.001977586995632186 -0.0008173536506518971 -0.038932157990705346 0.0028922477458734872 -0.001977586995632186 0.0028922477458734872 -0.03874549287768512" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36038000       0.86384000      16.02375000      -0.04653560       1.22580913      -1.56887366
Cr       4.36026000       0.75792000      15.96544000      -2.20796316       0.70048955      -3.42161098
Cr       2.79017000       3.36507000      16.06739000       1.01229332      -0.63109894      -3.38340131
Cr      -1.15274000       2.48438000      25.27377000      -0.37200750      -0.20449086      -0.12200501
Cr       1.73671000       2.38192000      25.19556000       2.38916546      -1.02955560       0.55547639
Cr       0.31936000       5.01413000      25.23368000       1.37432130       2.11515917       2.18155991
Cr       1.32802000       4.24782000       6.34622000       1.67088813       1.93413848      -2.58502093
Cr      -1.57438000       4.38309000       6.35612000      -0.97254057       0.06675978      -1.12996974
Cr      -0.17351000       1.91218000       6.28176000       0.09439394      -2.67557915      -1.20331729
Cr       2.95686000       4.94538000      18.21607000       0.00015689       1.47997318       1.43395425
Cr       3.07619000       1.65982000      27.60487000       0.41416413      -0.63387237      -0.65934757
Cr      -0.21309000       3.53300000       8.70906000       0.77340341       0.06284561       1.77638500
Cr       5.78354000       0.07976000       3.89643000       1.66752779       0.39061283       0.39276793
Cr       2.72843000       1.66622000      13.62411000      -0.22645915      -0.40758273      -0.05958721
Cr       0.32346000       3.18919000      22.99014000      -0.07948509       2.40507755      -2.07712034
Cr       0.14100000       1.62897000      20.57136000       1.42791611       2.09973357       0.98098456
Cr       1.79078000       4.14638000      20.71845000      -1.82397110      -0.41812757      -0.20865960
Cr      -1.29132000       4.27910000      20.64648000       1.14105510      -0.79131000       0.62218672
Cr       2.81115000       3.48011000       1.50737000       2.18532720       1.79105599      -1.50280027
Cr       1.49032000       0.93733000       1.45259000       0.56002575      -2.29738683      -0.04757856
Cr       4.54352000       1.24162000       1.39463000      -0.54324099      -3.00291317       0.63487642
Cr       2.65966000       0.10848000      11.04890000       1.18787912      -2.52357424       1.14187800
Cr       4.14429000       2.55336000      11.26321000       0.91906560       0.77282483      -2.28572587
Cr       1.22539000       2.60929000      11.30636000      -0.72758496      -0.36384663      -2.83514202
O        1.46703000       0.65916000      19.34251000      -0.32814889      -0.08603958       0.27797708
O        4.73113000       0.68711000      19.63812000      -0.55233485      -1.16844505      -1.78977285
O        3.17217000       3.32732000      19.49280000       0.00409127       3.92817426       0.51565912
O        4.30797000       2.70935000       0.10503000       0.08570686      -0.02469418       1.10292915
O        1.76203000       2.40661000       0.17835000      -0.66830295       0.66074752       0.85052629
O        3.11928000       0.14636000       0.32540000      -0.71152382       0.87634598      -0.16776877
O        1.18758000       4.18445000      10.06181000      -0.48118432       0.39569218      -0.47079212
O       -1.55779000       4.45486000       9.91594000      -1.07444560      -1.89216848      -1.10679141
O       -0.23049000       2.02620000      10.01158000      -0.37047004      -0.28549331       0.26087969
O        1.36639000       0.81707000      12.22642000      -1.70544816       1.66689491       1.91325967
O        3.87318000       0.90999000      12.33793000       2.97130936      -0.06950255       0.14133274
O        2.70001000       3.23384000      12.32986000      -0.09516072       0.81177832       1.63089225
O       -1.14431000       2.68906000      21.83356000       0.08770729      -0.79409718      -0.82939344
O        1.70194000       2.52458000      21.78381000      -0.32916342      -0.92042520      -0.62680204
O        0.39442000       4.92313000      21.86279000      -1.07981778      -1.14794169      -1.18680976
O        1.67249000       4.60745000       2.49564000      -2.36684674      -0.74054517       0.88026493
O       -1.72024000       4.41951000       2.62213000       0.93011421      -0.16056023      -0.07352803
O        0.12611000       1.71228000       2.69572000      -0.37861049       0.79679436      -0.64235585
O        1.29299000       0.89372000       5.17960000      -1.66757932      -0.67735627       0.79750482
O        4.46746000       0.74248000       5.14607000      -1.03974368       1.27308720      -0.21905254
O        2.90663000       3.59904000       5.09140000      -0.36562096      -0.09769062       0.63307163
O        4.16382000       2.50436000      14.78382000      -0.58575865      -0.75421358       0.06427985
O        1.40733000       2.42177000      14.87198000       0.54053361       0.76820439       0.41567884
O        2.69503000       0.03395000      14.88173000       1.26287476       1.23948293      -0.61866341
O        1.66015000       3.96636000      24.16696000       0.30343381       1.23339211      -0.39492879
O       -0.86410000       4.28257000      24.11552000      -3.22229625      -2.46932322      -1.05686127
O        0.29808000       1.67912000      24.12894000      -0.86772587      -0.22300906       0.45666001
O        0.15073000       0.10134000      21.64039000       1.32336170      -2.06788614       1.46948252
O        2.96359000       1.77843000       2.53101000       0.26495304       0.61416920      -2.50915594
O       -0.31004000       3.53783000      12.07914000       0.58305091      -0.89825638       2.33949621
O        5.69033000       0.13526000       7.26446000       0.78072867      -0.05232200       1.28722689
O        3.07337000       1.72550000      17.04810000      -1.81656927      -0.63204870       0.24496144
O        0.46361000       3.28078000      26.21953000      -2.12593702       0.78685930       1.60956460
O       -0.07724000       0.19605000       0.32583000       1.16316080      -0.36453304       1.18856191
O        2.79003000       1.67197000      10.08616000      -0.38594239       2.48818903      -0.38657813
O        0.08028000       3.27879000      19.56846000       0.75848307       1.14162640       0.49796845
O       -0.26714000       1.56623000      16.95107000       2.94665915      -0.02047200       2.41005438
O        1.44196000       4.31913000      17.07788000       0.59144889      -0.66264155       1.00266059
O       -1.57751000       4.33565000      16.83141000      -2.50947752      -0.94571033       1.82905928
O        3.24324000       3.19236000      26.26128000      -0.63188189      -0.27208039       0.32510433
O        1.63908000       0.79763000      26.28666000       2.52969321      -0.33603506       0.44919375
O        4.53764000       0.91946000      26.45414000      -0.76478077      -0.03446364      -0.81112835
O       -0.04488000       5.07591000       7.40111000      -0.93966492      -0.36525098       0.63205803
O       -1.44612000       2.71999000       7.47605000      -1.45734305       0.32049997      -0.29156165
O        1.17117000       2.72518000       7.43713000       0.18451578      -0.82080054       1.15494499
Zn      -2.81731000       4.96508000      27.06553000       0.25609424      -0.05332647       0.10884261
Zn       2.72383000       1.72940000       8.16119000       0.35335468       0.68044275      -0.30058104
Zn      -0.25364000       3.48288000      17.71469000       1.56739110      -1.42188133       0.36989372
Zn      -2.70679000       4.93295000      23.75603000       0.96435944      -0.13092863      -1.07473104
Zn       2.61780000       1.76212000       4.28434000       1.69020977       0.50236871       2.29163464
Zn      -0.02527000       3.38887000      14.07970000      -1.32429418       0.17733475      -0.19737389
Zn       2.74387000       5.07256000      13.28236000       0.01028816       0.15259937       0.06659250
Zn       3.35913000       1.53885000      22.67206000      -0.54529491       0.76589309       1.01614115
Zn       0.14989000       3.52236000       3.63845000      -0.79186828       0.35436393       0.09575558
Zn       5.53068000       0.21164000       9.41454000       0.91273673      -0.55551689      -0.65267024
Zn       3.17947000       1.59734000      19.06558000      -0.75421906      -1.82850493      -1.09282418
Zn       0.21649000       3.31357000      28.26647000      -0.94659986       1.27408218      -0.45989768
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.45398555 magmom=72.0000521 free_energy=-551.45398555 stress="-0.04190163098652551 -0.005432573311208313 -0.005129022196002825 -0.005432573311208313 -0.036847487445249336 -0.0049042885272390065 -0.005129022196002825 -0.0049042885272390065 -0.04474849112091101" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35321000       0.95483000      15.91767000      -0.62768882      -2.22017341       1.11472040
Cr       4.38127000       0.72196000      15.96421000      -1.03872226       1.76283260      -0.65061045
Cr       2.75413000       3.41457000      15.90211000       1.14199821      -0.21246699       0.34443042
Cr      -1.19745000       2.47992000      25.19159000       1.37452921      -1.54929741       0.43543754
Cr       1.85764000       2.24151000      25.30850000      -3.52190611       1.79248507      -2.36091818
Cr       0.34433000       5.09097000      25.31456000      -0.73100978      -3.05808310      -0.78321720
Cr       1.38164000       4.36971000       6.17947000      -1.67932949      -1.52421615       2.00048195
Cr      -1.68540000       4.30902000       6.44414000       2.11859562       1.00176658       0.18068006
Cr      -0.15743000       1.82507000       6.23110000       0.51834068       1.12747388       1.01968065
Cr      -2.92128000       5.09985000      18.20565000      -0.80791184       1.60559304       2.16072769
Cr       3.15440000       1.72403000      27.64786000      -0.57639073       0.44947044       1.82594974
Cr      -0.19227000       3.46175000       8.77162000      -0.56766757       0.89945892      -2.24764035
Cr       5.83776000       0.08188000       3.93929000      -0.27606971      -0.57859809      -1.64102162
Cr       2.74484000       1.60695000      13.59628000       0.41866747       0.37221674      -0.34527523
Cr       0.33595000       3.29581000      22.88632000      -2.10961617       0.30446812       0.93339796
Cr       0.12532000       1.69376000      20.58389000       1.01825631      -2.64635791       1.55244497
Cr       1.80750000       4.09591000      20.61432000      -1.10368387      -0.08265606       0.47308037
Cr      -1.20629000       4.20872000      20.59115000      -2.46225011       1.16534596       0.37478312
Cr       2.82776000       3.55066000       1.57025000       1.11915524      -0.01553345      -2.09664225
Cr       1.52990000       0.84935000       1.50941000       1.19061480       1.70815661       1.15184355
Cr       4.54798000       1.16313000       1.30981000      -0.75547183      -0.39578714       2.62383451
Cr       2.65992000       0.13936000      10.98129000      -0.30405523      -1.28843295       2.45104114
Cr       4.22116000       2.45891000      11.30973000      -1.64737595       2.02519588      -1.05231180
Cr       1.16166000       2.69151000      11.12888000       1.77064216      -2.20177572       2.12222039
O        1.56825000       0.81316000      19.55301000      -1.32200411      -0.70608944      -0.94785255
O        4.61239000       0.62114000      19.68084000       1.30490620       1.52335931      -1.63857001
O        3.25915000       3.67880000      19.34627000      -0.21976470      -3.35692794       0.87467846
O       -1.63299000       2.87616000       0.19182000       0.28932215      -1.01056222       0.65055381
O        1.69214000       2.44023000       0.30534000      -0.02684071       1.19299315      -0.40978915
O        3.01561000       0.27566000       0.40865000       1.12429041      -0.90323077      -1.60461238
O        1.16560000       4.18764000       9.98227000      -0.51815337       1.62044313       0.07235106
O       -1.57345000       4.42805000       9.79651000      -0.29331004      -0.34627124       0.94561135
O       -0.37971000       2.02307000      10.01333000       1.45969123      -1.28900668      -0.10756433
O        1.30188000       0.77235000      12.43215000       1.46647557       1.33641557      -1.52207156
O        4.19781000       0.86108000      12.33580000      -1.56928464      -0.60064751      -0.14427022
O        2.73964000       3.13795000      12.36020000      -0.98193874       0.80152277       0.14978493
O       -1.10870000       2.62636000      21.74569000      -1.03815974      -1.21176362       0.51880083
O        1.59711000       2.51741000      21.74722000       1.06770898      -1.16706632      -0.56170138
O        0.21358000       4.80445000      21.60946000       1.69328955       1.51902778       2.58007086
O        1.50068000       4.51735000       2.60862000       0.56658906       0.05869355      -0.10679624
O       -1.70205000       4.39585000       2.64774000       0.81909495      -0.10662918       1.09234139
O       -0.01528000       1.58697000       2.72578000       1.02926123       1.44174162      -0.33406010
O        1.16733000       0.84085000       5.18571000       1.64170935       0.20750516       0.18853075
O        4.44687000       0.86852000       5.12011000      -0.58118044       0.23261520      -0.61371580
O        2.99708000       3.52009000       5.32571000      -2.24553681       0.07757532      -2.13646350
O        4.16582000       2.44956000      14.81039000      -0.33698528      -0.27411604      -0.31165376
O        1.41323000       2.52210000      14.89404000      -0.12016451       0.20157786      -1.82884431
O        2.81546000       0.15580000      14.92788000       0.17123164      -1.22956085      -1.39306808
O        1.53731000       3.99395000      24.18469000       1.56352656       0.46570198       0.75930064
O       -1.13843000       4.04925000      24.26838000       1.53419204       1.83074417      -1.35724019
O        0.33801000       1.69955000      24.07717000      -0.29889256       0.06208849       1.04839855
O       -2.73491000       4.88811000      21.73333000       0.25998504       1.18160797      -0.48878026
O        3.12304000       1.84375000       2.41419000      -1.76910057       0.02450378       1.82037125
O       -0.30142000       3.29340000      12.29124000       0.93151677       1.39821569      -1.79491046
O        5.67233000       0.15856000       7.30921000       0.27463570      -0.14592686       0.80343750
O        2.89558000       1.65219000      16.90532000       0.01234598       0.51116794       1.10468879
O        0.29957000       3.19023000      26.28827000       0.45601031       0.76820789       0.16699185
O        0.10404000       0.36040000       0.44439000      -1.11875354      -2.73576674      -2.42045648
O        2.68701000       1.85181000      10.06173000       0.06153066      -0.28612919       0.91910890
O        0.14036000       3.31211000      19.58872000       1.31563736       0.02051583      -0.04055408
O       -0.09771000       1.57419000      17.05661000      -0.48924229       0.34131111      -0.15171648
O        1.44284000       4.28650000      17.22401000       0.79209611       0.37585742      -1.27551950
O       -1.80627000       4.32328000      16.93024000       1.89539532       0.09623081      -0.56537245
O        3.22824000       3.10651000      26.22103000      -0.06613222       1.68476842       1.85307273
O        1.97514000       0.71865000      26.51673000      -1.41769880      -0.29558680      -0.47721703
O        4.54300000       0.98475000      26.41283000       0.74032104      -1.52513441       0.60625391
O       -0.12049000       4.97616000       7.43901000       0.23610646       0.43690634      -0.29764520
O       -1.43561000       2.67560000       7.45887000      -1.24799478      -0.36207453       0.33460495
O        1.13736000       2.78902000       7.50997000       1.07115736      -1.08674449      -0.99415865
Zn      -2.82346000       4.93491000      27.01194000       0.72457912       0.53370086       0.71891380
Zn       2.71078000       1.62676000       8.17456000       0.05486956       1.15232781      -1.10553735
Zn      -0.27166000       3.46188000      17.81443000       0.07927407      -0.29445294      -1.88796941
Zn      -2.73109000       4.93038000      23.75237000      -0.24175468       0.01300238      -1.46499412
Zn       2.76731000       1.79943000       4.40618000       0.46822675      -0.42653296      -0.07254753
Zn      -0.13664000       3.41875000      14.11581000      -0.49979237       0.26533276       1.50886682
Zn       2.75584000       5.07687000      13.32522000      -0.18058700      -0.57550960       0.70475635
Zn       3.20750000       1.49660000      22.72973000       0.02276595       0.23013818      -0.50819073
Zn       0.22464000       3.56917000       3.66819000      -1.57185288      -0.80595164       0.32040671
Zn       5.54611000       0.23056000       9.33735000       0.85401214      -0.87213513      -0.46850087
Zn       3.16557000       1.56257000      18.92519000      -0.28729439       1.26733419      -0.60626122
Zn       0.14912000       3.45470000      28.23958000      -0.00098568       0.29959721       0.30959183
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.71136997 magmom=71.9973402 free_energy=-551.71136997 stress="-0.03818389330225833 0.0019699990057425757 0.00041211913307679195 0.0019699990057425757 -0.023675835983088638 -0.01649836170796283 0.00041211913307679195 -0.01649836170796283 -0.03570157446276974" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29448000       0.91610000      15.90079000       0.97740872      -0.55172521      -1.51709750
Cr       4.34699000       0.77343000      15.95050000      -0.56865616       1.11650099      -0.01628707
Cr       2.79046000       3.46676000      15.78660000       0.19952919      -0.70049264       1.33507802
Cr      -1.18268000       2.39563000      25.17387000      -1.02658853       0.69099106       1.87765817
Cr       1.83222000       2.20781000      25.36596000      -1.62332098       2.59471506      -0.39994842
Cr       0.34295000       5.01870000      25.38687000      -0.67400950      -2.06881529      -0.98134978
Cr       1.33470000       4.41370000       6.12691000      -1.95449117      -1.23905001       2.53617328
Cr      -1.70168000       4.27291000       6.50861000      -0.35752709       0.22502621      -2.27176181
Cr      -0.11726000       1.79216000       6.24109000       0.03382526       0.96484968       0.84353300
Cr       0.01503000       0.18968000      18.27317000       2.20527189      -3.95331614      -1.15608038
Cr       3.20396000       1.79347000      27.76482000      -1.37563987       0.62644874      -0.86495518
Cr      -0.20076000       3.43422000       8.72224000      -0.34590274      -0.48303840      -0.49495385
Cr      -0.01373000       0.07462000       3.88615000      -0.83525522       0.55382922       0.23353037
Cr       2.78165000       1.58112000      13.53300000       0.55135655       1.55005551      -0.63235205
Cr       0.24672000       3.40201000      22.83908000       0.15429910      -2.68192376       2.68846085
Cr       0.16589000       1.61356000      20.65415000      -0.30480183      -1.10650116       0.95543310
Cr       1.78407000       4.07427000      20.53323000       1.18517250       1.04934894       1.81529754
Cr      -1.23102000       4.19555000      20.56993000       0.43362112      -0.77078413       0.47908821
Cr       2.92458000       3.61668000       1.51871000      -0.24076891      -0.70843051       0.13265026
Cr       1.61400000       0.83862000       1.59053000      -1.39150230       2.03814990      -1.03013603
Cr       4.48308000       1.05661000       1.33154000       1.91263115      -0.07786154       3.43959468
Cr       2.63960000       0.08180000      11.06162000      -0.07390579      -0.13589264       1.38602856
Cr       4.22037000       2.47514000      11.29174000      -0.60994247       1.80597216      -1.04522949
Cr       1.19862000       2.67365000      11.06652000       0.74889636      -0.18889771       2.60600024
O        1.44203000       0.75985000      19.56801000       1.71971252      -0.24325308      -1.84076560
O        4.69517000       0.76241000      19.47623000      -1.40739610       0.17792700       1.87864647
O        3.29146000       3.55796000      19.34402000      -0.84176652      -0.71419247      -0.17899737
O       -1.60075000       2.82786000       0.41683000       1.36123482      -1.23659184      -0.98510027
O        1.66027000       2.65280000       0.37631000       0.39381159      -1.05667317      -0.82624308
O        3.06753000       0.29272000       0.29139000      -0.13593284      -0.58522535       1.05369841
O        1.00119000       4.37274000       9.94874000       1.32188422      -0.84329553      -0.54942913
O       -1.58442000       4.28901000       9.84593000      -0.37504348      -0.11600534       0.87247385
O       -0.28906000       1.90094000      10.01827000       0.29296828       0.76216819      -0.29880477
O        1.46305000       0.97541000      12.37235000      -2.00614611      -1.31986670      -1.17893672
O        4.22418000       0.81536000      12.28186000      -1.03489708       0.04598507       0.28344252
O        2.63227000       3.17546000      12.41935000       1.41946157       1.28102613      -0.61939805
O       -1.18557000       2.42357000      21.71730000       0.03416571       1.30830140       0.91003507
O        1.59658000       2.39437000      21.64048000       0.55802809       1.12625918       1.49413459
O        0.26467000       4.86612000      21.71354000       0.23914638       1.01559586      -0.54161085
O        1.51502000       4.48079000       2.64761000       0.87372506       0.64639023      -0.78274332
O       -1.58695000       4.40159000       2.80487000       0.55169483      -0.09179215      -0.62507580
O        0.02362000       1.64304000       2.66434000       0.62666660      -0.10692140      -0.25087813
O        1.21765000       0.77398000       5.25188000       1.02275475       0.38080290      -0.36119647
O        4.43816000       0.96603000       5.05613000       1.43075547      -1.42541584       0.50994273
O        2.75861000       3.58790000       5.26002000       1.27882666       0.50141313      -1.21693068
O        4.07524000       2.34172000      14.79903000       1.69940184       1.33123424      -0.25394376
O        1.48223000       2.58104000      14.67066000      -0.99979947      -1.07783966       1.05030444
O        2.96378000       0.12697000      14.75996000      -1.31456476      -0.80820450       1.12025871
O        1.61292000       4.07389000      24.30276000      -0.29507981      -1.22646659      -0.98712935
O       -1.13846000       4.04079000      24.16990000       1.25815299       0.66145678      -0.15266566
O        0.31971000       1.77638000      24.20613000       0.30741890      -1.34368235      -1.30932902
O       -2.63633000       4.75861000      21.67714000      -1.43270104       1.94728874       0.25471067
O        2.98558000       1.91221000       2.48109000       0.28516744      -1.00560545       0.94867154
O       -0.16866000       3.28532000      12.19903000      -1.52756274       1.86939441       0.63484218
O        5.72626000       0.14555000       7.39170000      -0.48254976      -0.14724468      -1.40389827
O        2.71826000       1.66502000      16.89289000       1.53172229       0.46671276       0.02635946
O        0.16955000       3.24794000      26.33057000       0.99217016      -0.23779359      -0.19725549
O        0.13940000       0.10285000       0.32744000      -0.61795413       0.68947477       1.30169658
O        2.64445000       1.95667000      10.18055000       1.66129937      -2.40206386      -2.16127314
O        0.35186000       3.31941000      19.68593000      -2.47313736      -0.58220640      -2.45413003
O        0.04749000       1.70596000      17.12877000      -1.66058689      -0.67971643      -1.39091185
O        1.59016000       4.32162000      17.11111000      -0.71927521       0.72399906      -0.19462396
O       -1.76697000       4.31375000      16.95938000       0.91700685       0.86929455      -0.46615679
O        3.18049000       3.20441000      26.41636000       0.60155908      -2.02792511      -1.11355403
O        2.06401000       0.62202000      26.61295000      -1.91834407       1.70318987      -0.59433350
O        4.60834000       0.84110000      26.42027000      -0.67417614       1.18101347       0.27870108
O       -0.15705000       4.89821000       7.41108000       0.48554840       1.04324412       0.26048638
O        4.30389000       2.61386000       7.46393000       0.89298709      -0.39112117       0.08129323
O        1.21372000       2.68142000       7.41358000      -0.51577738       0.41751922      -0.10184374
Zn      -2.78993000       4.93689000      27.00027000       1.20907126       1.02109881       1.02510984
Zn       2.70134000       1.58976000       8.13995000       0.11381942       0.90921255       0.32900507
Zn      -0.27470000       3.42732000      17.81772000       0.88611614       1.07005871      -0.26646634
Zn      -2.75605000       4.93131000      23.67619000       0.43608403       0.73797407      -0.93255652
Zn       2.92723000       1.82379000       4.52511000      -1.76384995       0.16081223      -0.96897600
Zn      -0.27543000       3.45525000      14.20389000       0.21365838      -1.08101448      -0.74819705
Zn       2.76587000       5.05780000      13.39882000       0.13297635      -0.03771240      -0.65405963
Zn       3.06400000       1.47414000      22.78251000       0.47994372       0.56732549      -0.21492372
Zn       0.21062000       3.57041000       3.72577000      -1.31847734      -0.81913686       0.05992153
Zn       5.60618000       0.19823000       9.24720000       0.15390631      -1.40551665       1.18575212
Zn       3.13120000       1.58716000      18.76296000      -1.05388348       0.75668583       0.81147107
Zn       0.07973000       3.60538000      28.22813000       0.16635584      -0.90953407       0.53300587
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.29252984 magmom=71.9964392 free_energy=-551.29252984 stress="-0.025796992175158823 -0.004842912946842071 -0.0006020745699798942 -0.004842912946842071 -0.05079079102987246 0.00787561772290717 -0.0006020745699798942 0.00787561772290717 -0.04320968923228467" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.27887000       0.83846000      15.85494000       1.74009006       2.06864125      -2.87683293
Cr       4.29681000       0.88701000      15.96540000      -0.12560713      -0.01108808      -2.25867536
Cr       2.84149000       3.48505000      15.76142000      -0.48253289      -0.60473854       0.03321940
Cr      -1.21315000       2.31992000      25.28077000      -0.80631351       0.89540721      -0.95281780
Cr       1.71548000       2.31773000      25.41869000       0.62802580       0.44048604      -1.74040703
Cr       0.30863000       4.86038000      25.41353000      -0.45766803       3.54680930      -0.83651184
Cr       1.18961000       4.36241000       6.21283000       2.07586554      -0.54098757      -1.04860400
Cr      -1.70637000       4.25442000       6.44326000       0.03089756       0.37498962      -2.81501432
Cr      -0.07520000       1.81420000       6.29249000      -0.64781968      -1.66395122      -2.07559940
Cr       0.06891000       0.20870000      18.28633000      -0.84222024      -2.58408860      -2.65901421
Cr       3.19073000       1.86405000      27.89313000      -0.66932771      -2.11239029      -2.29105594
Cr      -0.22911000       3.39859000       8.65064000       0.70603837       0.32743676       2.55563047
Cr       0.01130000       0.10669000       3.82703000       1.81131399       1.09511477       1.15318255
Cr       2.81866000       1.64229000      13.43625000      -1.67652716       0.72597528       1.38247557
Cr       0.18442000       3.36152000      22.92315000       2.79996326      -1.65582130      -0.77910536
Cr       0.20161000       1.46752000      20.72487000      -0.15052829       4.98018201      -1.11855541
Cr       1.79615000       4.10515000      20.51357000      -3.10143504      -0.30191058       1.22813164
Cr      -1.26368000       4.14507000      20.56871000       1.68526308      -1.30661892       0.37982187
Cr       3.02403000       3.59618000       1.45735000       0.90741001      -2.27297469       2.64847963
Cr       1.62636000       0.95409000       1.61108000      -1.12333106      -0.59191224      -1.50659880
Cr       4.48605000       0.97246000       1.47699000       2.08585579       0.58675550       1.72721944
Cr       2.62488000       0.00795000      11.18876000       1.32718197       1.09971557      -3.46842667
Cr       4.18322000       2.58842000      11.21122000       1.05242349      -0.84239047      -1.71737719
Cr       1.29956000       2.63673000      11.15193000      -0.59445194       1.28408723      -1.44466038
O        1.58156000       0.61717000      19.32117000      -0.40102153       0.23248090       1.70721248
O        4.63193000       0.89579000      19.53894000       0.98008465      -1.84987522      -0.35637001
O        3.19310000       3.34376000      19.42279000       0.36370127       2.49710346      -0.12843028
O       -1.36125000       2.60720000       0.49394000      -0.91306072       1.09091018      -1.30458644
O        1.75117000       2.67152000       0.30928000      -0.23450440      -0.70791578       0.01363185
O        3.10920000       0.25415000       0.37266000      -0.92916774       0.79654443       0.44226352
O        1.01136000       4.37236000       9.86096000       1.06825770      -1.25533922       0.26384260
O       -1.60438000       4.13075000      10.05216000      -0.70051597       0.80681818      -1.89362119
O       -0.11990000       1.94330000       9.98722000      -0.60906852      -0.63056240      -0.38301803
O        1.37716000       1.02334000      12.15960000      -1.08565702      -0.42264144       2.50428599
O        4.01273000       0.86606000      12.24668000       2.21272579       0.00538900       0.34218053
O        2.76170000       3.35297000      12.33068000      -0.02706192      -0.43781576       0.34015481
O       -1.16917000       2.48543000      21.82790000       0.27421175       0.61379332      -0.84054730
O        1.59517000       2.49644000      21.74092000      -0.06016783      -0.18218911      -0.29720962
O        0.39176000       4.97399000      21.78999000      -1.16816129      -1.35423168      -1.12724075
O        1.76193000       4.56634000       2.52187000      -2.04068757      -2.06429239       1.26876283
O       -1.44819000       4.45385000       2.82278000      -0.04803047      -0.35655451      -1.30348838
O        0.17120000       1.64354000       2.57500000      -1.17266494       1.17209009       1.09745893
O        1.41247000       0.78107000       5.27365000      -0.70782670       0.37671397      -0.12495432
O        4.63425000       0.82033000       5.10006000      -2.39241235       1.50560685      -0.32178697
O        2.67365000       3.76370000       5.01315000       0.97799718      -2.25855533       1.53963370
O        4.16814000       2.40961000      14.74612000      -1.78882112      -0.84216911      -0.02094378
O        1.44007000       2.41526000      14.63955000      -0.31551790       0.99494949       0.76784443
O        2.89660000       0.09348000      14.77938000      -0.48611096       0.96299291       0.00737827
O        1.60753000       3.93973000      24.26279000       0.76103290       0.67878730      -0.42168011
O       -0.93365000       4.21232000      24.06546000      -3.08988492      -0.09760133       1.89456293
O        0.30761000       1.67876000      24.17765000      -0.62709538       0.12182867      -0.10111957
O       -2.74730000       4.97625000      21.57345000       0.74551738      -1.79911995       1.43373099
O        2.89016000       1.81714000       2.66398000       2.05869389       0.72486472      -0.93339421
O       -0.26656000       3.55240000      12.11207000       0.50698423      -2.59404564       2.62712435
O        5.69872000       0.09287000       7.22497000      -0.37276021      -0.17041522       1.76663393
O        2.78881000       1.75935000      16.79282000      -0.24821698       0.25754897       0.31734076
O        0.21085000       3.24850000      26.30764000      -0.23411684      -1.19965118       1.81755741
O       -2.92136000       5.08912000       0.41505000       0.96983828       2.40939894      -1.21833470
O        2.80444000       1.66300000      10.04803000      -0.93631788       1.15950076       0.54318011
O        0.25073000       3.24758000      19.51453000       0.22040730       0.08560725       2.29661381
O       -0.10564000       1.69131000      16.92138000       0.06819442      -0.45849579       1.09333905
O        1.64381000       4.44781000      16.93229000      -0.56805598      -0.95088272       2.04673439
O       -1.57499000       4.41498000      16.86038000      -1.35941289      -1.43853962       1.39929279
O        3.23849000       3.04571000      26.41358000      -0.02420587       2.01961508      -0.28743609
O        1.82095000       0.78962000      26.52390000       1.29012318      -0.64579509       0.41027719
O        4.52414000       0.85178000      26.46159000       0.15060972      -0.84927128       0.91721127
O       -0.15487000       4.94270000       7.41242000      -1.18243469       0.04743357       0.49007893
O        4.34574000       2.54615000       7.44632000      -0.09160825       0.35543496      -0.45283028
O        1.18248000       2.67806000       7.29964000       0.97152089       1.13278075       1.87778420
Zn      -2.70377000       4.98144000      27.03880000      -0.61076907      -0.09814397       0.55596348
Zn       2.69715000       1.60663000       8.11908000       0.15732274       0.88245817       0.33789772
Zn      -0.23420000       3.44401000      17.78973000       0.73015119       0.50457266      -1.76363664
Zn      -2.76102000       4.96439000      23.55803000       0.08805631      -0.52246098       0.38437019
Zn       3.00848000       1.84643000       4.60093000      -0.47631750      -0.20013010       0.07947121
Zn      -0.39083000       3.44005000      14.25971000       3.01857512       0.57381818      -1.80437355
Zn       2.78241000       5.03482000      13.45518000      -0.19360370       0.49746143      -0.87744262
Zn       2.95273000       1.48590000      22.83866000       0.90348284       0.60489264       0.30768452
Zn       0.12290000       3.52333000       3.79693000      -0.39731845      -0.20781833      -0.59184700
Zn       5.67666000       0.09756000       9.21249000      -0.20087808      -0.31184410       1.11171480
Zn       3.04790000       1.64305000      18.64498000       0.21841962      -0.31390888       0.85340212
Zn       0.02254000       3.69536000      28.24040000       0.78498108      -1.82785880       0.17877185
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.20783024 magmom=72.002264 free_energy=-553.20783024 stress="-0.025536117228805343 7.474049268064317e-05 -0.0012053602174245384 7.474049268064317e-05 -0.035560849852840394 0.009738223812184591 -0.0012053602174245384 0.009738223812184591 -0.036807916302357274" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32278000       0.84932000      15.73634000      -1.76712401       0.67344837       1.68150397
Cr       4.25181000       0.95232000      15.89143000       0.51271219      -2.43993342      -0.76338709
Cr       2.84764000       3.49027000      15.76501000      -1.87114607       0.93113971      -0.04636535
Cr      -1.29028000       2.28880000      25.36115000       0.33322827       0.93764019      -1.04843056
Cr       1.65553000       2.44132000      25.39606000       1.51984710      -1.29801122      -0.75676572
Cr       0.24288000       4.89018000      25.40934000      -0.27469789       1.52411352       0.10855308
Cr       1.15068000       4.29041000       6.25335000       1.97521746       1.55569453      -0.96533948
Cr      -1.70672000       4.25871000       6.22767000       0.76593334      -0.20521014       1.34346761
Cr      -0.05723000       1.75933000       6.25476000      -0.39738561      -0.15688023       0.64720483
Cr       0.09463000       0.07431000      18.20147000      -1.00423132      -1.09511292       1.08330421
Cr       3.16054000       1.82324000      27.95251000       0.39074832      -1.85477450      -4.93477872
Cr      -0.21731000       3.38541000       8.71858000      -0.08315082       0.86228285      -0.98088640
Cr       0.11078000       0.17585000       3.83685000      -0.36668990      -1.56792935       0.37909749
Cr       2.75915000       1.74259000      13.41672000      -1.59660630      -0.68930517      -0.32009955
Cr       0.25180000       3.24968000      22.99186000      -0.76396567       1.97346211       0.24146892
Cr       0.21870000       1.55147000      20.68476000      -0.08124914      -0.11061630      -0.15186460
Cr       1.67263000       4.14537000      20.54872000       0.00823507       0.17465561       1.13022218
Cr      -1.21778000       4.03909000      20.58661000      -1.56544434       2.91673977       0.58839542
Cr       3.15704000       3.45243000       1.47759000      -0.29593467       2.46474169       1.25257244
Cr       1.58428000       1.06407000       1.54312000      -0.67905366      -0.62911114       0.44885570
Cr       4.56981000       0.94273000       1.64515000       0.21627014      -0.35772002      -1.22958299
Cr      -0.26874000       5.09719000      11.16112000       0.28599300       0.21806994       0.12961024
Cr       4.20874000       2.63757000      11.05734000       1.27814108      -2.71082893       1.37843262
Cr       1.35292000       2.64831000      11.17871000      -1.60144028      -0.61443094      -0.74569868
O        1.64434000       0.50964000      19.32655000      -0.68187071       1.31063791       0.25532912
O        4.67367000       0.72961000      19.56944000       0.19465866       0.56387591      -1.38039546
O        3.15766000       3.54768000      19.45977000      -0.22358716      -1.30447768      -1.88513573
O       -1.28561000       2.54842000       0.38120000      -1.67310951       0.09312865       0.92435106
O        1.75540000       2.59697000       0.30263000      -0.33633682       1.18836376       0.86906681
O        3.02323000       0.31362000       0.56122000       0.95262942      -0.97343598      -1.35492286
O        1.17654000       4.12231000       9.85227000      -0.28807756       1.06996973       1.43757681
O       -1.65566000       4.14825000       9.93684000       1.53357138       0.59464987      -0.31669336
O       -0.06658000       1.93243000       9.92604000      -0.81356913      -1.22595424       0.72494946
O        1.20388000       0.99771000      12.28109000       1.77407776      -0.20608833      -0.06284771
O        4.07119000       0.94876000      12.24890000       0.18393498      -0.44442047      -0.09425416
O        2.88819000       3.37047000      12.24666000      -1.52259964      -0.20084045       0.47330830
O       -1.03999000       2.65565000      21.78098000      -1.61357257      -3.21141612       0.60389837
O        1.55628000       2.58458000      21.78026000       1.27013691      -1.88275643      -0.34587035
O        0.26413000       4.78849000      21.68939000      -0.70929133       1.31850361       1.28394357
O        1.76594000       4.36505000       2.62542000      -0.09901639       0.24147043       0.62590529
O       -1.40839000       4.49949000       2.60986000      -0.50002475      -0.41114687       1.18599531
O        0.13651000       1.75186000       2.68549000      -0.13393694       0.29992585       0.81663218
O        1.41045000       0.84981000       5.27822000      -0.52253883       0.35416248      -0.90895774
O        4.51759000       0.84806000       5.11309000       0.87179420      -0.80361656      -0.09757965
O        2.80863000       3.66059000       5.03767000      -0.77827877       0.70671632       0.41697887
O        3.99888000       2.39076000      14.65820000       1.99992887       1.62929169       0.09011873
O        1.36770000       2.44782000      14.74705000      -0.17450524       1.99579916      -1.07316695
O        2.76366000       0.25891000      14.77836000       1.28077697      -2.11474305      -1.68494970
O        1.65489000       3.92059000      24.17481000      -0.65139521       1.35700852       0.93928638
O       -1.12574000       4.24074000      24.25490000       0.33217488      -2.10076215      -0.36826358
O        0.18953000       1.67075000      24.16965000       0.09480698       0.22333134       0.91282651
O       -2.76370000       4.95308000      21.61717000       0.53688833       0.03930334      -0.87837567
O        3.12740000       1.80706000       2.59562000      -0.53836980       0.60170712       0.59336088
O       -0.31055000       3.47935000      12.32825000       0.93557368      -0.13979131      -2.33494283
O        5.63495000       0.00879000       7.26194000       0.55102696       0.24635543       0.06096920
O        2.81236000       1.87033000      16.70782000      -0.75666860      -1.11760950       1.94218500
O        0.20666000       3.11466000      26.46217000      -0.61063151       1.15186476      -0.74925346
O        0.08793000       0.19025000       0.46660000       0.81172620      -1.11684989       0.11455062
O        2.81945000       1.55999000      10.03395000      -0.57741342       1.61687010       0.35960083
O        0.15746000       3.19705000      19.65974000       1.34228436      -0.11653942      -2.83328189
O       -0.18364000       1.57550000      16.87624000       1.34450494       1.09697069       1.02342158
O        1.59200000       4.42392000      17.02499000      -0.83985784      -0.18709096      -0.27059443
O       -1.66983000       4.33224000      16.88670000       0.28162658       0.02946809      -0.67988328
O        3.25966000       3.15785000      26.36789000      -1.18109572       0.47175172       1.54638417
O        1.83597000       0.87969000      26.46744000       0.75959711      -0.90875907       1.05926975
O        4.41536000       0.78691000      26.58645000       0.84667487      -0.35618396       0.20527348
O       -0.32094000       4.93109000       7.44307000       0.57821286       0.38468622      -0.20022684
O       -1.46158000       2.59122000       7.32793000      -1.19826371      -0.06157668       0.36378480
O        1.19353000       2.83241000       7.45459000       0.09188380      -1.95641659      -0.15019316
Zn      -2.64423000       5.02459000      27.10284000      -0.89241516       0.27943378       0.15216200
Zn       2.70363000       1.67057000       8.11221000       0.43081888       0.39068926      -0.45651430
Zn      -0.14610000       3.48902000      17.70105000       1.06041110      -0.46896271       0.17660228
Zn      -2.75988000       4.97094000      23.46236000       0.10501597      -0.31760396       1.13126563
Zn       3.04891000       1.85748000       4.66519000      -1.11164499      -0.36140827      -1.31417221
Zn      -0.36581000       3.43446000      14.23303000       1.35437903       0.26845627      -0.06351274
Zn       2.78993000       5.03836000      13.47734000      -0.10527627       0.69832031      -0.93757976
Zn       2.89536000       1.52563000      22.90938000       0.84283614      -0.25633595      -0.40390819
Zn       0.01773000       3.46743000       3.84178000       0.06361153       0.34770829      -0.92279424
Zn       2.78162000       5.09509000       9.23535000      -0.84465287       0.91920219       0.14898458
Zn       2.97951000       1.68985000      18.59458000       0.70713112       0.28247910       2.06073522
Zn       0.01354000       3.69500000      28.26463000       1.30709972      -0.02943925       0.80006389
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.3202812 magmom=71.9998426 free_energy=-552.3202812 stress="-0.033636498579720134 -0.0030182597893516835 -0.007193557676709298 -0.0030182597893516835 -0.022900200385947363 -0.009543201368376877 -0.007193557676709298 -0.009543201368376877 -0.03234475538915566" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.27817000       0.91006000      15.71831000       0.06775638       0.10416014       0.76495216
Cr       4.24342000       0.88850000      15.78102000       0.09505982       0.76859709       0.52227632
Cr       2.74709000       3.54067000      15.78859000      -0.27855131      -1.27516203      -0.54856868
Cr       4.52944000       2.31668000      25.42020000       0.21800604       0.70950000       0.95544521
Cr       1.69575000       2.49046000      25.35650000      -0.49721134      -0.46390534       1.37031941
Cr       0.15964000       5.02510000      25.41070000       0.60872078      -2.15555863      -0.52964971
Cr       1.23544000       4.29023000       6.25256000       0.41925394       0.08284262       0.59483306
Cr      -1.63330000       4.26168000       6.09689000       1.07252729       0.18358026       3.01624923
Cr      -0.08306000       1.69740000       6.25737000      -0.87876456       1.04063328       1.67609574
Cr      -2.88945000       5.01193000      18.15957000       0.18661261       2.13438830      -0.02004379
Cr       3.14287000       1.71250000      27.84833000      -0.06441053       0.49469541      -0.10732795
Cr      -0.18454000       3.40895000       8.74536000       1.04777984      -0.84639052      -2.51390686
Cr       0.18472000       0.15257000       3.86221000      -2.91642298      -2.16776191       0.16518243
Cr       2.63259000       1.81201000      13.40149000       2.81855300      -0.35758228       1.09312132
Cr       0.27869000       3.22663000      23.04570000      -2.44923492      -0.06623020      -0.84176219
Cr       0.22524000       1.64229000      20.57251000       0.04556081      -3.30791208      -0.26859132
Cr       1.55022000       4.20816000      20.62161000       2.18817321      -0.47647380      -1.00283767
Cr      -1.25565000       4.05230000      20.61709000      -1.29501928      -0.38631927      -1.82060043
Cr       3.25834000       3.40857000       1.52078000      -2.69048811       3.91620664       0.90985157
Cr       1.54796000       1.12973000       1.47379000       1.96702781      -0.53981805       3.17648198
Cr       4.65443000       0.90916000       1.70954000      -1.26683546      -0.95878891      -1.30339346
Cr       2.77047000       0.01110000      11.11652000       0.19506922      -0.07127750       0.96158370
Cr       4.29765000       2.53316000      10.99372000      -1.05897330       0.17834001       2.19907827
Cr       1.30365000       2.61132000      11.16422000      -0.55267585      -2.56562150       0.06621030
O        1.54143000       0.59279000      19.41959000       0.09499948       0.18548878      -0.27349354
O        4.73401000       0.62984000      19.41318000      -1.25785284       1.41233329       1.02369494
O        3.12460000       3.53911000      19.26641000      -0.07410177      -1.61586808       2.16987256
O       -1.45451000       2.52558000       0.38480000       1.66948777      -0.29662695      -0.50306072
O        1.68257000       2.72139000       0.43085000       1.15180481      -0.42097827      -1.13086122
O        3.06334000       0.23893000       0.53614000       0.28775685       0.96154501      -0.11977996
O        1.22434000       4.07541000      10.05223000      -0.55861636       2.35541901      -1.76735639
O       -1.40731000       4.25406000       9.79816000      -1.95461156       0.07540210       2.15553403
O       -0.17903000       1.77914000       9.95651000       0.39050180       0.25651650      -0.74135689
O        1.38418000       0.93011000      12.38582000      -1.25747627      -1.01881001      -1.70129145
O        4.12151000       0.96960000      12.23086000      -0.27395612      -0.30917051       0.41521926
O        2.75862000       3.27158000      12.20953000       0.65205868       1.85293052       0.31827458
O       -1.10775000       2.37584000      21.77742000      -0.22952075       0.62328947       0.54294343
O        1.62903000       2.42189000      21.75658000      -0.60726634       0.98388299       0.23328805
O        0.04626000       4.74931000      21.80833000       1.48628190       0.92147562       0.76423171
O        1.78992000       4.23828000       2.84367000      -0.10213881       1.43715891      -1.44220540
O       -1.50973000       4.52480000       2.59196000       1.84473562       0.06444389       1.13948755
O        0.05023000       1.79129000       2.89617000       0.91953619      -0.65209563      -1.94130248
O        1.28943000       0.94381000       5.15587000       1.99206196      -0.05789019       0.59968582
O        4.53956000       0.75421000       5.12588000      -0.33285640       0.41328016      -0.42534459
O        2.78139000       3.64666000       5.16984000      -0.56780682      -0.40010563      -1.10412436
O        4.02160000       2.55586000      14.62974000       0.14806661      -0.38573641       0.58488785
O        1.34560000       2.73519000      14.72654000       0.77994444      -1.98201214       0.02359610
O        2.77571000       0.19068000      14.55768000      -0.08811622       1.00181493       1.52688030
O        1.53299000       4.12830000      24.26736000       0.19284007      -0.09481081      -0.25596006
O       -1.25327000       3.90489000      24.39760000       0.37965535       1.91708125      -1.93032890
O        0.10830000       1.75270000      24.32635000       1.40215910      -1.92172540      -0.80061380
O       -2.69446000       4.84652000      21.53000000      -1.34782216       1.45433936       1.18542682
O        3.27833000       1.88722000       2.56634000      -1.69711406      -1.39409473       1.77834089
O       -0.17794000       3.30375000      12.12603000      -0.76729226       1.55873463       0.51080326
O        2.72155000       5.07870000       7.28697000       0.54600277       0.38012052      -0.05034206
O        2.70948000       1.80289000      16.80145000       0.53714695      -0.65596053      -1.32452428
O        0.10770000       3.16783000      26.40808000       0.57750267       0.92466916       0.25202878
O        0.27044000       0.22637000       0.53735000      -1.86797053      -1.45945475      -1.26025614
O        2.72027000       1.75611000      10.13398000       0.61253818      -0.82817429      -1.77183170
O        0.25416000       3.21746000      19.49112000      -0.58947876       1.01835373       0.84798900
O       -0.04902000       1.60959000      17.00044000      -0.91367635      -0.98488870      -1.05823975
O        1.46325000       4.38769000      17.04672000       1.56670674       1.57401375      -1.60170069
O       -1.72773000       4.21538000      16.80161000       1.49895126       1.53956913       0.07085340
O        3.08556000       3.28261000      26.53065000       0.43110550      -1.62685006      -0.41741496
O        2.00424000       0.82493000      26.56860000      -3.07409681       0.90007316      -0.10531652
O        4.42417000       0.67915000      26.68001000       0.38219177       1.00467323      -0.88591848
O       -0.35644000       4.92782000       7.40015000       1.80961611       0.82408647       0.01000545
O       -1.52653000       2.65052000       7.25000000      -0.07125250      -0.49959524       0.81811178
O        1.16609000       2.72664000       7.53624000      -0.05943687      -0.48278793      -1.52990071
Zn      -2.63275000       5.08447000      27.18506000      -0.43924394       0.38945691       0.33631512
Zn       2.73558000       1.75609000       8.08698000       0.48339776      -0.45426103       0.13382457
Zn      -0.01625000       3.50727000      17.60454000      -1.67831096      -1.20731420      -0.01465180
Zn      -2.75088000       4.95683000      23.42742000       0.26473999       0.09547290       1.08400568
Zn       3.03462000       1.84916000       4.66904000      -0.31991248      -0.52650461      -1.05258394
Zn      -0.26040000       3.45380000      14.18068000      -0.82372966      -0.07247675      -1.52704834
Zn       2.79056000       5.07884000      13.45752000      -0.27337976       0.33997239      -1.31860315
Zn       2.88904000       1.55488000      22.97265000       1.11148889      -0.33975130      -0.46179885
Zn      -0.08525000       3.43762000       3.85865000       0.48119492       1.19218009      -0.16984681
Zn       2.79201000       5.02513000       9.27088000      -0.21044703       0.33917204       0.06218015
Zn       2.95122000       1.74385000      18.65612000       0.44530463      -0.93828303       1.45993874
Zn       0.07125000       3.67314000      28.33028000       0.31619251      -1.34486443       0.12463948
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.90818084 magmom=72.0025823 free_energy=-551.90818085 stress="-0.03542637761850432 -0.0029554784338543263 0.001728671854303468 -0.0029554784338543263 -0.024664848417441095 -0.004179777156313877 0.001728671854303468 -0.004179777156313877 -0.0346516600412498" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.21045000       0.95644000      15.78609000       2.12730653      -1.27700441      -2.87624066
Cr       4.25445000       0.87071000      15.70131000       0.14194244       3.63283301      -1.37348348
Cr       2.66756000       3.54938000      15.82659000       3.93288722      -2.13068994      -2.34697180
Cr       4.46240000       2.39457000      25.55608000       2.59840119       0.52299354      -2.51321849
Cr       1.71560000       2.50546000      25.40491000      -2.95228533      -0.03208648      -0.78050799
Cr       0.09501000       5.07447000      25.40619000      -0.58265625      -0.76147986      -0.43594280
Cr       1.35519000       4.30245000       6.28822000       0.17903530      -0.85685035      -0.66063907
Cr      -1.48596000       4.27406000       6.15817000      -1.16799961       0.82277206       0.53280220
Cr      -0.16147000       1.68999000       6.34150000       0.07898125      -0.65196978      -2.55379594
Cr       2.97851000       4.94098000      18.11563000       0.29988945       2.52785769       1.05095272
Cr       3.11412000       1.64449000      27.74905000       0.49564048       1.04562488       3.51536267
Cr      -0.11359000       3.41369000       8.64217000      -1.01280095       0.67377330       1.09770327
Cr       0.11017000       0.02037000       3.90766000       0.42891967       1.65022247       1.55765662
Cr       2.65262000       1.84742000      13.42049000       2.33615214      -0.67881927      -0.74862185
Cr       0.15858000       3.20374000      23.05091000      -0.27474367      -1.54412418      -0.11581952
Cr       0.20955000       1.55955000      20.45291000      -1.78914253       1.97578666       2.96268609
Cr       1.55315000       4.25421000      20.63874000      -0.32512593      -0.93029168       0.45485811
Cr      -1.38217000       4.08710000      20.57390000       1.51641481      -0.52782269       1.22256437
Cr       3.21819000       3.54133000       1.59266000       0.41292297      -1.37177177       0.63960081
Cr       1.62814000       1.14424000       1.52142000       0.46958455      -1.58718521       2.25086955
Cr       4.64453000       0.83771000       1.66944000      -1.50818924       2.32924557      -0.93532387
Cr       2.86467000       0.04027000      11.12597000      -1.30352464      -0.42516972      -1.24381153
Cr       4.32194000       2.42562000      11.06564000      -1.92200566       3.20201638      -0.76002420
Cr       1.24463000       2.45089000      11.12731000       0.73815223       1.29409428      -1.80524853
O        1.44256000       0.65859000      19.41684000       0.95041263      -1.67168375      -1.69660570
O        4.61285000       0.75157000      19.39950000       0.39179813      -0.78220136      -0.41678909
O        3.07953000       3.43352000      19.39846000      -0.35681375       1.67644913       0.07231239
O       -1.38311000       2.48035000       0.40131000      -0.08055611       0.40710212      -0.25513565
O        1.83434000       2.76020000       0.43235000      -0.18727343      -1.16476243      -0.78851558
O        3.16634000       0.30273000       0.49460000      -0.98413380      -1.14841162      -0.26391577
O        1.14521000       4.31785000       9.98698000       0.90402123      -2.21551340      -1.44507709
O       -1.36874000       4.25266000       9.98864000      -1.40630205      -1.00506432      -1.59080753
O       -0.24565000       1.73973000       9.88406000       1.11574962       0.83144463      -0.32707721
O        1.47330000       0.78216000      12.20133000      -1.69389937       1.46607078       1.36124832
O        4.07588000       0.98024000      12.26598000       1.15380211      -0.15941648       1.40477348
O        2.66133000       3.36801000      12.20521000       0.43851380      -0.20842737       0.24711946
O       -1.16890000       2.17268000      21.85477000      -0.01392860       2.18600812      -0.68759154
O        1.52917000       2.43408000      21.74076000       0.08878643       0.86526686      -0.13153387
O        0.06999000       4.80648000      21.98583000      -0.21560210       0.06591324      -2.06567815
O        1.82922000       4.41899000       2.75563000      -1.40825241      -1.87395337      -1.06652553
O       -1.37920000       4.53962000       2.77842000       0.12928179      -0.55917912      -1.02363961
O        0.13839000       1.61639000       2.76206000       0.30813139       1.26965184      -0.01297331
O        1.37371000       0.94822000       5.15165000      -0.81353148      -1.18673812       1.12611702
O        4.57675000       0.70197000       5.11516000      -1.13823299       1.19117460      -0.10696971
O        2.70179000       3.62472000       5.13955000       2.30637816      -0.66356123      -0.03141073
O        4.07239000       2.64882000      14.71507000      -0.02590926      -0.54569904      -0.73197242
O        1.45272000       2.65142000      14.67900000      -2.24314627      -0.12253610       0.35300613
O        2.80906000       0.29535000      14.58061000      -0.80097733      -1.24953255       0.15756595
O        1.40228000       4.24876000      24.32925000       1.57702434      -1.46346106      -1.32724163
O       -1.25708000       3.84340000      24.20757000      -0.63749391       1.39469675       0.67779875
O        0.24239000       1.58521000      24.38640000      -0.35342608       0.92957214      -0.38451813
O       -2.81849000       4.99181000      21.52279000       0.51524239      -0.16061993       0.64105633
O        3.13636000       1.80855000       2.72324000       0.24151053       0.32619603      -2.10092836
O       -0.18575000       3.41262000      11.93802000       0.19111440      -0.69140242       3.57056577
O        2.87148000       5.10390000       7.25755000       0.24030526      -0.51493885       1.14749144
O        2.71816000       1.63254000      16.66079000       0.87467192       1.78340852       2.67641121
O        0.09518000       3.38867000      26.33570000       0.21078068      -0.67695740       1.58104898
O        0.21675000       0.05117000       0.55374000       0.26281358       0.98305827      -0.11113430
O        2.73332000       1.83935000       9.98860000       0.41525252      -0.95048864       0.52257799
O        0.26231000       3.38937000      19.47090000      -1.44126934      -0.63174679       0.19349766
O       -0.09974000       1.51632000      16.93174000      -1.24168843       1.05554597       1.16609765
O        1.52010000       4.58316000      16.81971000      -1.33846729      -2.64260029       3.00803713
O       -1.54891000       4.35426000      16.67672000      -1.47435428      -0.37451347       1.71077133
O        2.99630000       3.15067000      26.60958000       1.46420604       1.89097443      -0.53085098
O        1.73595000       0.87901000      26.59958000       1.36378041       0.68408324      -1.26213786
O        4.44297000       0.74843000      26.58874000      -0.50735598       0.17979359       0.01624082
O       -0.06460000       5.00097000       7.33343000      -0.82296349       0.04011131       1.07709070
O        4.34257000       2.66484000       7.30187000       0.75723125       0.27840090       0.60284411
O        1.09761000       2.56096000       7.33727000       1.92931809       1.67471521       1.67824057
Zn       0.29310000       0.04758000      27.27535000      -2.10696573      -1.33501640       0.11004548
Zn       2.79147000       1.82092000       8.06563000      -0.34465565      -0.74009215      -0.17125673
Zn       0.04945000       3.46835000      17.50419000      -0.80077216      -0.36705940       0.27650749
Zn      -2.73018000       4.94989000      23.46174000      -0.45145288       0.16869062       0.91325877
Zn       2.99677000       1.81292000       4.61327000       0.15494933      -0.50791788       0.04083559
Zn      -0.18273000       3.47601000      14.06519000      -0.69189895       0.48546976      -1.00983716
Zn       5.72793000       0.02904000      13.38489000      -0.12660918      -0.19398200      -1.05511963
Zn       2.94122000       1.56836000      23.02429000       0.66805492      -0.06445094      -0.83195538
Zn      -0.16665000       3.46261000       3.87211000       0.88548843      -0.41066843      -0.17898777
Zn       2.78711000       4.97848000       9.30572000       1.01293961       0.03262658      -0.17701881
Zn       2.94813000       1.72577000      18.79402000       0.33396271      -1.97812440      -0.82691150
Zn       0.15099000       3.58759000      28.40477000      -0.09534580      -0.50765841       0.14214951
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.70176129 magmom=72.0011387 free_energy=-551.70462176 stress="-0.034189769148327845 0.0010423555482703996 -0.005911619048136345 0.0010423555482703996 -0.04043381797548198 0.013877363470013756 -0.005911619048136345 0.013877363470013756 -0.042346144269739185" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.23533000       0.92636000      15.78206000       0.79538516       0.17657287       0.10042730
Cr       4.27747000       1.00443000      15.60594000      -0.04163393      -2.18109250       3.00155436
Cr       2.80691000       3.48481000      15.82767000      -0.90014958       0.04667395      -0.35587364
Cr      -1.39586000       2.49193000      25.62524000       2.20192168       0.98622802      -3.94914915
Cr       1.59845000       2.52825000      25.44308000       0.38357223       2.55912684      -1.54917876
Cr       0.03176000       5.07583000      25.38649000       0.54335285      -0.25262941      -1.85272377
Cr       1.48682000       4.26613000       6.29333000       0.20050081      -0.21765590      -0.77796273
Cr      -1.38226000       4.31893000       6.28882000      -0.37544478      -1.16339792       0.46325124
Cr      -0.20979000       1.67671000       6.32508000       2.64076868       0.60797597      -0.07109208
Cr       2.96242000       4.99680000      18.09613000      -2.09516811       1.13782200       1.72392236
Cr       3.13374000       1.66112000      27.75824000      -0.24138068       1.14228006       0.48738473
Cr      -0.08797000       3.44849000       8.59270000      -1.11960431      -0.20270068       0.94867159
Cr      -2.93020000       5.07733000       3.99374000       0.81573130       2.07243490      -2.72801685
Cr       2.80339000       1.84738000      13.43522000      -3.00058116      -0.45951585       0.11735056
Cr       0.01006000       3.11740000      23.02142000       2.66685418       1.86068231      -0.33053730
Cr       0.10494000       1.55370000      20.46472000       0.21374935       2.47851159       1.05307248
Cr       1.54137000       4.25234000      20.65587000      -1.74147937      -0.26314069       0.17307272
Cr      -1.42527000       4.10773000      20.58399000       0.62603983       0.71009204       1.74722872
Cr       3.17804000       3.60055000       1.67075000       1.13019738      -2.80794860      -2.30952868
Cr       1.75081000       1.05893000       1.64597000      -3.10580530      -2.48598284      -2.54497640
Cr       4.54941000       0.90048000       1.55667000       1.86405001       0.66735923       0.08771612
Cr       2.88457000       0.02044000      11.09229000      -1.40321174      -1.34920879      -0.13292793
Cr       4.24538000       2.49362000      11.12290000       0.45958727       2.21381902      -0.49381895
Cr       1.24298000       2.35665000      10.99270000       0.72563681       3.76550232       0.38076951
O        1.42596000       0.48498000      19.20038000       0.06061014       1.63068569       1.52317751
O        4.57972000       0.74759000      19.38603000       0.60993501      -0.50086844       0.05482964
O        2.95416000       3.59762000      19.53917000       0.06754681      -2.26194065      -2.28425043
O       -1.33506000       2.47639000       0.40141000      -0.70441101       0.37606626       0.00346150
O        1.98940000       2.57393000       0.36725000      -1.73320219       0.73943430       0.86796325
O        3.11549000       0.21961000       0.44440000      -0.18431173      -0.61554648      -0.26738103
O        1.12353000       4.20944000       9.72087000       1.44018742       0.30310995       2.83419528
O       -1.54143000       4.07557000       9.97271000       1.58503436       0.65313225      -0.37137314
O       -0.13835000       1.89577000       9.78247000      -0.96324019      -1.70777192       0.44308148
O        1.34578000       0.89024000      12.12201000       1.03073982      -0.66042096       0.97380976
O        4.14706000       0.99666000      12.39700000       0.21327962      -0.70986207      -1.84324813
O        2.65368000       3.37187000      12.20810000       0.60774796      -0.81116743      -0.72406544
O       -1.20459000       2.42082000      21.80420000      -1.98131429      -0.41266834      -1.22392204
O        1.36939000       2.61790000      21.69296000       1.24645100      -1.83551983       0.41464389
O        0.08344000       4.78743000      21.81695000      -1.13584545       0.95841043       0.49303059
O        1.72050000       4.37289000       2.55294000      -0.52151603      -0.19441635       2.67318180
O       -1.30651000       4.50105000       2.80042000      -1.59381331      -0.03380072       0.18153803
O        0.24020000       1.57598000       2.62880000      -1.87022277       1.05738368       2.55969043
O        1.32251000       0.75138000       5.34334000       0.00931983       2.35962032      -2.19650190
O        4.47301000       0.80536000       5.11463000       0.70328381      -1.19283489       0.32593548
O        3.01727000       3.55422000       5.15055000      -0.46377032      -0.13017220       0.80920426
O        4.06824000       2.61706000      14.64319000       0.97250476       0.97136434      -0.69987149
O        1.30858000       2.47842000      14.67508000       0.89146632       1.49856919      -0.19048881
O        2.72170000       0.28407000      14.65581000       0.22081545      -0.67942594      -0.81432415
O        1.44936000       4.08000000      24.21622000      -0.40883899       0.43905875       0.43342574
O       -1.25483000       4.04670000      24.13237000       0.56840184      -0.70620242       2.65599209
O        0.31532000       1.63181000      24.36606000      -2.02398883       0.60589997      -0.31861047
O        0.05489000       0.01953000      21.60102000       0.75070360      -0.99820366       0.38678367
O        3.08156000       1.79125000       2.57129000       2.52232585       1.56621034       2.55173320
O       -0.23668000       3.47715000      12.20082000       0.36591637      -0.87342387      -5.10084261
O       -2.85879000       5.07556000       7.34325000      -1.23152285       0.22652242       0.16379978
O        2.84940000       1.74934000      16.83689000      -0.66814571       0.57060042      -0.51282053
O        0.11948000       3.49657000      26.50759000      -0.20887299      -1.07114711      -0.11554051
O        0.16804000       0.04534000       0.60748000       0.66590772       1.12990163      -0.28927433
O        2.83866000       1.71595000       9.96555000      -0.41234965      -0.61705385       0.69738265
O        0.02351000       3.42850000      19.57966000       0.94695886      -1.46540476      -1.78079205
O       -0.31777000       1.55768000      16.92148000       1.76549314       0.27701012      -0.42086651
O        1.43096000       4.48395000      16.89290000       1.55363266      -0.04848154      -1.21655980
O       -1.62660000       4.43644000      16.80707000      -0.46179840      -1.70201773      -0.24571607
O        3.12417000       3.33215000      26.56475000      -0.80868005      -0.42445334       0.56674322
O        1.61035000       1.01831000      26.45129000       1.49946651      -2.26890077       2.50240326
O        4.37708000       0.82708000      26.48105000       0.23757919      -0.53264968       1.12177258
O        0.10831000       5.02939000       7.38911000      -0.96268976       0.48965893       0.04863455
O       -1.40413000       2.73172000       7.41198000      -1.08219924      -1.04343037      -0.45944161
O        1.24656000       2.67047000       7.32331000      -0.15925991      -0.51931367       0.43369460
Zn       0.17210000       0.06164000      27.35745000      -0.34976457      -0.35049715      -1.28739518
Zn       2.83925000       1.84947000       8.03534000       0.31964448      -0.62255879      -0.08692157
Zn       0.06056000       3.39954000      17.42190000      -1.51490298      -0.40334675       1.58223089
Zn      -2.74282000       4.95621000      23.53959000      -1.62245854       0.47325356      -0.16628098
Zn       2.95395000       1.74356000       4.54200000      -1.35792238      -0.29573546      -0.54281819
Zn      -0.14086000       3.52126000      13.91722000       0.01773768       0.41996558       3.98204262
Zn       5.70871000       0.08366000      13.27651000       0.36974994      -0.47216211       0.32843407
Zn       3.03383000       1.57516000      23.03963000       0.08455887      -0.18973211      -1.19851660
Zn      -0.19775000       3.46935000       3.89317000       1.58987145      -0.99858819      -0.06094324
Zn       2.82925000       4.94036000       9.33422000      -0.10854849       1.10813026      -0.21688485
Zn       2.96134000       1.61255000      18.90241000      -0.00146387       0.70448414      -0.25673553
Zn       0.23228000       3.46207000      28.47907000       0.37529545      -0.25056094       0.09093593
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.17660293 magmom=72.0027317 free_energy=-552.17660331 stress="-0.03816400405310421 -0.0009556389914337214 -0.002870167315076578 -0.0009556389914337214 -0.04481991753452504 0.009697920771207898 -0.002870167315076578 0.009697920771207898 -0.03634025024090528" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29144000       0.88887000      15.80029000       0.27835514       0.21366928      -0.06062442
Cr       4.30585000       1.04006000      15.66752000      -0.92937518      -2.31660559       0.39518241
Cr       2.91632000       3.44988000      15.84247000      -2.40321496       0.50533339      -2.78852980
Cr      -1.29594000       2.60452000      25.56229000      -1.32964382      -2.15001425      -0.68109546
Cr       1.51578000       2.62302000      25.44588000       1.92095249      -1.80088589       0.49433124
Cr       0.02441000       5.09791000      25.32929000       2.68984628       1.31580638       1.33805957
Cr       1.60694000       4.21204000       6.26103000      -0.83020298       0.32000273       0.71363446
Cr      -1.31808000       4.32774000       6.42096000      -1.79727400       0.48886039      -2.31326791
Cr      -0.11843000       1.70518000       6.28992000       1.61289883       0.46120354       0.79700064
Cr       2.86039000       5.11051000      18.11136000       0.49007215      -1.81640730       0.66989120
Cr       3.16430000       1.74826000      27.75534000      -1.44888105      -0.61539237      -0.07378776
Cr      -0.10405000       3.46701000       8.63129000       1.84242813      -1.36566263       0.96626410
Cr       5.87939000       0.03140000       3.94938000       0.26072724      -0.21417929       0.23910958
Cr       2.80950000       1.80917000      13.42515000      -1.92501903      -1.18645741      -0.80864227
Cr      -0.00859000       3.13780000      22.95148000       0.40922552       2.94016788      -0.63041000
Cr       0.00320000       1.66505000      20.53365000       0.91377231      -1.36758082       0.06059125
Cr       1.45396000       4.21513000      20.66297000       1.21203361      -0.99356633      -1.60587182
Cr      -1.43313000       4.17344000      20.64032000      -2.39189570       1.15991372      -3.57985563
Cr       3.16957000       3.51610000       1.63117000      -1.68505231       0.56610166      -0.90749528
Cr       1.72676000       0.87828000       1.67195000      -0.60637977       1.75434265       0.02827829
Cr       4.55072000       1.00797000       1.45040000       1.29607776      -2.19871336       3.17801497
Cr      -0.12546000       5.03720000      11.04674000       0.41830387       1.50533911       0.64423640
Cr       4.18952000       2.66388000      11.12215000       1.05692767      -4.19941150      -1.99428854
Cr       1.28555000       2.45238000      10.88631000       0.81777144      -0.83871909       2.19906219
O        1.38729000       0.54821000      19.28519000      -0.66792777       1.01912772       1.21130683
O        4.64095000       0.65003000      19.45054000      -1.66849669       0.92331969       0.46239253
O        2.82237000       3.45661000      19.34985000       0.50816228       0.78671521       1.04133494
O       -1.43713000       2.55831000       0.37639000       0.42561655       0.79689284      -0.33932547
O        1.87924000       2.47257000       0.45157000       0.54574979       0.09315457       0.33296347
O        3.02597000       0.08977000       0.35973000       0.95822277       1.47758845       0.65916371
O        1.25516000       4.07869000       9.90771000      -0.04513345       1.37764738      -0.74036641
O       -1.43862000       4.03657000       9.85167000      -0.79789116       2.16040251      -0.12028047
O       -0.16431000       1.83506000       9.79116000      -0.40734132      -0.71237802      -0.36102130
O        1.40841000       0.98025000      12.20521000       0.10972399      -1.32672979      -0.04414845
O        4.16322000       0.93982000      12.23534000      -0.31504012      -0.20863439      -0.00129142
O        2.75490000       3.20783000      12.12957000      -1.21021455       2.29435387       0.85222552
O       -1.44368000       2.63091000      21.63696000       0.39223273      -2.86955810       2.44075487
O        1.36021000       2.55258000      21.70872000      -0.05888105      -0.51371127       0.57011838
O       -0.05290000       4.87371000      21.70632000       1.04083860       0.58803526       2.05187402
O        1.64393000       4.27058000       2.74531000       0.20181152       0.73749650      -0.72973738
O       -1.55768000       4.46959000       2.79233000       1.67093674      -0.63156164       0.66370309
O        0.07033000       1.66047000       2.85193000       0.25041827      -0.02838579      -1.13681334
O        1.26849000       0.84103000       5.21744000       1.20684362       0.07634235      -0.06361334
O        4.52369000       0.70688000       5.18545000      -0.53105124       0.71215717      -0.44831480
O        3.23392000       3.52993000       5.27026000      -1.78296372      -0.33864885      -1.18974695
O        4.16489000       2.65473000      14.51142000       0.33961203      -0.43683167       0.88417780
O        1.34859000       2.51970000      14.69738000       0.97605456       0.35094878      -0.25512778
O        2.67210000       0.20151000      14.62980000       1.33442945       0.88940731       0.37612392
O        1.40942000       3.98227000      24.15013000      -0.00766522       1.76385005      -0.10904698
O       -1.18113000       4.08478000      24.44441000      -2.56924855       0.36612876      -3.24486542
O        0.05846000       1.84564000      24.32145000       0.28396235      -2.27579540       0.69570453
O       -2.86612000       5.08655000      21.65955000      -0.81172277      -0.05350108       0.42564738
O        3.31572000       1.92450000       2.62810000      -1.59367337      -1.68025212       0.05006136
O       -0.15826000       3.35641000      11.84826000       0.90305865      -0.05932565       3.76307723
O       -2.89216000       5.07682000       7.39448000      -0.16457729       0.49261599      -0.73914575
O        2.86650000       1.95048000      16.91586000      -0.14788413      -2.90632903      -0.36743237
O        0.11309000       3.39819000      26.54820000       0.69044335       0.52254200       0.12950494
O        0.22495000       0.22636000       0.65014000      -0.36201367      -1.21895443      -0.85089338
O        2.85666000       1.54500000      10.10815000      -0.27523485       1.78134997      -2.61167751
O       -0.09166000       3.23837000      19.47669000       0.86292621       1.29523330      -0.04725918
O       -0.24733000       1.58792000      16.84741000       1.34330293      -0.85939794       0.49817352
O        1.55090000       4.36206000      16.82457000      -1.09585377       1.19440175       0.19698218
O       -1.74221000       4.24061000      16.91504000       1.93788428       2.00886259       0.20311051
O        3.14588000       3.43903000      26.52788000      -1.08046904      -1.67158461       0.35004242
O        1.80425000       0.91523000      26.57202000      -1.00825434       0.87858268      -0.20775891
O        4.37666000       0.82367000      26.49665000       0.44228231       0.95339967       0.04784780
O        0.08671000       5.05965000       7.44000000       0.75770472       0.03433276       0.03597320
O       -1.35676000       2.66167000       7.41052000      -0.38504874      -0.02911987      -0.11405809
O        1.34413000       2.75531000       7.42434000      -0.91802896      -1.37916024      -0.18944508
Zn       0.02505000       0.05133000      27.38389000       0.95947603       0.23072535      -0.92518806
Zn       2.89744000       1.83976000       8.00504000       0.20353654      -0.83821247       1.24143446
Zn       0.00291000       3.32918000      17.41309000      -0.10327214       1.51817898       1.04955715
Zn      -2.82622000       4.98163000      23.61871000      -0.11872196       0.14265875      -0.01733786
Zn       2.85872000       1.66134000       4.46647000       0.42138034       0.46485363       1.01225377
Zn      -0.10445000       3.58164000      13.89641000       0.33749221      -0.80806763      -0.42121846
Zn       5.70823000       0.11377000      13.18482000       0.37738391      -0.07384188       0.14745247
Zn       3.12632000       1.57369000      23.00535000      -0.53424611       0.03165462      -1.09784190
Zn      -0.14799000       3.42683000       3.92510000       0.76783629      -0.18722100      -0.25974302
Zn       2.87367000       4.95961000       9.34882000      -0.52080438       1.35439843       0.11056181
Zn       2.97691000       1.53584000      18.97907000       0.01836469       1.03233861      -0.74603642
Zn       0.32353000       3.32603000      28.56037000      -0.95848095       0.59036050      -0.40457573
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.10461254 magmom=72.0039298 free_energy=-553.10461254 stress="-0.049885934192505726 0.007889714252407596 0.0035538263610143924 0.007889714252407596 -0.024049555354740078 -0.00590028932969935 0.0035538263610143924 -0.00590028932969935 -0.03199186737252882" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36291000       0.84598000      15.84046000       1.92047601       0.21781204      -2.40352199
Cr       4.30724000       0.93583000      15.78091000       0.90226867       0.79658281      -2.01471699
Cr       2.90461000       3.47179000      15.77700000       0.57832579      -0.19148931      -0.84935824
Cr      -1.31605000       2.59881000      25.51118000      -1.09785845       0.67161135      -1.40174346
Cr       1.56715000       2.62101000      25.47487000      -0.54681502      -2.28612798      -2.21695070
Cr       3.08046000       0.08041000      25.33887000      -1.27415210      -0.81928882       0.02694953
Cr       1.65172000       4.17908000       6.27060000      -2.35675636       0.68847688       0.67548787
Cr      -1.35569000       4.34114000       6.41088000      -0.78371038      -0.13473006      -2.09192949
Cr       0.05448000       1.76389000       6.29171000      -1.92566797      -0.44453060      -0.57934958
Cr       5.74294000       0.01369000      18.14626000       1.23219689      -0.90533250       0.88947446
Cr       3.15357000       1.79828000      27.73909000      -1.05287567      -1.60841160       2.28822386
Cr      -0.03123000       3.40364000       8.70538000       0.21800073       0.14016618      -0.88512378
Cr      -0.03810000       0.09299000       3.90617000       0.69908193      -1.54747098       2.08158037
Cr       2.71389000       1.72731000      13.36986000       2.65503733       1.26479071       0.27589348
Cr       0.01059000       3.31346000      22.88807000      -1.88350038      -0.17757489       2.38244385
Cr      -0.04973000       1.69897000      20.59870000      -1.56131664      -1.34433924       1.62732028
Cr       1.43006000       4.12578000      20.59608000       0.12014378      -0.06206876       0.86869730
Cr      -1.55830000       4.27838000      20.55814000       0.25348258      -1.93564081       1.10870698
Cr       3.08121000       3.44966000       1.55408000       0.24126767       1.55577901       2.89467019
Cr       1.66337000       0.78554000       1.67713000       1.20531085       1.25203055       0.81779422
Cr       4.60776000       1.00818000       1.48514000      -0.73181567      -0.54277502       2.11982113
Cr      -0.15513000       5.03608000      11.03850000       1.25490148       1.02075115       0.09256417
Cr       4.20070000       2.62228000      11.01825000       1.23495778      -1.62789464      -0.54966694
Cr       1.37807000       2.50250000      10.91116000      -0.74214147      -1.02143197       1.63798716
O        1.22732000       0.79934000      19.58970000       1.14213419      -0.72698986      -2.62093961
O        4.48018000       0.66368000      19.56915000       0.84946826      -0.13575156      -1.08641094
O        2.80568000       3.48891000      19.31937000       0.78885872       0.41967262       0.50511921
O       -1.46347000       2.74281000       0.34543000       0.43012799      -1.25899296      -0.05781133
O        1.85853000       2.39160000       0.60152000      -0.54362160       0.25144421      -1.90923576
O        3.11597000       0.24766000       0.43383000       0.65993457      -1.09414989      -0.39692941
O        1.33944000       4.19527000      10.04044000      -1.13864359      -0.49553968      -1.59558835
O       -1.37900000       4.29036000       9.78869000      -0.47412710      -1.79563692       0.60697939
O       -0.24441000       1.74644000       9.81159000       0.55712042       2.07348787       0.82323468
O        1.51684000       0.83659000      12.23394000      -1.80236136      -0.17036438      -1.10034215
O        4.07665000       0.89041000      12.04859000       1.03660613       0.96598398       1.70471668
O        2.74004000       3.31829000      12.15221000       0.25448584      -0.16679612      -0.15390232
O        4.37327000       2.47520000      21.75071000       1.53732821       1.49998244      -0.60869008
O        1.28781000       2.44135000      21.78442000       0.61426024       0.97530778      -0.50624445
O       -0.06584000       4.94482000      21.83631000       0.16860807      -0.73693083      -1.30174753
O        1.66782000       4.33596000       2.80839000      -0.81354574      -0.22661086      -2.04964699
O       -1.58864000       4.36139000       2.84250000       1.18280722       0.00916311      -0.73833392
O       -0.06891000       1.67769000       2.87227000       1.63239166       0.42185422      -1.61502105
O        1.31055000       0.93054000       5.11385000      -0.36762310      -1.72028520       1.31027861
O        4.57721000       0.70214000       5.21803000      -0.70101926       1.06594036      -0.34473235
O        3.10622000       3.51232000       5.22981000       0.25270915       0.04912629      -0.68763260
O        4.25000000       2.57246000      14.57232000      -0.21569979      -0.04542420       0.28873647
O        1.59047000       2.58922000      14.68153000      -1.96184199      -0.13818937      -0.11201601
O        2.85406000       0.29985000      14.67037000      -0.20195397      -1.64666114      -0.48187294
O        1.30495000       4.14289000      24.13487000       0.41006194      -0.31573330       0.81017736
O       -1.38875000       4.18139000      24.31852000       2.06525557      -0.31620416       0.36244430
O       -0.11886000       1.76511000      24.30517000       1.79538540       0.59426928      -0.46344076
O        2.92061000       4.99137000      21.67108000      -0.50177497       0.30634203      -0.26143017
O        3.26905000       1.80674000       2.61870000      -1.62139173      -0.44781583      -0.65462135
O       -0.04299000       3.25183000      11.98555000      -1.34747362       0.93290775       0.47767868
O        0.00199000       0.04284000       7.29837000       1.01205015      -0.19807320       1.02310441
O        2.84961000       1.71050000      16.79453000       0.13330354       0.51875731       1.59412138
O        0.18829000       3.36441000      26.50529000      -0.52713643       1.02018025       0.72312397
O        0.20209000       0.17788000       0.59906000      -0.41911335      -1.19485777      -0.66089376
O        2.80766000       1.65576000       9.90142000       0.23042880       0.27125239       1.18171854
O       -0.02529000       3.25545000      19.42317000      -0.45194257       1.32017471       0.99118466
O       -0.01572000       1.48968000      16.84235000      -1.82198891       1.32744068       1.76502542
O        1.53240000       4.45906000      16.76035000      -0.47413167      -1.53410109       1.87764102
O       -1.59133000       4.33334000      16.93042000      -1.36676302       0.42984466       0.20430541
O        2.97647000       3.26725000      26.52953000       0.97604547       1.86985499       0.50838007
O        1.83945000       0.90095000      26.64116000      -1.30120199       0.55854433      -0.88687100
O        4.43295000       0.95855000      26.51045000      -0.17125587      -0.19860627       0.00752835
O        0.14012000       4.99279000       7.46617000      -0.06041927      -0.28839452      -0.09593334
O       -1.32053000       2.63631000       7.36490000      -0.01961163       0.76491736       0.70165211
O        1.26130000       2.62453000       7.47566000       1.77010428       0.05178171       0.09688439
Zn       5.84002000       0.04731000      27.35206000       1.70737271      -0.49690669      -0.92680763
Zn       2.96144000       1.78710000       8.02675000       0.12854704      -0.54746502      -0.68493451
Zn      -0.06469000       3.32444000      17.46372000       0.69204620       0.43229433       0.23205918
Zn       2.98291000       5.01764000      23.69623000      -0.37452493       0.57244975      -0.95567470
Zn       2.80154000       1.61507000       4.43281000       2.79602941       1.23879120       0.39856526
Zn      -0.05307000       3.60428000      13.88613000       0.03259541      -0.68732546       0.71102276
Zn       5.72566000       0.13379000      13.11730000      -0.19888382      -0.32425883       0.16089649
Zn       3.18573000       1.57072000      22.93720000      -1.01408320      -0.16353724       0.21972822
Zn      -0.05561000       3.37685000       3.95028000       0.16843888       0.43278712      -0.17439676
Zn       2.88586000       5.04580000       9.34920000      -0.59595010       0.42128346      -1.03626304
Zn       2.98207000       1.52016000      19.01299000      -1.71779537       1.43631466      -1.09493358
Zn       0.35548000       3.23453000       0.00083000      -1.37746690       1.88055804      -0.81826234
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.27173379 magmom=71.9992628 free_energy=-552.27591094 stress="-0.0502924998242491 0.001265674778719128 -0.0005397092734808679 0.001265674778719128 -0.03376165941866676 -0.0051529697867377594 -0.0005397092734808679 -0.0051529697867377594 -0.043594867303159195" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50179000       0.82107000      15.79432000      -1.65383118       1.69976222      -0.08860770
Cr       4.37299000       0.84420000      15.83183000       0.86341928       0.59690110       0.33766115
Cr       2.90670000       3.50593000      15.68696000       0.03427077      -0.23989700       1.73642347
Cr      -1.43089000       2.59896000      25.43356000       1.66927374       2.33523912      -1.14573920
Cr       1.60767000       2.49325000      25.42180000      -2.44629699       2.23976750      -1.39754241
Cr       3.12016000       0.15346000      25.38706000      -2.43715088      -1.93488676       0.31486774
Cr       1.56231000       4.19196000       6.32571000       0.11179578       0.90225519      -0.54448652
Cr      -1.43937000       4.32870000       6.27724000       1.02496147      -2.33254040       1.25118876
Cr       0.12240000       1.81073000       6.27624000      -2.22310680      -0.78842502       0.10744341
Cr       2.80823000       5.07597000      18.21568000       0.57419489       1.50456738      -0.29844492
Cr       3.10887000       1.76909000      27.80964000       0.11063901      -0.68030038      -0.33100531
Cr       0.06540000       3.34961000       8.71885000      -1.38611924       1.68333656      -1.56348431
Cr      -0.02487000       0.06639000       3.94366000       0.40440458      -0.76209145      -1.48839887
Cr       2.74368000       1.70394000      13.32938000       1.55233485       1.13828551       1.58591920
Cr      -0.05307000       3.48584000      22.96155000       1.18438253      -2.24984825       0.54556860
Cr      -0.16468000       1.63897000      20.72607000       1.08045905      -0.05416378      -1.58364559
Cr       1.42348000       4.04098000      20.56076000      -1.22829463       1.82370654       1.15177660
Cr      -1.67815000       4.30742000      20.51074000       4.00794125      -0.48996895       2.61480696
Cr       2.99646000       3.44636000       1.59752000       1.26182972      -1.00451020      -0.26327713
Cr       1.65821000       0.75788000       1.68055000      -1.78370536      -1.21057572      -3.49445978
Cr       4.60797000       0.96852000       1.59944000      -0.62994792       0.20999097      -1.89785590
Cr      -0.10844000       5.10495000      11.04411000      -0.12837161      -1.34294713      -0.27262728
Cr       4.28470000       2.47532000      10.89149000      -0.81238817       3.79376763       3.69855494
Cr       1.42500000       2.49711000      11.05742000      -2.77927359       1.80204944       0.50383689
O        1.20547000       0.89497000      19.49407000      -0.48534643      -1.15264249      -0.38446392
O        4.46264000       0.65383000      19.51169000       0.00491502       0.46207726      -0.28274891
O        2.91948000       3.58639000      19.40221000      -0.58340771      -2.46930677      -1.10954768
O       -1.45794000       2.69252000       0.38178000      -0.57160824      -1.25255777       0.78733290
O        1.82238000       2.32740000       0.46317000      -0.60897867       0.69507395       0.56223589
O        3.27413000       0.24181000       0.48101000      -1.45464007      -1.37640165      -1.06294535
O        1.20792000       4.24231000       9.88175000       2.20244788       0.17895147       1.18181255
O       -1.38103000       4.23114000       9.86173000      -0.53181967      -0.50762486      -0.63731787
O       -0.15819000       1.96941000       9.95669000       2.02784470      -3.54197609      -1.41497252
O        1.41878000       0.73708000      12.08040000       0.24065964       1.86531195       0.57876332
O        4.11687000       1.01068000      12.13436000       0.59834741      -1.10508604       0.09184665
O        2.73056000       3.35338000      12.14561000       0.79011694      -0.81463508       0.13257903
O       -1.32295000       2.56507000      21.82171000      -2.83482244       0.82765851       0.42839491
O        1.21982000       2.55411000      21.76845000       1.10445260      -0.79761177       0.47937192
O       -0.03225000       4.86471000      21.71965000      -0.45088451       2.12779698      -0.44398997
O        1.65781000       4.43371000       2.56503000      -0.37958128      -0.78637733       2.56188282
O       -1.44828000       4.28514000       2.78903000      -0.81207694      -0.04851251       1.04734927
O        0.12636000       1.66096000       2.66123000       0.97277090       0.14756718       2.00470237
O        1.31526000       0.71489000       5.24436000       1.25277699       2.22081540      -2.03084312
O        4.55243000       0.86517000       5.19760000      -0.04842432      -0.40365097       0.11664537
O        2.94761000       3.55599000       5.09482000       0.39930272      -0.34958494       0.41804118
O        4.23546000       2.45664000      14.71151000       0.27347755       0.80451551      -1.28586319
O        1.57662000       2.58487000      14.63432000      -0.76987302      -0.87638238      -0.10614122
O        2.99992000       0.20372000      14.61962000      -1.14653774       0.16968988      -0.21917301
O        1.25228000       4.22999000      24.26669000       1.98798310      -0.71396493      -0.54515836
O       -1.25935000       4.25594000      24.18568000      -1.52071635       0.65906327       1.84929585
O        0.02489000       1.84502000      24.25444000       0.05179806       0.33018431       0.61528342
O        2.73673000       4.95634000      21.59352000       1.34241831       0.88248315       1.73569134
O        2.95669000       1.62982000       2.50778000       2.88403338       2.28366531       3.15597978
O       -0.16512000       3.30760000      12.11692000       0.42975737       0.44151579      -2.05100883
O        0.09454000       0.07753000       7.29775000      -0.71959678      -0.29335230       0.66343318
O        2.88305000       1.51885000      16.86848000       0.51184356       1.89975422       0.45381756
O        0.19317000       3.48467000      26.49102000      -0.67638602      -0.27148541      -0.18696561
O       -2.85484000       5.02842000       0.54248000       0.53883521       1.59728613       0.43015842
O        2.79156000       1.84221000       9.92045000       0.29487260      -1.89842727      -0.55457066
O       -0.07222000       3.49594000      19.58786000      -1.79890902      -1.67935837      -1.58230278
O       -0.02890000       1.54577000      17.04148000      -0.38284328      -0.72068108      -1.65883329
O        1.42419000       4.34595000      16.97505000       1.85835146      -0.05611959      -1.14328639
O       -1.64872000       4.50493000      16.95682000      -0.56012457      -2.56546078      -0.21464154
O        2.92361000       3.35473000      26.58474000       1.10907875      -1.11822080      -0.59668612
O        1.65915000       0.99209000      26.52620000       0.79612542      -1.01126510       1.07260855
O        4.42891000       1.04972000      26.50007000      -0.31931873      -0.41505833       0.73473253
O        0.16322000       4.83627000       7.43958000      -0.91513127       1.83447577      -0.22048907
O       -1.23089000       2.76376000       7.40689000      -1.09425293      -1.76526109      -0.34333902
O        1.41602000       2.52051000       7.48732000       0.25244816       1.11816474      -0.55128500
Zn       5.84348000       0.02128000      27.26084000       1.11773229       0.33133693      -0.35453387
Zn       3.04023000       1.69483000       8.01833000       0.93100647      -0.61521753      -0.45032565
Zn      -0.10560000       3.35615000      17.54326000      -0.39279072       0.48349063       1.14607542
Zn       2.87518000       5.07755000      23.73193000       0.91544470       0.06273598      -1.01418674
Zn       2.87364000       1.62753000       4.42474000       0.54641113       0.36539784       0.44331472
Zn       0.00361000       3.58662000      13.93519000      -0.54559321      -1.56075203       1.06826238
Zn       5.73382000       0.13674000      13.06952000      -0.22898871      -0.70722483       0.87293001
Zn       3.19424000       1.56005000      22.87658000      -0.79123888       0.03700100      -0.41936811
Zn       0.05158000       3.34573000       3.96806000      -0.15461944       0.29860379      -1.23539364
Zn       5.81970000       0.05715000       9.30310000       0.25122742      -0.27186774       0.10948090
Zn       2.90655000       1.57919000      18.99014000      -0.17180963       0.46516847      -0.71057444
Zn       0.30807000       3.24657000       0.00378000      -1.10757968       1.91680828      -1.40953911
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.7216231 magmom=71.9972581 free_energy=-552.7216231 stress="-0.030118469801353877 -0.002964047801189835 -0.0005213838906118184 -0.002964047801189835 -0.04566416672805316 0.004643855211346747 -0.0005213838906118184 0.004643855211346747 -0.03421889135582623" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55451000       0.86992000      15.76294000      -1.96301483      -0.70878067       2.01690487
Cr       4.49539000       0.79931000      15.90337000      -2.85872045       0.16143019      -1.84427395
Cr       2.91323000       3.52106000      15.70433000      -0.83865019      -2.23269235       0.12202335
Cr      -1.47350000       2.70719000      25.34015000       1.49424383      -0.94433232       0.79295835
Cr       1.53441000       2.47025000      25.33461000       1.39463128       2.55996986       1.87918550
Cr       3.02594000       0.12415000      25.48442000       0.50361878      -0.80416837      -1.18674107
Cr       1.45962000       4.26001000       6.34911000       2.08164357       1.11836035      -1.76818970
Cr      -1.47024000       4.19983000       6.19610000      -0.07110350       0.96642623       0.74245322
Cr       0.06202000       1.81163000       6.26192000       1.46336905      -1.75603028      -0.13228365
Cr       2.85856000       5.07793000      18.26724000      -0.76220529      -1.54010306      -2.47389737
Cr       3.07465000       1.69681000      27.85873000      -0.19307326      -0.03040856      -1.99922401
Cr       0.08921000       3.38620000       8.65254000      -0.25838219      -0.18815396       1.08619043
Cr      -2.92839000       5.10450000       3.92298000       1.20700231       1.63842862      -0.15967929
Cr       2.88590000       1.74856000      13.37354000      -0.11414200      -0.76682456       0.88193227
Cr      -0.05936000       3.55074000      23.06473000       1.55802493       0.17166178      -1.95149240
Cr      -0.25455000       1.59199000      20.78823000       0.97544362       2.52517811      -1.70552794
Cr       1.35435000       4.06337000      20.56438000       0.09483351       1.46929903      -0.35953855
Cr      -1.62666000       4.30871000      20.56961000      -0.38193163      -0.02961514       1.42673739
Cr       2.98082000       3.39568000       1.64584000       0.12214040      -0.49261969      -0.18380250
Cr       1.61904000       0.69738000       1.53469000       0.90542369       0.57683940       0.80969747
Cr       4.55768000       0.92044000       1.61734000       0.45820302      -1.38369403       0.72738636
Cr      -0.07099000       5.10904000      11.02353000      -0.97207522       1.40444165      -1.00212616
Cr       4.35982000       2.49635000      10.93583000      -0.81201464       0.04487520       0.73421695
Cr       1.33392000       2.59480000      11.21247000       1.90335085       0.58992783      -3.29855665
O        1.16852000       0.73453000      19.32733000       0.99149647       1.11829728       2.58165127
O        4.49493000       0.69502000      19.44740000      -1.00836291      -0.21836461       0.93415338
O        2.95254000       3.35746000      19.42096000      -1.02906967       3.52129058       1.41535122
O        4.34503000       2.41113000       0.52844000       0.88555122       2.01622208      -1.21832195
O        1.69486000       2.35165000       0.37216000       0.30911861       0.05258934       1.13549359
O        3.17925000       0.03027000       0.35924000      -0.49173296       2.07683220       0.93123742
O        1.33532000       4.24091000       9.91009000      -0.13605200      -0.00478973       0.04280299
O       -1.40442000       4.03543000       9.83619000       0.35960246       1.58790535      -1.19226278
O        0.14867000       1.79373000       9.92083000      -1.71015241       2.40754812      -0.32421358
O        1.40490000       0.95540000      12.04609000       0.64755939      -1.70606502       2.28643837
O        4.23699000       0.99781000      12.24947000      -0.09334074      -1.02226489      -1.15128737
O        2.87415000       3.20674000      12.17372000       0.40536288       1.96995398       0.16873570
O       -1.44714000       2.81913000      21.88983000      -0.22811135      -1.49792873       0.26054041
O        1.26066000       2.60219000      21.78627000      -0.74830843      -0.75063215       0.57063603
O       -0.06852000       5.03968000      21.55135000       0.20868610       0.25138645       1.98131806
O        1.64836000       4.41473000       2.69294000      -0.63765029      -0.86908157       0.78307097
O       -1.50445000       4.26424000       2.81720000       0.01650314      -0.42829403      -0.44626681
O        0.43236000       1.59115000       2.72845000      -2.94639589       0.28732093       0.38699404
O        1.46635000       0.76182000       5.11766000      -1.35867777      -0.35613796       0.92112711
O        4.58879000       0.92125000       5.20416000       0.30093889      -0.99558350      -0.08979796
O        2.87242000       3.59448000       5.07112000       0.28222421      -0.82602718       1.22041812
O        4.21083000       2.46810000      14.67935000       1.10721412       0.23169122      -0.40383436
O        1.48134000       2.41495000      14.61299000       0.73229426       0.89510851       0.08834657
O        2.91688000       0.19052000      14.57997000       0.58937581      -0.38669529       0.69789699
O        1.42885000       4.17186000      24.34832000      -1.21280441       0.18511785      -0.19982105
O       -1.26559000       4.37718000      24.37017000      -1.43939002       0.29105930      -1.13738648
O        0.12807000       2.03441000      24.27670000      -2.61885921      -2.27285345      -1.54275709
O        2.76445000       5.06823000      21.71087000       0.09767581      -0.68727405       0.38176767
O        3.01352000       1.73628000       2.65385000       0.65067552      -0.88875504      -2.24298806
O       -0.20343000       3.46677000      11.88485000       0.62210341      -0.63750061       3.90871091
O        0.09379000       0.04393000       7.34083000      -0.52126058      -0.05678517      -1.41958702
O        2.99094000       1.65667000      16.94707000      -0.32640494      -0.11940047      -1.52287005
O        0.06082000       3.55069000      26.37744000       0.04959347      -1.43652390       1.42042863
O       -2.87079000       5.03446000       0.59057000       0.03468345       0.54481822      -1.12107103
O        2.83373000       1.71099000      10.02727000       0.43749095      -0.43663084      -1.19949510
O       -0.32004000       3.46257000      19.58989000       2.50249558      -1.86887925      -0.67058859
O       -0.10830000       1.49593000      16.97747000       1.98749626       0.92609796       0.63915212
O        1.62030000       4.16143000      17.02822000      -1.50243207       0.99669165      -0.77790158
O       -1.79712000       4.29711000      16.89607000       2.43880719       1.00727458       0.35816078
O        3.07146000       3.27810000      26.50336000      -1.46920688      -0.17099676       0.82955154
O        1.60565000       0.94723000      26.51181000       0.66237140       0.15652339       0.85434790
O        4.37498000       1.06428000      26.51892000       0.56106120      -0.19407139       0.01624677
O        0.00381000       4.92089000       7.36438000      -0.50007262      -0.53311874       0.21878897
O       -1.26744000       2.63153000       7.39089000       0.22851263       0.10584827      -0.19993786
O        1.55666000       2.66552000       7.37261000      -1.30137303      -0.49149737       0.25620007
Zn       0.00791000       0.00745000      27.14945000       0.05775058      -0.05997697       0.46041035
Zn       3.16168000       1.57180000       7.97794000      -1.18199400       1.01893748       1.32313455
Zn      -0.16021000       3.41319000      17.66691000       0.12143055      -0.23024490      -0.62744253
Zn       5.76030000       0.04493000      23.71426000       1.94768652       1.03091264      -0.80459456
Zn       2.98833000       1.66810000       4.46168000       0.01785118       0.49513100       1.34597515
Zn       0.02716000       3.48658000      14.04070000      -1.28736560      -0.59364036      -0.59636534
Zn       5.73620000       0.10107000      13.06562000       0.89850622      -0.71117956       0.62900380
Zn       3.15329000       1.55188000      22.81462000      -0.96029636       0.56555313      -0.17319389
Zn       0.15621000       3.33033000       3.94338000      -0.13349077       0.21681363      -1.05715530
Zn      -0.08797000       0.16208000       9.24928000       0.55464795      -2.78504360       0.08676313
Zn       2.80656000       1.66344000      18.91581000       0.38123149      -2.20381956      -0.93810228
Zn       0.19065000       3.35845000      28.55225000      -1.18180967      -0.86628373      -1.23196487
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.94232338 magmom=71.999121 free_energy=-552.94232338 stress="-0.034544002341243 -0.0006451829383728329 0.001562313216597899 -0.0006451829383728329 -0.04445354659740145 0.00776514984583153 0.001562313216597899 0.00776514984583153 -0.03873610786993703" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49292000       0.87864000      15.84980000       0.15828150      -1.22239152      -0.87208392
Cr       4.48804000       0.77086000      15.91921000      -0.71816937       1.11644083      -2.69880780
Cr       2.89743000       3.42477000      15.74464000       1.06432320      -0.20496261      -1.23608346
Cr      -1.44881000       2.75812000      25.31306000      -1.82589287      -2.50124489       0.62114956
Cr       1.50475000       2.57439000      25.35281000      -0.01667079      -1.83953197       0.86828090
Cr       2.94625000       0.05564000      25.55607000       1.56140792       0.05288217      -2.14580785
Cr       1.45698000       4.36759000       6.27405000      -1.00253093      -1.56718771      -0.60549477
Cr      -1.48731000       4.10435000       6.17866000       0.30709046       1.54551359       0.07245028
Cr       0.07801000       1.72669000       6.23869000       1.73624102       0.28939164      -0.70117669
Cr       2.87007000       5.02550000      18.22352000       0.44248537       0.72193596       0.50027998
Cr       3.02834000       1.61846000      27.81990000       0.80621453       2.76299344      -0.01766027
Cr       0.08264000       3.42179000       8.61771000       0.19182551       0.16557264      -0.87055868
Cr      -2.82407000       5.10283000       3.90347000      -0.66700264      -0.61916740       1.24158485
Cr       3.02714000       1.75315000      13.45647000      -1.20794658      -1.60208861      -1.19408877
Cr       0.02488000       3.59230000      23.04576000      -1.67783627      -0.33711077      -0.39545013
Cr      -0.27204000       1.65937000      20.75447000       0.88718568      -0.11476621       0.51867409
Cr       1.29289000       4.17406000      20.55888000      -0.11522129       0.38090807       2.32826909
Cr      -1.57850000       4.29973000      20.68667000      -0.96131241      -0.17694841       0.86946960
Cr       2.98085000       3.31964000       1.65317000      -0.16750240       1.32221988      -1.18965501
Cr       1.60619000       0.68891000       1.42459000      -1.91934761       1.45662979       4.06089628
Cr       4.53096000       0.80954000       1.62402000       1.97808909      -0.24363915      -0.42670437
Cr       2.85792000       0.03364000      10.97041000      -0.34528648      -0.92308471       1.99969323
Cr       4.39159000       2.56624000      11.03427000       0.35290385      -0.44164837      -0.80446401
Cr       1.33955000       2.70177000      11.20506000       2.80419325      -1.50604566      -0.05319080
O        1.20328000       0.72328000      19.55355000      -0.36676630       0.82697519      -1.05755952
O        4.37762000       0.71461000      19.51304000       0.03397572       0.04097236      -1.25877759
O        2.79568000       3.58542000      19.62215000       0.98273607      -1.65025594      -2.03683574
O        4.38704000       2.44332000       0.46900000      -0.43758391      -0.06378666      -0.37659669
O        1.64260000       2.40311000       0.48901000       0.07804865       0.39524765      -1.12170223
O        3.02981000       0.14249000       0.38614000       1.70777908      -1.48789949      -0.31852148
O        1.41445000       4.23956000       9.99793000      -0.74626456       0.25736384      -0.93316302
O       -1.34327000       4.07869000       9.70334000      -1.02887209       1.07453638       1.67008552
O        0.16550000       1.97876000       9.83875000      -1.29283182      -1.52667934       1.10251184
O        1.55906000       1.02055000      12.32671000      -0.40625120      -0.16778189      -1.13683860
O        4.25913000       0.84486000      12.15062000       0.19396540       1.02698817       0.15435000
O        3.05761000       3.30031000      12.22718000      -1.31113102       0.26442953      -0.11145263
O       -1.55799000       2.84145000      21.95605000       1.21105597      -1.02669171      -0.37865624
O        1.13317000       2.59304000      21.84609000       0.56033610       0.41126476      -0.70508474
O        2.86508000       0.04016000      21.69399000       0.19954159      -1.73665290       0.01400252
O        1.61271000       4.25880000       2.94605000       0.46864433       0.41731327      -2.42484304
O       -1.61283000       4.21845000       2.72733000       1.78468436       0.06431245      -0.44554787
O        0.22114000       1.49763000       2.80071000      -0.69022780       0.83286460      -1.72852942
O        1.39537000       0.80578000       5.10935000       1.43284896      -0.48108171       0.33816632
O        4.69240000       0.79320000       5.18221000      -1.42421234       0.89480652      -1.31223884
O        2.88342000       3.54863000       5.23514000       0.06511852      -0.85938866      -1.52514119
O        4.31840000       2.50980000      14.61560000      -0.11293416      -0.52154319       1.74358074
O        1.57330000       2.37852000      14.64996000       0.12195249       1.49417832       0.22649152
O        2.91722000       0.21081000      14.71360000       1.09146081      -1.19237249       0.02234799
O        1.38044000       4.14967000      24.36068000      -0.40096905       1.66068379      -0.81340708
O       -1.49676000       4.50687000      24.43838000       1.53714184      -1.08748109      -0.60312259
O       -0.10393000       1.96067000      24.13671000       0.84333109       1.44856136       0.95615934
O        5.78064000       0.01269000      21.76778000      -0.71545372      -0.53598372      -1.13654836
O        3.20066000       1.68865000       2.51739000      -2.41025621      -0.97851512       2.57442866
O       -0.10122000       3.52924000      12.20116000      -0.13250435      -0.54227671      -1.50247675
O       -0.00058000       0.00315000       7.17378000       0.70983199       0.23131754       2.30352509
O        3.02819000       1.77126000      16.74181000      -0.64180301      -0.64348270       2.51583479
O       -0.05111000       3.40542000      26.43145000       1.09171259       0.39759348       0.65249094
O        0.07479000       0.04299000       0.48640000      -0.50197019      -1.44070005      -0.39851271
O        2.97816000       1.53638000       9.92913000       0.13174259       2.63036790      -0.33590909
O       -0.20627000       3.17358000      19.60104000       0.18145697       2.17221870       0.22189107
O        0.09026000       1.53875000      16.95161000      -1.16192237      -0.11195918       1.31061675
O        1.60616000       4.20030000      16.91158000      -1.04325065       0.66772952       1.30509975
O       -1.60054000       4.23867000      16.84507000      -1.12806406       1.45474353       0.78241334
O        2.98434000       3.11784000      26.50655000      -0.53808991       2.00288603       0.44674725
O        1.69289000       0.93049000      26.61299000      -1.15960853       0.59302508      -0.19934759
O        4.41110000       1.04320000      26.48887000      -0.13194061      -0.75688651      -0.27379008
O       -0.20126000       4.89513000       7.31962000       1.90064914       0.73979270       0.42266018
O       -1.23320000       2.52828000       7.32477000      -0.75572365       0.63067054       0.96333731
O        1.38566000       2.76397000       7.29226000       0.66577281      -1.29302022       1.14633780
Zn      -2.87639000       5.10704000      27.07238000      -0.60517688      -0.48718459       0.72001174
Zn       3.22785000       1.49767000       7.99643000      -1.48384548       0.97316208       0.23022585
Zn      -0.20509000       3.45560000      17.74904000       1.38641476      -1.12366906      -0.86719426
Zn       5.78410000       0.16005000      23.66569000      -0.04928400      -0.79405849      -0.07886887
Zn       3.09731000       1.72797000       4.55360000      -0.50122223      -0.31718460      -0.43638122
Zn      -0.00848000       3.35282000      14.10971000       0.51858950       1.19515927       0.04677567
Zn       5.78192000       0.02876000      13.10393000       0.82516186      -0.01499473       0.37492762
Zn       3.06307000       1.57652000      22.76587000      -0.84577238       1.43945494       1.17425045
Zn       0.24345000       3.32355000       3.88345000      -1.15634942      -0.40842601       0.04009209
Zn      -0.06193000       0.14006000       9.19483000       0.86845657      -0.68254671       0.01078776
Zn       2.73833000       1.67200000      18.80286000       0.47137411       0.40144745       0.05383895
Zn       0.01744000       3.43315000      28.43216000       0.45097634      -1.22223353       0.12353727
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.15430475 magmom=72.0028996 free_energy=-553.15430476 stress="-0.03651864600345066 -0.008657307309274153 -0.008460307499201777 -0.008657307309274153 -0.03849013837139122 -0.005829084314897026 -0.008460307499201777 -0.005829084314897026 -0.04157235610312558" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42799000       0.82448000      15.91059000       1.47014709       1.95371959      -2.15913109
Cr       4.44487000       0.78986000      15.84826000       1.11816284       0.35746809       1.70444473
Cr       2.93802000       3.34381000      15.76503000       0.53399624       2.99955509       2.63127879
Cr      -1.52126000       2.66050000      25.35001000      -1.53701182      -0.15079789       0.79968043
Cr       1.48661000       2.60542000      25.42884000      -1.12579139      -0.21288345      -1.83573165
Cr       2.95216000       0.03348000      25.55701000      -0.64848259      -0.08455854      -1.96201033
Cr       1.42233000       4.37089000       6.17391000       0.72496758      -2.47778665       0.57771789
Cr      -1.47681000       4.10862000       6.18816000       0.37017406       0.96727256       0.89803462
Cr       0.17783000       1.66641000       6.19585000      -1.40328786       0.79792529       0.72253204
Cr       2.86860000       5.02071000      18.17348000      -0.81328118       1.53134132       2.99701576
Cr       3.01132000       1.65278000      27.79394000       0.08205364       1.30079574       0.69905301
Cr       0.06455000       3.45361000       8.58293000      -1.13020911      -0.67166771       2.14140807
Cr      -2.74931000       5.08430000       3.91094000      -1.03015950      -1.10785118      -2.15807515
Cr       3.09073000       1.66474000      13.47852000      -0.86030670       0.07665272      -0.04808261
Cr       0.01309000       3.59124000      23.00654000      -2.24296008      -1.73789499       2.46911890
Cr      -0.23168000       1.71182000      20.72734000       0.69752775      -0.63745112      -1.43442152
Cr       1.26355000       4.30190000      20.63996000       2.03031244      -0.55580120      -0.96333237
Cr      -1.61061000       4.28625000      20.81401000      -0.56178514      -0.07498737      -2.68763354
Cr       2.98857000       3.29061000       1.58414000       0.68613610      -0.14714105      -0.42075768
Cr       1.52255000       0.77764000       1.48348000       0.25570847      -0.04773525       0.48311637
Cr       4.56363000       0.69367000       1.59505000      -3.14606701       0.68487964      -1.61787293
Cr       2.82796000       0.06306000      11.01214000       1.37834231       0.60680343       0.88754099
Cr      -1.47844000       2.61637000      11.08551000       0.66746612       0.33805058      -0.63089097
Cr       1.50084000       2.71882000      11.17459000      -0.55001956      -1.11837625      -0.94824346
O        1.20133000       0.83677000      19.65606000      -0.06335631      -0.92735537      -1.12753540
O        4.30407000       0.72467000      19.40355000       0.94538434       0.47900808       0.07982792
O        2.79316000       3.62270000      19.52712000       0.51108896      -1.26312696      -0.35120254
O        4.30122000       2.48978000       0.35884000       0.09717949      -1.20305972       0.71171656
O        1.62312000       2.48421000       0.44664000      -0.12485914      -0.85830951      -0.49339716
O        3.11815000       0.10585000       0.42779000      -1.18307729      -0.00150150      -0.76543666
O        1.28506000       4.25339000       9.92149000       0.71153508       0.40256909      -0.46483482
O       -1.37440000       4.29390000       9.85032000      -0.19596522      -0.55255371      -0.20417234
O       -0.03613000       2.04132000       9.96996000       1.39614686      -1.58948039      -0.78310797
O        1.67696000       1.03974000      12.37961000      -1.19674342      -0.40838934      -1.42270608
O        4.25720000       0.91285000      12.06823000       1.09092248       0.02192758       1.47610152
O        3.01088000       3.36875000      12.21787000      -0.08687723      -0.55781248       0.78593675
O       -1.41488000       2.67930000      21.92160000      -1.50072025      -0.06004605       0.12585199
O        1.09284000       2.67798000      21.79088000       2.43355460      -0.93259097       0.27590399
O       -0.08978000       4.97140000      21.83942000      -0.59148165       3.21065056      -0.92512476
O        1.72812000       4.20350000       2.74513000      -0.32801673       0.00859302       0.80487871
O       -1.49453000       4.23530000       2.57873000       0.22372066       0.04946841       1.43261103
O       -0.08236000       1.45725000       2.64664000       3.40117818       1.38085508       1.83991093
O        1.48570000       0.70354000       5.19078000       0.68637752       0.09099830      -0.66290428
O        4.64823000       0.76033000       5.00082000       1.30119995      -0.14303164       1.20844699
O        2.90937000       3.46882000       5.20118000      -0.08614148       1.52899248      -0.29061341
O        4.33439000       2.41735000      14.83746000       0.68510651       0.56778665      -1.28839336
O        1.71820000       2.53508000      14.70769000      -1.68327712      -1.81048328      -1.23746125
O        3.08018000       0.07438000      14.82063000      -1.87016625       0.10532095      -1.74939198
O        1.22521000       4.32521000      24.28714000       1.95094436      -0.08643095       0.39057863
O       -1.43339000       4.39034000      24.38554000      -0.30875851       0.06040466      -0.39144740
O       -0.18480000       2.10373000      24.17382000       1.92211217      -2.07556033       0.64022260
O        2.76498000       5.09173000      21.61848000      -0.27070423       0.45195650       2.38112225
O        3.00841000       1.48818000       2.66685000      -0.11546628       1.00934376      -0.75884992
O        0.00262000       3.44508000      12.20879000      -0.32356660       0.45617003      -0.52589213
O        2.94994000       5.10660000       7.26681000       0.02755475      -0.14454061      -0.90523208
O        2.95249000       1.73530000      16.86189000       0.02423456      -0.39793435      -0.69358362
O        0.00985000       3.31917000      26.46613000      -0.52575204       1.04595823      -0.75069187
O        2.98023000       5.03587000       0.40862000       0.62101209      -0.22949595       0.76722492
O        3.14037000       1.75488000       9.90260000      -1.96508917      -0.04835208       1.02949820
O       -0.04455000       3.32481000      19.68860000      -2.10369652       0.87847400      -0.92643890
O        0.12994000       1.58812000      17.12453000      -1.34024388      -0.35006102      -1.20396077
O        1.41360000       4.34452000      16.95176000       1.88431120      -0.89493016      -0.09077204
O       -1.59063000       4.43551000      16.94583000      -0.97173967      -2.34888883       0.72100389
O        2.79833000       3.27505000      26.57982000       1.81458556      -0.76833298      -0.16110578
O        1.60851000       1.02685000      26.60593000       0.22707160      -0.52001869      -0.52784117
O        4.40079000       0.93990000      26.39760000      -0.39514529       0.77923851       0.99089461
O       -0.06783000       4.89815000       7.28401000       0.35386990       0.68804577      -0.14272824
O       -1.23786000       2.58517000       7.34428000      -0.30112617      -0.73060739      -0.38623019
O        1.31138000       2.64329000       7.37710000       1.80031689       0.16625511      -0.42322366
Zn      -2.84663000       5.07490000      27.03607000      -0.78284410       0.57433428       0.83243654
Zn       3.21081000       1.48601000       8.03108000      -0.82737534       1.38554312       0.10191962
Zn      -0.17714000       3.44016000      17.77929000       0.78071356      -0.35596767      -0.02686723
Zn      -0.08314000       0.23926000      23.61193000       0.00345962      -0.66449026       0.10876184
Zn       3.17193000       1.76751000       4.61307000      -1.35629070      -0.99357619      -1.65375736
Zn      -0.01937000       3.28611000      14.17823000       0.72950618       0.79585578      -0.37930225
Zn       2.91871000       5.07118000      13.17280000       0.17567008       0.78407226       0.38717773
Zn       2.93265000       1.66759000      22.77645000      -0.39725093       0.72467906       0.35549187
Zn       0.26907000       3.30243000       3.82676000      -0.79627841       0.18761758      -1.04415694
Zn       0.00029000       0.06546000       9.15072000      -0.36522222       0.44397199       1.64794974
Zn       2.69678000       1.68496000      18.70333000       0.08071689       0.34594577       2.20165482
Zn      -0.11661000       3.43931000      28.32652000       1.21212543      -0.29663964       1.31648163
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.40982195 magmom=71.9969049 free_energy=-553.40982195 stress="-0.03258918800346035 -0.0003555695000190082 0.0040145150082070155 -0.0003555695000190082 -0.031674827937921195 -0.01056906100748415 0.0040145150082070155 -0.01056906100748415 -0.03886200264170027" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42398000       0.83486000      15.88450000      -0.12624156      -0.45436152      -1.27671807
Cr       4.46797000       0.79698000      15.89236000      -1.15783792      -0.16760656      -0.77773531
Cr       2.98781000       3.42485000      15.93556000      -1.48643455      -1.39217913      -1.74973461
Cr       4.22027000       2.53103000      25.44303000       3.08963276       1.58257971      -2.96484282
Cr       1.43586000       2.61712000      25.43263000       0.75915059       1.36307583      -1.46919890
Cr       2.93401000       0.05210000      25.48396000      -0.71181767       0.23953844      -2.17563935
Cr       1.42374000       4.21215000       6.10328000       2.24528565      -0.15980807       0.60749394
Cr      -1.42737000       4.17434000       6.25244000       0.11443896       0.34578197      -0.06597120
Cr       0.22403000       1.66206000       6.19856000      -0.58967697      -0.44591730       0.16875975
Cr       2.80691000       5.10742000      18.24386000       0.61267109      -0.45354744       0.99382101
Cr       2.97821000       1.73620000      27.78316000      -1.53374452      -2.08554815      -0.52643461
Cr      -0.00341000       3.44149000       8.64348000       0.46399330      -1.05909825       0.38225713
Cr      -2.73041000       5.00919000       3.80329000      -0.02407611       1.37451365       0.53621185
Cr       3.07694000       1.57236000      13.47695000      -1.34399614       2.13171277       0.07951970
Cr      -0.11174000       3.50075000      23.07595000       1.69515347      -0.10333227      -1.05709155
Cr      -0.13908000       1.72048000      20.63563000      -0.01811049       1.47701714       0.35128730
Cr       1.32336000       4.40110000      20.67263000      -1.03464446      -1.20453226      -0.54816224
Cr      -1.69172000       4.27850000      20.79310000       0.47255329      -0.18310534      -1.28324931
Cr       3.03090000       3.24765000       1.47921000       0.04044586       0.27819812       2.09679029
Cr       1.45209000       0.86957000       1.56240000       0.80395295      -2.14709988      -2.02922644
Cr       4.46382000       0.63538000       1.48959000       0.07456357       1.14767565       0.98303747
Cr       2.89410000       0.12266000      11.10778000       2.56729798      -0.54062919      -1.04010716
Cr      -1.40697000       2.67186000      11.09596000      -0.27018187      -0.60388840       0.62351472
Cr       1.62335000       2.67401000      11.09559000      -4.09903575       0.95304842       0.00741295
O        1.14087000       0.77305000      19.54267000       0.46734074       0.08758245      -0.15726052
O        4.43036000       0.80973000      19.34390000      -0.64362840       0.51242052       1.66169616
O        2.91948000       3.46796000      19.34123000      -0.91577370       1.61544942       1.88846723
O        4.26360000       2.30233000       0.39792000       2.13106763       0.32971948      -0.35088618
O        1.58980000       2.43472000       0.31422000      -0.40781024       0.29012313       0.46032419
O        3.04245000       0.04961000       0.33668000      -0.96276430       0.90444943      -0.25956489
O        1.22960000       4.32022000       9.77887000       1.22640865       0.10699488       0.86702297
O       -1.39343000       4.38914000      10.04115000       0.47124264      -1.41621354      -1.55575979
O       -0.03237000       1.82330000       9.99691000       0.69415934       1.36029528      -1.37185083
O        1.64532000       1.01624000      12.17448000      -0.62459995      -0.19282510       1.74486901
O        4.41004000       1.04321000      12.24464000       0.45028944      -1.29799931      -0.25977526
O        2.95018000       3.27422000      12.33669000       1.29184365       0.68238376       0.50002237
O       -1.43758000       2.55177000      21.86098000      -0.18728359       1.07800274       0.33626671
O        1.36738000       2.67265000      21.76527000      -1.80946318       0.51228874      -0.08046599
O        2.76151000       0.00389000      21.83780000       0.08077923      -0.76878174       0.24788999
O        1.85250000       4.22793000       2.59565000      -1.89423148      -0.45945169       1.43737234
O       -1.38196000       4.28840000       2.64436000      -0.17276025      -1.29951430      -0.36622903
O        0.09758000       1.53320000       2.67358000      -1.35186808       0.18874809       0.14030388
O        1.63747000       0.61716000       5.16059000      -0.91258029       1.24014107      -0.60428136
O        4.80745000       0.71824000       5.02790000      -1.26981820       0.84510601      -0.01017298
O        2.95084000       3.62510000       5.08730000       1.11732413      -2.38117683       0.11650645
O        4.33158000       2.41839000      14.86953000       0.12665154       0.53292770      -0.88538256
O        1.70288000       2.41017000      14.66070000      -0.49509274       0.09354073       0.90935109
O        2.99192000       0.04720000      14.68883000      -0.26286312      -0.03023255       0.84187930
O        1.31537000       4.44504000      24.26059000      -0.13020620      -1.50224430       0.12080212
O       -1.36145000       4.21531000      24.29038000      -1.85681178       0.91178814       0.54565774
O        0.03249000       1.99918000      24.36200000      -1.42416218      -0.76142665      -1.16774610
O        5.65256000       0.03575000      21.75355000       1.07134514       0.50137298      -1.33676622
O        2.78496000       1.51514000       2.65209000       3.08512767       1.53684819      -0.22866251
O        0.07804000       3.44986000      11.99600000      -0.01746828       1.01738276       2.31266768
O       -2.91650000       5.08962000       7.21439000       0.19182712      -0.29882926       0.22306725
O        2.87400000       1.61057000      16.81870000       0.73463449       0.58024743       0.79027682
O       -0.02921000       3.44898000      26.32767000      -1.02718578      -0.24936068       1.95516347
O        3.03713000       4.88869000       0.50392000      -0.12426951       1.57334872      -1.57734272
O        2.97035000       1.96495000      10.10165000       1.55404799      -2.20705354      -2.51296558
O       -0.21239000       3.71680000      19.67909000       0.72853404      -2.16024477      -0.03562059
O       -0.08562000       1.57410000      17.06909000       0.83759177       0.28947204      -0.61593231
O        1.53251000       4.32323000      16.97484000      -0.30482779      -1.03326093       0.11055360
O       -1.74661000       4.33945000      17.08749000       1.83729608       0.34609494      -0.39094998
O        2.89209000       3.27267000      26.55259000      -0.18116889       0.04008963       0.42386448
O        1.52706000       1.04344000      26.45211000       0.77073871      -0.86723827       1.17615357
O        4.31818000       0.95750000      26.46255000       0.10880841      -0.53256147       1.47930905
O        0.14949000       4.94634000       7.25001000      -1.74423311      -0.54276665       1.17762005
O       -1.25305000       2.56540000       7.30065000       0.27451919      -0.42890918       0.32486718
O        1.47267000       2.56177000       7.39507000      -0.56223467       0.77469864      -0.10095591
Zn      -2.85938000       5.07595000      27.05063000      -0.78293258       0.81062286       1.11735578
Zn       3.14348000       1.55252000       8.07367000      -0.54196259       1.10957312       0.70045167
Zn      -0.09719000       3.39833000      17.79894000      -0.07213265       0.36896117      -0.57136999
Zn      -0.04689000       0.27692000      23.56895000       0.35203828      -0.90403308       1.44236580
Zn       3.18481000       1.75882000       4.59779000      -0.22171562      -0.65949253      -0.56677305
Zn       0.01568000       3.26423000      14.22974000       0.50094188       0.31594219      -1.34709126
Zn      -2.88108000       5.04234000      13.26860000      -0.20926064       0.49938169      -0.24422022
Zn       2.77505000       1.80754000      22.82205000       0.49638025      -0.15930288       0.29232140
Zn       0.24280000       3.28405000       3.73743000      -0.41659808       0.33298925      -0.49207213
Zn       0.04502000       0.01074000       9.17922000      -1.04917125       0.46455645       0.33209956
Zn       2.66210000       1.71314000      18.71577000       0.52597353      -0.77097562       1.02377370
Zn      -0.18593000       3.42166000      28.28295000       0.90662612      -0.82213671       0.52376082
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.71856262 magmom=72.0546472 free_energy=-552.7224551 stress="-0.019531173195109452 -0.0013415917084888722 0.0051916755755970646 -0.0013415917084888722 -0.033225072740994024 0.008843899665022501 0.0051916755755970646 0.008843899665022501 -0.030430826337770014" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40919000       0.81617000      15.81368000      -0.21967085      -2.03423388       1.22172609
Cr       4.44482000       0.76091000      15.94803000      -1.76330840       0.22230469      -3.21020978
Cr       2.97653000       3.44919000      16.04599000       1.02556039      -2.77391424      -3.60440800
Cr       4.21598000       2.46259000      25.43465000       2.73534112       1.51305857      -0.87721344
Cr       1.42403000       2.67835000      25.38198000       0.30175688      -0.30218508       1.49769410
Cr       2.87386000       0.09567000      25.32570000      -0.01380154      -0.91754118       0.34972472
Cr       1.55125000       4.04631000       6.07714000       0.63414991       2.59893653       0.38718950
Cr      -1.35437000       4.25598000       6.30990000       0.50342210      -1.45719861      -2.14036355
Cr       0.22846000       1.64416000       6.22318000      -0.88741922      -0.13705614      -0.76096932
Cr       5.69408000       0.05523000      18.33988000       1.12946614      -0.59194037      -2.51703475
Cr       2.87473000       1.71827000      27.74243000       0.07070179      -0.60267458       1.04288028
Cr      -0.03256000       3.37516000       8.72518000       1.64948389       1.41297197      -3.49925489
Cr      -2.73219000       5.00003000       3.72519000      -0.86389604       0.89158424       2.99681098
Cr       2.99202000       1.60148000      13.48123000       0.51681357       1.12628332       0.26091498
Cr      -0.17097000       3.39876000      23.09826000       0.89939994       1.50125222      -1.73369656
Cr      -0.04046000       1.80943000      20.55473000      -0.74310284       1.91566162       1.91720217
Cr       1.34304000       4.43674000      20.65932000      -1.96421802       0.08512447       1.13894105
Cr      -1.74396000       4.27031000      20.68626000       2.71661847       0.53574319       1.41455489
Cr       3.07551000       3.22291000       1.42506000       0.00795129       3.40473320       0.31720545
Cr       1.45644000       0.85757000       1.53178000       0.62132119      -0.64370385      -0.49916124
Cr       4.34227000       0.62695000       1.41533000       1.86649044      -0.34889620       1.72597226
Cr       3.09286000       0.15290000      11.15248000      -0.25678701      -0.41318646      -1.36087375
Cr      -1.33757000       2.68360000      11.15375000      -0.63491383      -1.27740850       0.87911333
Cr       1.53095000       2.66512000      11.02346000       0.74386964      -0.19524530       1.00993611
O        1.17108000       0.72849000      19.42080000       0.37937535       1.29443467       0.78230945
O        4.45112000       0.98708000      19.56382000      -1.15044736      -0.67773398      -1.36335312
O        2.85396000       3.59452000      19.47933000      -1.94403049      -0.51883704      -0.09542662
O        4.53104000       2.18533000       0.38493000      -2.93188550       1.00141084      -0.66053054
O        1.49245000       2.42141000       0.30798000       0.68667431       0.85668095       0.23594921
O        2.79370000       0.17226000       0.24561000       0.90359199      -1.32087812       0.57113199
O        1.34636000       4.34131000       9.81187000       0.12392589      -0.81383192       1.22622513
O       -1.25254000       4.21022000       9.98856000      -0.72463222       0.98296026      -0.24156660
O        0.12285000       1.89598000       9.81742000      -0.33521994      -1.03603940       2.13160017
O        1.60346000       0.97917000      12.17669000       0.37985020       0.05323329       0.29116076
O        4.55848000       0.99655000      12.38021000      -1.03000052      -0.13125553      -0.96362588
O        3.08875000       3.22798000      12.44679000      -0.39147705       0.89926248      -1.75673996
O       -1.46630000       2.67201000      21.84745000      -0.37269988      -0.39750430      -0.06781321
O        1.27851000       2.77859000      21.71779000      -0.35656885      -0.25358843       0.68227368
O       -0.27407000       5.10762000      21.83609000       0.67204659      -0.58900182       0.45943646
O        1.71165000       4.22334000       2.67420000       0.00947192      -0.29669420      -1.08257657
O       -1.39500000       4.16830000       2.64545000      -0.09001129       0.25189798      -1.45052411
O        0.16065000       1.55299000       2.72103000      -1.14341957      -0.64248294      -0.73825786
O        1.56653000       0.71312000       5.05400000       0.09146854      -0.06541417       0.18769716
O        4.81187000       0.73942000       5.08919000      -0.89695559      -0.61186988      -0.87875617
O        3.17596000       3.51099000       5.01711000      -0.40996864       0.20130921       0.61486864
O        4.28460000       2.49935000      14.72197000      -0.15482597      -0.82628977       1.42277435
O        1.60802000       2.27950000      14.72630000       0.15495226       2.40742206      -0.51835049
O        2.82102000       0.07243000      14.67341000       1.17374536      -0.91163611       0.86963321
O        1.34955000       4.26860000      24.28088000      -0.68410950       0.31211677      -0.70518854
O       -1.53709000       4.15756000      24.27044000       0.46195490       0.05554850       0.14214807
O        0.03480000       1.84336000      24.40541000      -1.68830237       1.73385745      -0.50370674
O        5.76950000       0.19200000      21.62245000      -0.36170933      -0.47658610       0.94605197
O        3.03875000       1.75347000       2.45919000      -0.34729457      -3.13659517       1.43442370
O        0.12851000       3.61401000      12.12836000       0.12190068      -1.41354194       0.53568040
O       -2.85042000       5.02712000       7.14226000      -0.52815382       0.07373159       2.18910543
O        2.92282000       1.59753000      16.78638000      -0.21236314       0.58658941       2.31593055
O       -0.23336000       3.56454000      26.39436000       0.88853870      -0.94895228      -1.03193339
O       -2.84934000       4.98511000       0.44895000      -0.75597798      -0.14627865       0.04942468
O        2.99390000       1.79903000       9.98001000       0.68290786       0.38479972       2.17949292
O       -0.22856000       3.68233000      19.68103000       1.65342342      -1.69348837      -0.77208166
O       -0.09825000       1.61361000      16.89359000       1.10042633      -0.52033376       1.79257071
O        1.57893000       4.15832000      17.03318000      -0.96610232       1.71405823       0.97030397
O       -1.60052000       4.27347000      17.12675000      -1.02786811       1.40695854      -0.07688854
O        2.93352000       3.26274000      26.55251000      -0.96731217       0.52539823      -0.35202758
O        1.59138000       0.97356000      26.43669000      -0.64596074       0.78135504      -0.00132408
O        4.26385000       0.91680000      26.67938000      -0.28445586      -0.24400010      -2.45504227
O        0.09768000       4.82975000       7.37018000       0.52777472       1.17565771       0.33438710
O       -1.18521000       2.50921000       7.29831000      -0.72145303       0.37677286       1.00312641
O        1.48816000       2.63124000       7.35237000      -0.09453462      -0.86978968       0.90370442
Zn       0.03705000       0.01401000      27.12343000      -0.02573879       0.23516176       0.50523613
Zn       3.04966000       1.67932000       8.14300000       0.33606812      -0.42751997      -2.03479436
Zn      -0.01767000       3.37235000      17.78892000      -0.58392463      -0.05674492      -0.38962904
Zn       0.00229000       0.24790000      23.58292000      -0.40365446      -2.40994600      -0.71734201
Zn       3.18038000       1.70737000       4.54508000       0.23995130      -1.14152471      -0.54891116
Zn       0.07936000       3.26475000      14.21484000      -0.48022209       0.65704338      -1.03010801
Zn      -2.78827000       5.04237000      13.36920000      -0.31277334       0.16358721      -0.38312738
Zn       2.64210000       1.94317000      22.89144000       1.03711994      -0.83098468      -0.32456157
Zn       0.19411000       3.28550000       3.63464000      -0.20609555       0.28247704       0.58944625
Zn      -2.90824000       5.08942000       9.23190000       0.56388525       0.27325419      -0.61596379
Zn       2.65627000       1.71364000      18.80595000       1.35589347       0.28729505      -0.23708426
Zn      -0.19994000       3.37000000      28.27435000       1.60997320       0.92259988       0.67446193
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.73917751 magmom=72.0057877 free_energy=-551.73917751 stress="-0.04036283366044234 0.001800229146122365 0.0005643991044810532 0.001800229146122365 -0.04111646486709239 0.006123110918383962 0.0005643991044810532 0.006123110918383962 -0.05101722540376742" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37150000       0.70435000      15.80685000       0.67003146       1.90754918       0.70061185
Cr       4.33895000       0.73812000      15.89863000       0.72117421       0.68576093       0.74693179
Cr       2.99954000       3.33651000      15.99758000      -1.16922358       0.54371829       0.34638543
Cr       4.33695000       2.47987000      25.41249000      -2.80558095       1.45521964       0.67211822
Cr       1.43297000       2.71032000      25.42286000      -2.27947526      -1.17389662      -0.94689227
Cr       2.81162000       0.10108000      25.20182000      -0.49930668      -0.90308177       0.77559271
Cr       1.72268000       4.02340000       6.09821000      -1.11525323       1.76182682       1.33990670
Cr      -1.24970000       4.26134000       6.26693000      -0.28735383      -0.75927859      -0.00390948
Cr       0.16532000       1.61750000       6.22271000      -1.42257981      -0.01891322       0.38882445
Cr       5.68460000       0.07440000      18.32074000       1.21373966       0.58758064       0.36989312
Cr       2.80815000       1.68405000      27.74933000       0.42952115       0.05741061      -1.47311237
Cr       0.04161000       3.37367000       8.64720000       1.18965829       0.04848607       1.59902435
Cr      -2.78322000       5.04008000       3.79087000      -0.58909711      -1.67350570      -0.52833023
Cr       2.92984000       1.71866000      13.49844000       0.94506563      -0.42110970      -0.39138837
Cr      -0.18733000       3.39248000      23.00904000      -1.48508074       1.65024779       0.74534198
Cr      -0.01076000       1.94259000      20.56252000      -2.33516251      -4.52717344       2.18218808
Cr       1.26185000       4.49490000      20.67885000      -0.33918340       1.21862688       1.49302490
Cr      -1.66259000       4.30129000      20.63041000       0.08245414       0.69475341       0.15830726
Cr       3.10746000       3.31546000       1.36416000      -2.26208743      -0.21647964       1.60076467
Cr       1.48447000       0.81047000       1.44696000      -1.08997346       0.61073361       1.89804776
Cr       4.33115000       0.61034000       1.40461000       2.28130320       0.27724092       0.31708353
Cr       3.27354000       0.12969000      11.13755000      -3.48132171      -2.32494785       0.62070525
Cr      -1.30285000       2.63105000      11.26492000       0.53128978      -0.16097580      -2.02680262
Cr       1.45808000       2.64563000      11.05940000       4.24126458      -2.00114205       2.93375703
O        1.20721000       0.85779000      19.47079000      -0.87208917      -0.69778410       0.15431059
O        4.29167000       1.07367000      19.61300000       2.21451657      -1.29298227      -0.68109975
O        2.54594000       3.69043000      19.62263000       2.80909705      -0.70459837      -1.74455589
O        4.27339000       2.25183000       0.27056000       0.64908042       0.50978713      -0.60626089
O        1.50209000       2.51982000       0.42009000       0.46448663      -0.45074478      -0.70438635
O        2.74713000       0.08411000       0.27597000       1.49121165      -0.42927532      -0.73482597
O        1.47400000       4.19819000      10.03892000       0.40977519       0.63432499      -2.17731277
O       -1.18920000       4.12563000       9.89506000      -0.56461537       0.89322401       0.81682023
O        0.19601000       1.89467000       9.95170000      -1.54765154      -1.27964571      -0.83981703
O        1.69400000       0.98209000      12.23619000      -0.49197459      -0.35593369      -0.12100851
O        4.46057000       0.94276000      12.32062000       0.83380220       0.69422403       1.61962090
O        3.16458000       3.28066000      12.25351000      -1.78687635       0.84389121       1.52123072
O       -1.51874000       2.78583000      21.79979000      -1.22289299      -1.48267085      -0.23798089
O        1.08313000       2.87686000      21.78024000       3.51982883      -1.52036151       0.33842042
O       -0.23935000       4.93024000      21.88708000      -0.34490999       2.34179621      -0.58754555
O        1.63347000       4.20282000       2.58844000       0.72781331      -0.52951549       0.55620404
O       -1.51280000       4.14267000       2.43602000       1.37128897       1.27347482       1.63904432
O        0.00551000       1.39172000       2.63207000       0.05183056       1.32169982      -0.48966716
O        1.44997000       0.78512000       5.01533000       1.15390146      -0.38383862       0.51376047
O        4.71331000       0.62771000       5.03486000       0.58415274      -0.24415484       0.84726693
O        3.32093000       3.44940000       5.08246000      -1.02668126      -0.05756302      -0.36688568
O        4.17965000       2.38774000      14.83014000       2.08262454       0.42377863      -0.38630669
O        1.61664000       2.44222000      14.79117000       0.59460039      -0.50426497       0.43333608
O        2.87032000       0.02617000      14.82846000       0.48320320       0.11876143      -0.96097986
O        1.20133000       4.13801000      24.19487000       0.97132798       1.83933496      -0.30475264
O       -1.58651000       4.11236000      24.30058000       0.49934328       0.68183304      -0.37172596
O       -0.22587000       1.97021000      24.30957000       2.52953063      -2.83709564      -1.04691763
O       -0.06949000       0.23539000      21.54370000      -0.58024813      -0.62934516       2.17241151
O        3.22445000       1.60025000       2.44583000      -3.38267078       0.93969935       1.35551791
O        0.17873000       3.55417000      12.26949000      -0.31037867      -0.54155923      -1.10391677
O       -2.82007000       4.97215000       7.34399000       0.18515187       0.29972418      -1.62183505
O        2.99320000       1.69870000      17.04759000      -0.24112862      -0.51161858      -1.88792296
O       -0.26569000       3.50751000      26.31264000       1.76751790       0.12553471       1.29379149
O        2.94602000       5.09790000       0.47042000       0.55564894      -0.89558072      -0.77054511
O        3.24082000       1.65050000      10.11363000      -0.87881290       2.33324286      -1.53180315
O        0.04041000       3.40420000      19.57794000      -1.91884936       3.81220183      -0.67258054
O        0.07580000       1.53412000      16.96134000      -1.89776104      -0.02640510      -0.01843259
O        1.53789000       4.28556000      17.13478000       0.57819404       0.23622362      -1.70833813
O       -1.62884000       4.44539000      17.09383000      -0.53168300      -2.01816018       0.62139391
O        2.79468000       3.36021000      26.51049000       1.30100385      -0.73548869       0.96639791
O        1.55605000       1.01799000      26.44278000      -1.16705524      -0.18043763      -0.14414559
O        4.13788000       0.81732000      26.46528000       0.42279929       0.71642218       0.16725031
O        0.08698000       4.87483000       7.48388000       0.94121175       1.44772062      -1.35405977
O       -1.18002000       2.54693000       7.41599000      -0.68932718      -0.00223240      -1.05357014
O        1.41882000       2.59655000       7.36649000       0.48876845      -0.60713009      -0.12519861
Zn      -0.02629000       0.07813000      27.20823000      -0.19069560       0.05439363      -1.27001933
Zn       2.97114000       1.79027000       8.13878000       1.07363416      -0.98771767       0.46174016
Zn       0.02039000       3.34105000      17.75317000      -0.96620281      -0.15392203      -1.58648587
Zn       0.02988000       0.11412000      23.57926000      -1.17475784       0.25570492      -0.66432493
Zn       3.18011000       1.60017000       4.45691000      -0.35117040       0.10600467      -0.66214635
Zn       0.11418000       3.30298000      14.14675000      -1.39773437       0.28286146       0.22432564
Zn      -2.71122000       5.05351000      13.45857000      -0.37916542       0.02297938      -1.05836283
Zn       2.56524000       2.03490000      22.95974000       0.93367735      -0.64110017      -0.75234939
Zn       0.13395000       3.30056000       3.56509000      -0.19630519      -0.26868834      -0.10543025
Zn      -2.88749000       5.07086000       9.26527000       0.90728017       0.27312219       0.97115396
Zn       2.72307000       1.73126000      18.89650000      -0.00063402       1.37505825       0.37661462
Zn      -0.13332000       3.35287000      28.28756000       0.37114604      -0.20585939      -0.11518926
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.64605967 magmom=72.0019711 free_energy=-552.64605967 stress="-0.03926568083897483 -0.0037393110298966615 -0.010200063961637357 -0.0037393110298966615 -0.0344267398699518 -0.0009543880806577302 -0.010200063961637357 -0.0009543880806577302 -0.04427358625703896" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36265000       0.67496000      15.86064000       1.22700218       1.42124178       0.01026138
Cr       4.30122000       0.76224000      15.91830000       2.12070304       1.44170843      -0.41080515
Cr       2.98325000       3.26888000      15.98011000       0.38222426       2.69742586       0.29872383
Cr       4.32927000       2.57043000      25.44048000      -0.12115559      -0.48642828      -1.85094661
Cr       1.35745000       2.66663000      25.44260000       0.50693592      -0.19236262      -3.79412418
Cr       2.73228000       0.06999000      25.15205000       0.81697191       1.04088613       1.17533651
Cr       1.82013000       4.09658000       6.20871000      -2.73006609      -1.05953854       1.76339400
Cr      -1.15306000       4.21519000       6.20731000      -0.85628305       0.84278520      -0.03787726
Cr       0.03036000       1.59593000       6.23921000       0.87472881       0.07072165       0.00197386
Cr       5.72606000       0.10590000      18.33505000       0.99264701      -1.86625793      -0.86251180
Cr       2.74840000       1.67269000      27.70653000       1.05769570      -1.01499422      -1.84161820
Cr       0.17165000       3.40881000       8.61491000      -0.80464765       0.07349961       2.45823508
Cr      -2.85614000       5.00293000       3.83204000       1.57991797      -0.47838121      -1.23298683
Cr       2.93879000       1.82050000      13.50317000       1.96142656      -1.25862913       1.41176057
Cr      -0.25966000       3.46984000      22.92832000       1.04488010      -1.34519628       0.17130272
Cr      -0.11069000       1.86584000      20.65921000      -0.14499451       0.45629384       1.34532969
Cr       1.20797000       4.60556000      20.73186000       2.83325846      -2.93178484       0.10700523
Cr      -1.58533000       4.38001000      20.58696000      -2.60097225      -0.83101781       0.89679240
Cr       3.02510000       3.39008000       1.36155000       0.31957431      -1.87868299       1.80038792
Cr       1.47398000       0.80825000       1.41502000      -0.16978050      -0.08214853       0.47677438
Cr       4.41424000       0.63448000       1.42529000      -1.89411576       1.49227340       0.04552349
Cr       3.27594000       0.01044000      11.13758000      -1.72222526       0.38170519       0.11882448
Cr      -1.27516000       2.57786000      11.27499000      -0.96094742       0.39031144      -1.66263256
Cr       1.61450000       2.51277000      11.22190000       0.48314157       0.02443668      -2.66904416
O        1.12665000       0.90104000      19.58377000       1.59191984       0.45224192      -1.22458493
O        4.48595000       0.93395000      19.51778000      -1.41759317       1.30213357      -0.04782279
O        2.65660000       3.66429000      19.51458000       0.71946900       0.62461138       0.56050036
O        4.14808000       2.41332000       0.12809000       1.94513624      -0.66345010       1.08904499
O        1.58113000       2.52265000       0.41473000      -0.73539835      -0.75039148      -0.78564427
O        0.02211000       5.08970000       0.26241000      -0.85557132       1.83849808       0.06577856
O        1.56053000       4.09122000       9.99138000      -0.68416989      -0.04858906      -0.83913543
O       -1.15802000       4.17192000       9.95834000       1.06287104       0.15946266      -0.14230510
O        0.08291000       1.72420000      10.08674000       0.93091151       1.32356456      -0.77424619
O        1.76852000       0.94413000      12.27706000      -0.54952465      -1.32819524       0.36933327
O        4.37961000       1.00979000      12.44491000       0.82374089      -0.49105586      -0.17691344
O        3.00692000       3.39629000      12.27006000       0.85989479      -0.10877709       1.13923682
O        4.21720000       2.70908000      21.70436000       1.27512676       0.19252235       0.29815992
O        1.29518000       2.76388000      21.86927000      -2.45972654       1.00204991      -1.79676913
O       -0.25713000       5.07377000      21.81925000      -0.45436465       0.96887782       0.51990098
O        1.73587000       4.16412000       2.56152000      -1.12245198       0.12581439       1.11511312
O       -1.50506000       4.33557000       2.46734000       0.12289154      -1.58986266       1.11701638
O       -0.11356000       1.37055000       2.48727000       1.11804435       1.68753762       1.65391329
O        1.45780000       0.74498000       5.09788000       0.10436796      -0.02584133      -0.44447100
O        4.72939000       0.48843000       5.11347000      -1.20469366       2.28633483      -0.76054161
O        3.25845000       3.45675000       5.11841000       0.14100253      -1.09615865      -1.02895800
O        4.37342000       2.36933000      14.87760000      -0.05376441       1.39847761      -1.29177276
O        1.72052000       2.48899000      14.87527000      -2.46163795      -1.06062902      -1.47661407
O        2.96919000       0.04409000      14.82435000      -1.50264938       0.18334425      -1.23558082
O        1.14110000       4.30848000      24.07558000       0.37552485      -0.78457509       0.93947584
O       -1.49024000       4.13515000      24.26598000      -1.39271334      -0.09982282      -0.33431173
O       -0.18891000       1.79892000      24.11119000       0.25771769       1.87144185       1.57089773
O        5.77676000       0.13202000      21.74210000      -0.16945024       0.46186152      -2.41314170
O        2.87098000       1.47464000       2.52349000       1.56090026       1.25571852      -1.33693830
O        0.18443000       3.36528000      12.16733000       0.41109219       1.23524051       1.21715872
O       -2.76377000       4.98859000       7.27919000       0.54765886       0.32051728       0.35765258
O        2.99448000       1.70675000      16.99120000      -1.09774940      -1.52087110       0.99575494
O       -0.03200000       3.43715000      26.34327000      -1.82145424       0.92592112       0.95293252
O        2.95034000       5.04862000       0.42998000       0.23030703       0.24947460      -0.51956783
O        3.28485000       1.80574000      10.15981000      -1.95196684      -1.22700299      -1.07451717
O       -0.04411000       3.63220000      19.56461000      -0.90940713      -0.71209485       0.23231665
O       -0.02935000       1.44807000      16.99800000      -0.16628779       1.79765442      -0.53140525
O        1.60997000       4.41053000      16.95670000      -1.06114899      -3.15902315       1.59115063
O       -1.77769000       4.32403000      17.10187000       1.75374006      -0.45996752       0.51396571
O        2.84271000       3.29775000      26.55230000      -0.18161381       0.15523415       0.09026239
O        1.34897000       1.02081000      26.40325000       1.06831077      -0.51157227       0.43100856
O        4.08353000       0.85805000      26.21957000       0.77302931       0.37355008       2.72886332
O        0.22689000       5.06312000       7.37756000       0.36599454      -1.47993122      -0.19583648
O       -1.21903000       2.65049000       7.37889000       0.15056032      -0.36683002       0.01544601
O        1.37185000       2.48382000       7.33350000       0.47014757       0.84036743       0.01139144
Zn       5.79834000       0.14459000      27.22414000      -1.24460383      -0.69352007      -2.13931521
Zn       2.95263000       1.84912000       8.13682000       1.43615968      -0.95117320       0.88092546
Zn       0.00809000       3.30129000      17.63663000      -0.16342335       0.73496775      -0.27935584
Zn       2.94655000       5.09051000      23.55276000      -1.15187482       0.20600145       1.00161617
Zn       3.16345000       1.48803000       4.35077000      -0.27789770       0.45771616       1.38591568
Zn       0.07900000       3.35602000      14.09027000      -0.11650500      -0.35367324       0.77820348
Zn      -2.65428000       5.06857000      13.50770000      -0.74370718       0.09253018      -0.69697042
Zn       2.54746000       2.08263000      23.01144000       1.75067867      -1.21179484       0.32085039
Zn       0.06258000       3.30569000       3.50751000      -0.05073854      -0.09428752       0.05386701
Zn      -2.81526000       5.06735000       9.32768000       0.59642985      -0.10352124       0.14415463
Zn       2.80272000       1.81895000      18.99887000      -0.19460428       0.11144249      -0.13341755
Zn      -0.03805000       3.32275000      28.29643000      -0.44285539      -0.65036566      -0.18074929
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.92273493 magmom=72.2248371 free_energy=-550.93365971 stress="-0.0505182303244354 0.0009532887386893519 -0.004634535383678469 0.0009532887386893519 -0.027832462876492377 -0.0048275158303945215 -0.004634535383678469 -0.0048275158303945215 -0.036518471728032846" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40809000       0.72891000      15.92656000      -0.28014829       0.00407398      -0.91112801
Cr       4.38746000       0.83028000      15.94970000      -1.25487905      -1.46912049      -2.12645119
Cr       2.95853000       3.33420000      15.98927000      -0.37671201      -1.13766374      -1.53220503
Cr       4.27690000       2.62354000      25.40576000       0.99951404      -0.26298395      -0.65894988
Cr       1.30020000       2.59650000      25.31121000       0.82681887       1.55107747      -0.10729559
Cr       2.70552000       0.10636000      25.19927000       1.05355390      -0.12934216       0.95900808
Cr       1.76788000       4.13047000       6.38883000       1.05518113      -0.24427905      -3.58934642
Cr      -1.10527000       4.20757000       6.14096000      -1.51776519      -0.01038254      -0.50118695
Cr      -0.04637000       1.59582000       6.25790000       2.41392495       0.67545809      -0.75371979
Cr       5.83599000       0.04984000      18.32419000      -0.04534677       0.97527452      -1.86486892
Cr       2.73829000       1.62328000      27.58216000       2.29925705       0.81371010       1.94588494
Cr       0.24773000       3.43683000       8.70486000      -2.01991979      -1.75498993      -2.12579858
Cr      -2.85207000       4.94013000       3.82260000      -0.13417693       1.55066483       2.19038034
Cr       3.05549000       1.83433000      13.57796000      -0.53815593      -2.04844033       0.66844630
Cr      -0.28564000       3.49674000      22.87047000       1.44114744       0.76209934       0.74922723
Cr      -0.21809000       1.77888000      20.79272000       1.40220710       2.40906579      -3.94363860
Cr       1.27896000       4.55928000      20.76031000      -3.04157179      -2.20701314      -2.97178899
Cr      -1.66922000       4.44663000      20.58057000       1.65220731       0.53398494       1.92419025
Cr       2.93369000       3.34363000       1.43352000       1.25014943      -0.63710567      -0.05987440
Cr       1.45914000       0.79594000       1.37416000      -0.39365492      -0.69282917       1.27158588
Cr       4.41927000       0.75908000       1.45884000       0.42501650       1.04952573       0.08188426
Cr       0.22383000       5.00987000      11.15768000       2.02749873       1.84823630       1.55508949
Cr      -1.28791000       2.53960000      11.17869000      -0.01462834       0.23375904       0.71465136
Cr       1.78835000       2.38105000      11.26577000      -4.36485688       2.56419977      -0.83554049
O        1.25734000       1.01158000      19.52412000      -1.53834428      -0.38748308      -0.12436776
O        4.50698000       0.95186000      19.46057000      -0.50926238      -0.27967991       0.26607975
O        2.92964000       3.73080000      19.49185000      -2.43594560      -0.82164153       0.40605990
O        4.34340000       2.41806000       0.21677000      -1.56539295      -0.77092156       0.67017834
O        1.57074000       2.41002000       0.27551000       0.31918699       0.22925871       0.36956318
O        3.04269000       0.18389000       0.25162000      -1.33638503      -1.95329855      -0.43804549
O        1.53650000       4.03147000       9.83691000       2.26055126       1.37249310       2.26185311
O       -0.96845000       4.21512000      10.00892000      -2.82771973      -0.55593923      -1.14511327
O        0.11119000       1.81694000      10.08306000       0.93189947      -0.59141944      -1.01977701
O        1.80555000       0.76181000      12.35639000      -0.03298323       0.51874403      -0.44994093
O        4.43225000       1.04963000      12.50109000       0.68056430      -0.65493072      -1.72546932
O        2.97103000       3.40080000      12.47581000       1.20630278      -0.28052024      -1.48526001
O        4.30225000       2.69920000      21.69216000      -1.27823279       0.65109261       1.34566102
O        1.13340000       2.80606000      21.67754000       0.99996764       0.40230459       1.90007045
O        2.63975000       0.20161000      21.77164000       0.78598025      -1.08086791       1.10018363
O        1.69432000       4.19869000       2.67915000      -1.21805160       0.38907416      -1.07228908
O       -1.50397000       4.32831000       2.66694000       0.01550934      -0.75793574      -2.09918733
O       -0.03260000       1.56370000       2.58156000       0.18492000      -1.30309897      -0.27089929
O        1.45774000       0.67327000       5.11620000      -0.22669331       0.79157020      -1.20295316
O        4.63975000       0.65079000       5.11493000       0.59295653      -1.00703386      -0.23213398
O        3.16388000       3.35340000       5.01564000       0.18509662       0.48462356       0.60591455
O       -1.44568000       2.53173000      14.75907000      -2.09032064      -0.78619985       1.80026352
O        1.52670000       2.34782000      14.77500000       0.76880371       0.77058060       0.42022077
O        2.85039000       0.18116000      14.66996000       1.07993807      -0.70125565       1.16459946
O        1.10543000       4.33607000      24.14661000       0.54406026      -0.81766376      -0.25247701
O       -1.53459000       4.14301000      24.18722000      -0.18632518       0.57221580       0.49583739
O       -0.06964000       1.92085000      24.16673000      -1.21165299      -0.61651069      -0.46906463
O        5.70336000       0.10277000      21.59791000       1.21650127       0.07747729       3.26054665
O        2.80850000       1.62864000       2.37752000       2.02654843       0.21888399       1.06308845
O        0.24178000       3.35104000      12.14277000      -0.23613638      -0.23924235       0.35572669
O       -2.62949000       5.05355000       7.21789000      -0.36245111      -0.44492731       1.92463092
O        2.82973000       1.51215000      16.93922000       0.93756466       1.24654520       0.88088307
O       -0.03363000       3.49545000      26.39678000      -1.04672156       0.09666274      -1.12981737
O        3.00106000       4.99002000       0.38359000      -0.84918083       0.53142320       0.15820983
O        3.04870000       1.77583000      10.06217000       2.18143289      -1.52191395       0.23081959
O       -0.25235000       3.77471000      19.64227000       2.38189500      -1.90430780      -1.06388328
O       -0.14398000       1.56137000      16.94055000       1.62167085      -1.82860838       1.06487342
O        1.53296000       4.11133000      16.95110000       1.14773915       2.57109145       0.61460212
O       -1.66460000       4.13560000      17.15509000      -0.94654755       2.08160764      -0.56012157
O        2.88313000       3.26610000      26.55861000      -1.30774263       0.69561214      -1.18977381
O        1.34465000       0.95562000      26.35472000       0.53447652       0.08664803       0.01594159
O        4.14186000       0.97966000      26.39245000      -0.84462750      -0.48366360      -0.92717951
O        0.37833000       4.94612000       7.25545000      -1.96411771       0.83796926       2.44635759
O       -1.19310000       2.70487000       7.33658000      -0.53590256      -0.81272488       1.64402681
O        1.37424000       2.53061000       7.31313000       0.82158297      -0.76653918       1.41890061
Zn       5.65964000       0.17336000      27.13608000       0.25388457      -1.34931357       0.05253567
Zn       3.00933000       1.85437000       8.16518000       0.66675900      -0.58322499      -1.31990970
Zn      -0.01774000       3.30341000      17.50294000      -0.44363734       0.84818814       2.02491630
Zn       2.84409000       4.98392000      23.56134000      -1.19591919       1.63249284      -0.21021104
Zn       3.12412000       1.40336000       4.30426000      -1.07760104       1.09341227       0.46649609
Zn       0.04393000       3.39977000      14.06862000       0.95638581       0.73865965      -0.03340804
Zn      -2.63667000       5.09186000      13.53030000      -0.88210385       0.27455342      -0.18107535
Zn       2.60748000       2.06975000      23.06884000       0.36810620      -1.06329643      -1.63317403
Zn      -0.01037000       3.30393000       3.46671000       0.46014481       0.06392320       0.90620436
Zn      -2.71107000       5.06186000       9.39859000      -0.05722889       0.16243712      -0.50459881
Zn       2.86655000       1.91460000      19.09485000       0.05073684      -0.94145876      -0.95532474
Zn       0.03790000       3.26949000      28.30477000      -0.83859888       1.48909720       0.28165539
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.36387613 magmom=71.9962526 free_energy=-552.36387613 stress="-0.040474321325211046 0.013403566979573792 0.005096542424843752 0.013403566979573792 -0.0409953710079752 0.009462335127840109 0.005096542424843752 0.009462335127840109 -0.03875224708933664" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42942000       0.78644000      15.96732000       0.83466134      -0.02466151      -2.31488736
Cr       4.43698000       0.81566000      15.90604000      -0.98858924      -0.80583043       0.75156804
Cr       2.90220000       3.38068000      15.95097000      -1.60473329      -0.82856815       0.05107111
Cr       4.24485000       2.65263000      25.34555000       0.28159576       0.90234300      -1.95533851
Cr       1.31962000       2.58759000      25.19953000      -1.07973981       0.38705366       0.80524740
Cr       2.76128000       0.15739000      25.33676000      -0.32580251      -2.75898664      -3.45972226
Cr       1.72824000       4.14451000       6.39864000       0.39548936       0.41928106      -0.61419147
Cr      -1.14964000       4.20271000       6.06637000      -1.27851514      -0.61687806       2.48227880
Cr       0.02249000       1.63868000       6.25395000       1.88525354      -0.06023432       1.02986004
Cr       0.07019000       0.01811000      18.22148000      -3.32441830       0.12516447       3.13738842
Cr       2.82978000       1.62671000      27.52823000      -1.11378110       1.88864657       3.81586604
Cr       0.23339000       3.38382000       8.72570000       0.15054969       0.19568480       0.60409120
Cr      -2.85374000       4.94597000       3.89593000      -1.64553906       0.41923972      -2.56058272
Cr       3.15700000       1.72303000      13.65005000      -1.91330095      -0.58057749      -3.76076442
Cr      -0.23377000       3.57097000      22.89018000      -0.87141293       0.90754267       2.82834386
Cr      -0.25662000       1.82284000      20.72347000       0.25959395       1.33242308      -0.92383062
Cr       1.23355000       4.39449000      20.62603000       0.77201671       2.02833558       0.25161461
Cr      -1.68876000       4.54506000      20.62134000       1.70567967      -1.16029954       1.67454225
Cr       2.90745000       3.28755000       1.47753000      -0.55893836       2.69938755      -1.13017431
Cr       1.43154000       0.74526000       1.36574000       0.94283890      -0.32473301       0.98477390
Cr       4.44125000       0.91206000       1.49674000       1.55970916      -4.25356451       0.15288750
Cr       0.21135000       4.98767000      11.24293000       1.85243398       0.61085742      -1.84440880
Cr      -1.28924000       2.49751000      11.09539000       0.28514301       0.29733689       0.24211856
Cr       1.73166000       2.39976000      11.22046000      -0.16465855       1.25173315      -0.72303092
O        1.14673000       1.05214000      19.44404000       0.69232732      -0.38559027       0.85047030
O        4.43815000       0.92801000      19.48712000       0.55720003      -0.86366173      -0.36552383
O        2.77446000       3.72423000      19.59221000       0.21901822       0.60474888      -0.44994841
O        4.26910000       2.32318000       0.37816000       0.32676718       2.67083976      -3.11676464
O        1.61522000       2.33726000       0.22944000      -0.68081662       0.62675456       0.51411569
O        2.89573000       0.11260000       0.18954000       0.49835856      -0.49408044       0.13191680
O        1.71710000       4.12993000      10.02945000      -1.47299875      -0.78430478       0.24465077
O       -1.10909000       4.14861000       9.94340000       1.21783892      -0.91677456       1.10996962
O        0.28701000       1.89177000       9.95363000      -0.59238129      -1.19165527       0.62575862
O        1.86725000       0.71772000      12.34677000      -1.03006367       1.11954677       0.99905859
O        4.55104000       0.99741000      12.26691000      -0.06339011      -1.30191545       1.88870408
O        3.16631000       3.23661000      12.43232000       0.10682489       0.15137273      -0.51779333
O       -1.60858000       2.82830000      21.84548000      -1.08401324      -0.39909556      -1.26841413
O        1.04299000       2.90255000      21.74812000       2.14677565      -2.25674647       0.23874924
O        2.74200000       0.14108000      21.86447000      -0.15877267       0.05210963      -0.92526952
O        1.51428000       4.34684000       2.62899000       0.55766967      -0.77143037       0.24492218
O       -1.61835000       4.20108000       2.52404000       0.57176679       0.34660087       0.30615187
O        0.11472000       1.48333000       2.63871000      -0.56812563       0.12022858      -0.03721358
O        1.39691000       0.68279000       4.97481000       0.87891304       0.53368599       1.22281813
O        4.69736000       0.67416000       5.10686000      -0.72435954      -0.36828864       0.73716781
O        3.10704000       3.39633000       5.04111000       0.27071162      -0.30021518       1.10451351
O        4.19743000       2.55108000      14.96600000       3.63196764      -0.31840004      -0.91348508
O        1.47877000       2.30747000      14.75081000       0.82209407       1.33025791       0.30404332
O        2.90315000       0.19892000      14.77121000       0.82675923      -1.96133131       0.82574504
O        1.09711000       4.20584000      24.20808000       0.31464064       1.31781115      -0.10806561
O       -1.55581000       4.23395000      24.21119000      -0.14916448       1.00487636       0.30764253
O       -0.19031000       2.01533000      24.16768000      -0.57766936      -1.87343240      -0.49123308
O        5.73757000       0.14290000      21.76486000      -0.50568979       0.33449733      -1.85534831
O        3.13504000       1.75493000       2.45873000      -2.63086759      -1.42771364       1.45953688
O        0.25296000       3.32741000      12.16177000      -0.55576018      -0.84421480       0.63831575
O       -2.58449000       5.05856000       7.40746000      -1.14567454      -0.09358056      -1.62346406
O        2.84337000       1.53210000      16.99251000       1.20268268       1.34407304       0.40592059
O       -0.24274000       3.56208000      26.23110000       1.28843465      -0.86473702       2.32009709
O        2.89595000       5.03327000       0.44408000      -0.25937185       0.07752177      -1.32200371
O        3.12719000       1.49251000      10.10886000       0.38182444       1.28463259      -0.01838078
O       -0.13668000       3.58376000      19.58613000      -1.50718873      -0.42277921      -0.74859229
O        0.00255000       1.42228000      17.00554000      -0.79699508       2.37401133      -0.32857396
O        1.64388000       4.21680000      17.06027000      -1.19893246       1.14169354      -0.13632047
O       -1.67942000       4.29839000      17.04739000       1.13805465      -1.03727125      -0.35574143
O        2.71095000       3.34893000      26.33589000       0.25398217      -0.31734658       1.10345317
O        1.40463000       0.94764000      26.31130000      -1.09746986       0.85341865       1.35278135
O        4.11709000       1.01888000      26.37289000       0.73953786      -0.11324838      -1.12168090
O        0.21124000       4.84273000       7.47169000       0.34615917       1.27806992      -1.40873470
O       -1.16786000       2.62956000       7.48836000       0.35931736      -0.02631948      -1.14632507
O        1.48817000       2.53688000       7.48637000      -0.24423222      -0.03336512      -1.19468289
Zn       5.53412000       0.12189000      27.03756000       2.50194382      -1.56826962       1.19863346
Zn       3.10943000       1.82050000       8.14175000       0.31663602      -1.28675487       0.38252378
Zn      -0.06163000       3.34923000      17.46774000       0.54275023       0.01798821       1.53960826
Zn       2.67801000       4.95646000      23.57921000       0.72032078       1.40313712       0.76599687
Zn       3.03493000       1.37449000       4.28915000       0.47398145       0.95727824       1.09939378
Zn       0.04708000       3.47243000      14.05330000      -0.13759699      -0.29537061       0.42436683
Zn       0.28151000       0.01686000      13.54272000      -0.53345280      -0.17866293      -1.15676523
Zn       2.70018000       1.99395000      23.06570000       0.41188766      -0.77705190      -1.54225263
Zn      -0.06080000       3.30616000       3.48143000       0.60998144       0.08949273       0.30029753
Zn      -2.60864000       5.06780000       9.44177000      -1.21951687       1.03145315      -0.72747175
Zn       2.92382000       1.95657000      19.14010000      -0.83804413      -1.41084328      -0.95580454
Zn       0.06424000       3.28766000      28.32527000      -1.21011523       0.76765495      -0.33618986
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-550.42730128 magmom=71.9989565 free_energy=-550.42730923 stress="-0.031101769338712847 -0.005247459194481338 -0.0033476590036133924 -0.005247459194481338 -0.05347433969996425 0.007480629460199898 -0.0033476590036133924 0.007480629460199898 -0.03618313822420745" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46504000       0.84514000      15.93216000       1.27136943       0.51516105      -0.59033809
Cr       4.45367000       0.76473000      15.92327000       1.48421365       4.01875763       0.92239307
Cr       2.79582000       3.39889000      15.93322000       2.91973246       0.21742514       0.39078131
Cr       4.20025000       2.71907000      25.22924000      -0.34630301       0.36267768      -0.32355212
Cr       1.30178000       2.58616000      25.16800000      -2.43282686      -1.60218778       0.73627664
Cr       2.77931000       0.11377000      25.40527000      -1.89477975      -0.30942097      -0.82922014
Cr       1.71064000       4.17378000       6.35708000      -1.56625445       0.23060614       1.01871968
Cr      -1.26828000       4.16639000       6.13586000       0.56480307       0.25708948       2.29084205
Cr       0.20487000       1.67722000       6.30392000      -0.10562042      -1.15258085      -0.39164475
Cr       0.08142000       0.00824000      18.24480000      -1.62729328       1.48410967       0.65618692
Cr       2.87012000       1.70238000      27.57619000      -0.94338321       0.37532108       0.38055430
Cr       0.21534000       3.33295000       8.74924000       0.86978032       1.04140517      -0.32181117
Cr       2.96221000       4.97978000       3.86603000       0.22999967      -0.74032461       0.06749831
Cr       3.16744000       1.57641000      13.53464000       0.84111553       1.31800885       1.83698953
Cr      -0.21832000       3.66923000      23.03574000      -1.28010269      -3.08119836      -2.50688968
Cr      -0.27462000       1.93197000      20.57958000       0.17539627      -2.62116380       3.12232454
Cr       1.18212000       4.31091000      20.49702000       1.28006009       0.81701094       3.22176539
Cr      -1.63056000       4.59399000      20.71156000      -1.63890785      -1.52521835       0.17602446
Cr       2.85630000       3.36086000       1.44185000      -0.59392775      -0.90366361      -1.18402385
Cr       1.46009000       0.67779000       1.39004000       0.95936131       0.86506913      -0.73571272
Cr       4.52111000       0.88818000       1.52384000      -2.28906594       0.06719065      -1.94667518
Cr       0.29902000       5.00296000      11.26870000      -1.44023205      -0.91058905       0.07922584
Cr      -1.26136000       2.43329000      11.05928000       1.31867824      -2.14214703       2.32520274
Cr       1.64625000       2.49641000      11.15342000       3.05542731      -2.19722742       2.32487114
O        1.11967000       1.01920000      19.53087000       1.95236328       0.12254697      -0.29426864
O        4.48602000       0.76711000      19.46906000      -1.03577044       1.56462516      -1.04361960
O        2.65844000       3.74156000      19.57085000       2.76388872      -1.15118556      -1.07352657
O        4.18425000       2.54776000       0.14672000       0.28056104      -0.94770617       1.30887200
O        1.58664000       2.35524000       0.32451000      -0.54291238       0.24990646       0.05652146
O        2.81976000       0.03583000       0.16672000       1.26482587       1.90558201       0.47698053
O        1.66497000       4.11791000      10.27092000       0.35871082       0.85237896      -3.21926516
O       -1.08766000       3.94452000      10.02160000      -0.41719583       2.66661172      -1.01224336
O        0.35827000       1.80031000       9.92203000      -0.88618180      -0.18778870      -0.13429575
O        1.83174000       0.88722000      12.40244000      -0.80098624      -1.30985727      -0.92863426
O        4.61125000       0.76696000      12.30030000      -0.09903267       0.17237409       1.13678215
O        3.35411000       3.02622000      12.26445000      -2.10766683       1.45447292       0.93401850
O       -1.70659000       2.95625000      21.81089000       1.15921823      -0.70141444      -0.08879642
O        1.22254000       2.73040000      21.90619000      -1.23942684       0.78751169      -0.77605446
O        2.83339000       0.00145000      21.79858000       0.03537837       1.51976185      -0.09231849
O        1.48765000       4.36819000       2.58562000       0.48682653      -1.08148791       0.85780480
O       -1.66727000       4.17151000       2.41292000       1.22876799       0.02572234       2.31730788
O        0.13083000       1.33877000       2.64174000      -0.60557104       2.16888342       0.43345908
O        1.39189000       0.71122000       5.05098000       0.04465738      -0.64731075       0.25852210
O        4.72578000       0.62071000       5.24759000      -0.97997129       1.47063830      -1.11827127
O        3.10243000       3.47196000       5.24622000      -0.28684465      -1.39415162      -1.91485924
O        4.39993000       2.48362000      15.02544000      -0.53727068       0.23834583      -2.57485783
O        1.65484000       2.45808000      14.80067000      -0.58651726      -0.85548902      -1.55550896
O        0.12098000       5.07308000      15.02296000      -1.79326682       1.52037907      -1.79133276
O        1.06183000       4.24136000      24.27154000       0.15661891       0.43086584       0.38270232
O       -1.53653000       4.46579000      24.29438000      -1.08013300      -0.50724670      -0.69240254
O       -0.44307000       1.85793000      24.06778000       1.59396183       1.33505553       0.31163136
O        5.71858000       0.24022000      21.64969000      -0.69793231      -0.47238939       0.51644035
O        3.08097000       1.63113000       2.56017000      -1.18561215       0.63384442      -1.80755734
O        0.16585000       3.19326000      12.19853000       0.38681355       0.92628409      -0.03692979
O       -2.76227000       5.03732000       7.32771000       0.63927506       0.17940601       0.65093316
O        3.05642000       1.80003000      17.05845000      -1.18788652      -0.81554197      -0.40296634
O       -0.26070000       3.48464000      26.33799000       0.84513879      -0.20760736       0.01810766
O        2.77951000       5.10776000       0.34842000       1.13493751      -0.65871979       0.18587405
O        3.30716000       1.44280000      10.15567000      -1.70801929       1.11359822      -2.08144129
O       -0.20829000       3.37619000      19.45966000      -0.60525073       2.87469064      -0.31181624
O        0.06776000       1.60626000      17.01795000      -0.02577123      -1.40046113      -0.40823945
O        1.59125000       4.51091000      17.10251000      -0.24985592      -3.43958216       0.63655107
O       -1.61887000       4.32353000      16.88528000      -0.90223305       0.26892851       1.44134473
O        2.59498000       3.38220000      26.26325000       1.57302268      -1.18159934       1.36022298
O        1.30138000       1.06811000      26.44815000       1.33490103      -0.42810083      -0.10515472
O        4.23089000       1.04989000      26.14220000      -0.93755645       0.28005348       2.49355365
O        0.04396000       4.91001000       7.50372000       1.18538797      -0.10595982      -0.87060477
O       -1.03436000       2.56196000       7.43946000      -1.21640931       0.50363350      -0.11546952
O        1.54078000       2.57044000       7.47139000       0.56119533      -0.12945155      -0.12730492
Zn       2.58149000       5.10396000      26.99662000       1.47873883       0.73664037       0.49206108
Zn       3.22897000       1.72019000       8.12347000      -0.32534594      -0.82989394       0.37496913
Zn      -0.08309000       3.40085000      17.51383000       0.58661268       0.56343632       0.28358344
Zn       2.54769000       5.01594000      23.61726000       2.35124732       1.68999916      -1.64978452
Zn       2.96192000       1.39639000       4.35413000       1.43295518       0.80382857       1.62332579
Zn       0.04512000       3.52373000      14.06108000      -0.38804334      -2.13648240       0.39321903
Zn       0.21562000       0.04759000      13.51207000      -0.06634045      -0.11236531      -0.33179104
Zn       2.81254000       1.87422000      22.99103000      -0.26136616       0.17889818      -1.30130314
Zn      -0.08100000       3.31712000       3.52938000       0.33024938      -0.02274754       0.13614997
Zn       0.39181000       0.00011000       9.44455000      -0.55336018      -1.29225698      -0.36786060
Zn       2.94260000       1.92839000      19.13000000      -0.37959681      -0.92186024      -0.75668256
Zn       0.02777000       3.34071000      28.32587000      -0.28816679      -0.68435652      -0.81556492
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.93281579 magmom=72.0338313 free_energy=-552.93527622 stress="-0.03868115854733611 -0.0006976358196026424 -0.0002619767662009814 -0.0006976358196026424 -0.035086554016704324 -0.003331730254143027 -0.0002619767662009814 -0.003331730254143027 -0.029688066791443722" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54432000       0.91587000      15.89324000       0.05757670      -0.37770813      -0.37915060
Cr       4.54262000       0.89096000      16.01968000      -1.99857625       0.06994839      -2.08028218
Cr       2.83345000       3.45068000      15.96712000       1.46006534       0.54728822      -2.14216120
Cr       4.11420000       2.77115000      25.14409000       0.20535183      -1.45646044       1.31044414
Cr       1.17642000       2.50228000      25.22362000       0.56748502       1.14242965       0.27268623
Cr       2.68513000       0.09950000      25.50154000       0.80789352      -0.12738350      -1.11182307
Cr       1.61271000       4.21616000       6.35003000       0.12852194       0.03736230      -1.79141590
Cr      -1.36178000       4.13358000       6.32635000      -0.01508239       0.00364177      -1.36985211
Cr       0.36395000       1.66411000       6.34215000      -2.84803557      -0.02259380      -0.88212314
Cr       0.01166000       0.06277000      18.29966000       0.40500823       0.92234675      -1.19842824
Cr       2.85316000       1.76458000      27.60737000      -0.12647481       0.41555387       1.53755426
Cr       0.23793000       3.34151000       8.73744000       0.54758490       0.45895596      -0.47514151
Cr       2.89007000       4.98664000       3.83285000       1.61485476       0.23901421       2.12305748
Cr       3.19595000       1.51711000      13.48883000      -1.48859299       1.28987148       2.02974112
Cr      -0.26771000       3.61329000      23.03842000       1.02519404       0.31470799      -2.40639479
Cr      -0.27211000       1.92095000      20.56778000       0.72541131      -0.36268784       0.32759473
Cr       1.22007000       4.29543000      20.52719000       1.71702164       0.57073383       0.12113906
Cr      -1.67748000       4.56153000      20.76722000       0.51938396      -0.70556020      -2.26478031
Cr       2.79443000       3.38761000       1.34815000       1.53447739      -0.63668861       1.83625884
Cr       1.53161000       0.66408000       1.38441000      -2.23925256       0.79769922       0.86223996
Cr       4.47774000       0.83881000       1.45146000      -1.45993885       1.01666187      -0.06857545
Cr       0.32119000       4.97491000      11.25892000      -2.44524444      -0.46076184      -1.78063374
Cr      -1.19065000       2.29638000      11.14000000      -0.91729279       1.41045926      -0.13493882
Cr       1.72604000       2.48919000      11.18697000       0.29543316      -0.91188093      -1.16150411
O        1.35729000       1.02357000      19.61521000      -2.46715278      -0.23733013      -0.62557844
O        4.43140000       0.80270000      19.34924000       0.97876598      -0.13245505       0.85192054
O        2.96076000       3.67984000      19.43162000      -1.37615426       0.54662263       1.77823241
O        4.13356000       2.63469000       0.11910000       1.01493433      -0.76285797       0.98624645
O        1.46557000       2.42093000       0.39304000      -0.18186130      -0.19848745      -1.58152792
O        2.99635000       0.27673000       0.20666000       0.49903170      -2.34201910      -0.50108561
O        1.58286000       4.14788000      10.02412000       0.66342191      -0.20836176      -0.19178113
O       -1.04358000       4.05186000      10.03782000      -0.33592411      -0.17324184       0.12736457
O        0.27711000       1.77202000       9.95183000       0.19979062       0.32578570       0.00740481
O        1.72389000       0.86885000      12.33946000       0.53330413      -1.22796245      -0.31478655
O        4.54130000       0.57525000      12.50660000       0.02365185       1.02971225      -1.79660855
O        3.21840000       2.99704000      12.23844000       0.86609540       0.95839634       0.51968150
O       -1.54476000       2.93205000      21.73980000      -0.94440308      -1.57604379       0.86338159
O        1.14388000       2.71538000      21.88487000      -0.42209877       0.72506044      -0.66296901
O        2.88163000       0.04301000      21.71094000      -0.39950705       0.54123745       1.40608846
O        1.60845000       4.24456000       2.63672000      -1.35626221       0.58099695      -0.75312479
O       -1.58091000       4.21048000       2.64344000      -0.55813373       0.08648014      -1.02262707
O       -0.00721000       1.48365000       2.66806000       0.09517133      -0.31392912      -0.55254696
O        1.39103000       0.59186000       5.19602000       0.72219602      -0.04185570      -1.80264335
O        4.62039000       0.76383000       5.21430000       0.75656690      -0.42134591      -0.50477380
O        3.05119000       3.37872000       5.18353000      -0.28770139       0.46851954      -0.54602914
O        4.51875000       2.36328000      14.63760000      -0.84096171      -0.09333064       1.58873906
O        1.80948000       2.45786000      14.63989000      -1.10316609       0.18495532       0.34000287
O        3.01230000       0.08383000      14.99596000       0.90218938      -0.14248551      -1.32245302
O        0.99351000       4.30983000      24.35933000       1.16036720      -0.38457962      -0.98191283
O       -1.63847000       4.54808000      24.23933000      -0.14126895      -0.92278380      -0.10911879
O       -0.40199000       1.98235000      24.05264000       0.82337785      -0.33904150       0.52430012
O        5.60531000       0.22978000      21.51414000      -0.50071458      -0.67024714       2.25853305
O        2.81750000       1.62820000       2.29472000       2.10501793       0.45723126       2.67086549
O        0.17626000       3.21661000      12.17177000       0.62453131       0.59694586       0.42276372
O       -2.84190000       5.04911000       7.32650000       0.91979919       0.17028437       1.42524847
O        3.06405000       1.90629000      16.98322000      -0.51100534      -1.79727879       0.47295295
O       -0.12622000       3.39077000      26.35808000      -1.23354941       0.76060893      -0.43129492
O        2.87279000       5.06999000       0.32736000       0.19308495       0.15974130      -0.08166235
O        3.21425000       1.62278000       9.99379000      -0.04721871      -0.66368932       1.90606346
O       -0.36492000       3.58268000      19.47938000       1.35594975      -0.09025548       1.41204453
O        0.08686000       1.62620000      16.91845000       0.40047995       0.51333642       1.84470314
O        1.50168000       4.33247000      17.12709000       2.14508813       0.92670002      -0.45598382
O       -1.68426000       4.37416000      16.95757000       0.13075360       0.67085130       0.71729761
O        2.70964000       3.19868000      26.36591000      -0.89888707       1.79142765      -0.82660664
O        1.38627000       1.09990000      26.50906000      -1.04581570      -1.76804434      -0.09020625
O        4.20220000       1.13274000      26.27346000      -0.52256217      -0.98050275       0.43037737
O        0.11777000       4.91462000       7.35532000       0.00914322      -0.17690156       1.25809691
O       -1.03040000       2.59351000       7.36925000      -0.39049918      -0.91502753       1.56116786
O        1.62612000       2.61393000       7.41703000       0.32046966      -0.50053603       1.23522811
Zn       2.66445000       5.01016000      26.99350000       0.28497659       1.13188553       0.30448241
Zn       3.33083000       1.57852000       8.11432000      -0.37029149       0.44196129      -0.76763391
Zn      -0.07605000       3.47226000      17.57389000      -0.90721977      -0.45518821       0.10681354
Zn       5.48429000       0.04726000      23.59022000       0.18227608       0.50017563      -1.03127342
Zn       2.96093000       1.46136000       4.50427000       0.26740418       0.87214586      -0.51780925
Zn       0.03178000       3.47584000      14.08892000       0.91655755      -0.26279942       0.29074090
Zn       0.15695000       0.06764000      13.47513000       1.27518774      -0.60451598       0.69783316
Zn       2.90687000       1.76656000      22.86208000      -0.68883493       0.46872907      -0.61281754
Zn      -0.08203000       3.32628000       3.59797000       0.45768367      -0.26234963       0.51765177
Zn      -2.55008000       5.09130000       9.41130000      -0.67745540      -1.13275746      -0.55562010
Zn       2.93691000       1.84738000      19.06991000      -0.33448048       0.27861652      -1.35589617
Zn      -0.03006000       3.37062000      28.30234000      -0.35691152       0.43484771       0.29663384
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.32284524 magmom=72.0079485 free_energy=-551.32285198 stress="-0.04996309080457655 -0.0016765704574185733 0.001853491320149964 -0.0016765704574185733 -0.034645591184749365 -0.012591757892414256 0.001853491320149964 -0.012591757892414256 -0.042246442190751014" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60008000       0.95049000      15.85512000      -1.41678962      -0.70607392      -0.54090264
Cr       4.56495000       1.02020000      16.04601000      -0.66803530      -2.16620625      -2.22685885
Cr       2.97625000       3.54033000      15.93015000       0.87749333      -1.46732619      -2.46276161
Cr       4.03428000       2.72018000      25.14667000       1.32739045      -1.37479058       0.52571153
Cr       1.10621000       2.47566000      25.32476000       2.27610704       2.22864340      -0.11547800
Cr       2.65232000       0.11849000      25.57350000       1.63388411      -1.80194554      -4.23834171
Cr       1.53017000       4.24262000       6.25475000       1.81152162      -1.06530717      -0.62536913
Cr      -1.43323000       4.10008000       6.44615000       0.41746577      -0.20376334      -2.02397451
Cr       0.36907000       1.64529000       6.33423000      -1.61570849      -0.18239654      -0.20064301
Cr      -0.05446000       0.16472000      18.30118000       1.49775848      -1.02932374      -0.19430165
Cr       2.81292000       1.80286000      27.69024000       0.10459880      -0.64020155       0.10152558
Cr       0.28670000       3.36872000       8.70728000      -0.54031560      -1.22984812       0.76776774
Cr       2.90575000       5.00031000       3.88358000       0.75216934       0.57623588      -2.19485855
Cr       3.14176000       1.54783000      13.51974000      -1.49949560       0.82347366      -2.89310586
Cr      -0.26168000       3.57163000      22.90652000       0.32958497       1.86135184       2.40880600
Cr      -0.22821000       1.85917000      20.58575000      -0.13781154       0.94869852       0.96925502
Cr       1.34953000       4.33507000      20.57976000      -1.56083946       0.69468966       0.52907706
Cr      -1.71822000       4.49627000      20.69890000       2.11046224      -0.05577314       2.08476440
Cr       2.80275000       3.35272000       1.33149000       0.53673231       0.89937691       3.18113060
Cr       1.50671000       0.72301000       1.41024000      -1.28322476       0.57889276       1.40492964
Cr       4.36716000       0.85343000       1.38450000       2.34472999       0.07325659       2.34314500
Cr       0.21197000       4.92097000      11.15192000       0.67828442       1.03444259      -0.81913795
Cr      -1.16377000       2.25012000      11.22957000      -0.82854616       2.49886837      -0.56781402
Cr       1.82368000       2.41532000      11.18519000      -2.93072890       1.35190599      -0.76330635
O        1.20235000       0.99956000      19.56949000       0.50945364       0.21977803      -0.53704268
O        4.49661000       0.84615000      19.39314000      -1.22574944       0.44134805       0.30395150
O        2.98832000       3.70287000      19.53968000      -2.25326050      -1.05723569      -1.36587319
O        4.21792000       2.53514000       0.29868000      -0.25216374      -0.49882744      -0.92143018
O        1.40497000       2.43936000       0.26241000       1.02439186      -0.43185841       0.42879772
O        3.15339000       0.14780000       0.16623000      -2.73054936      -0.09265306      -0.39887194
O        1.59626000       4.16590000       9.75779000       0.75633650       0.32166335       2.53907195
O       -1.03776000       4.12179000      10.03376000      -0.93276058      -1.50645706      -0.97665166
O        0.23447000       1.85522000       9.98687000       0.92852267      -1.48110030      -0.27561823
O        1.73879000       0.67209000      12.19639000      -0.10311433       0.88572594       1.47647966
O        4.42471000       0.63447000      12.38513000       1.73625081       0.64426712       0.12080679
O        3.18756000       3.09645000      12.32590000       1.07064612       0.31456771       0.33539615
O       -1.51436000       2.68524000      21.75120000      -1.75127926       0.87937613      -0.56417689
O        0.96543000       2.85002000      21.69872000       2.67833623      -1.63035351       0.39645569
O        2.83262000       0.08283000      21.78615000      -0.77111769      -0.69260904      -1.00873181
O        1.58622000       4.26910000       2.57613000      -1.00274029       0.32119649       0.19115826
O       -1.62266000       4.30307000       2.70443000       0.38580508      -0.65914647      -1.22977477
O       -0.12647000       1.52915000       2.61252000       1.09984055      -0.30409846       0.23435725
O        1.44564000       0.46705000       5.11409000       0.23055686       1.11335141       0.74039522
O        4.68860000       0.80260000       5.11686000      -0.34717862      -0.06864520       1.55394866
O        2.94477000       3.42863000       5.05218000       0.31190587       0.31302563       1.66064233
O        4.50303000       2.26360000      14.57471000       0.66091300       1.99407728       2.46482827
O        1.76115000       2.44879000      14.57274000      -0.31666783       0.97128832       1.84855444
O        3.05996000       0.20331000      14.78913000       0.30372159      -2.60492565       2.00117138
O        1.06611000       4.28808000      24.28399000      -0.23209628       0.05279772      -0.12242006
O       -1.70836000       4.38999000      24.17845000       0.52905080       0.23550744       0.04358457
O       -0.24083000       2.09448000      24.13338000      -1.85946821      -2.18867736      -0.95457735
O        5.51136000       0.11350000      21.68458000       2.33124728       0.95314889      -1.16195593
O        2.87430000       1.68073000       2.41481000       0.20578077      -0.35485210       0.56101615
O        0.30759000       3.31831000      12.15440000      -0.48390370      -1.39962334       1.01760016
O       -2.74982000       5.09346000       7.47076000      -0.48652108       0.04440586      -1.76677592
O        2.97421000       1.74606000      16.89108000       0.84096552       1.13828972       1.33400429
O       -0.22105000       3.45270000      26.27604000      -1.37700401      -0.24454403       1.51277372
O       -2.90607000       5.04125000       0.38159000      -0.88405699       0.23237380      -0.73706021
O        3.12469000       1.66050000      10.12847000       2.19690397      -1.65478867      -1.20314354
O       -0.24495000       3.75982000      19.71837000       0.12507881      -1.96410543      -3.05237190
O        0.17742000       1.68816000      17.04287000      -0.81129774       0.79031012       0.06412959
O        1.72358000       4.25879000      17.06851000      -2.12314552       1.58713607       0.48457028
O       -1.70515000       4.54306000      17.09589000       1.93630416      -1.20726469      -0.82461565
O        2.67181000       3.23937000      26.34085000      -1.08548317      -0.09867257       0.54289593
O        1.27877000       0.91328000      26.53330000       0.51256459       1.59927438       0.37510703
O        4.08197000       1.06410000      26.46903000       0.74155315      -0.19700124      -1.08001843
O        0.16710000       4.82733000       7.39804000      -1.26054979       0.68207434       0.31069362
O       -1.06984000       2.53247000       7.52506000       0.45528595      -0.17793554      -0.65406145
O        1.67568000       2.59273000       7.48477000      -0.27977320      -0.25278816      -0.96172598
Zn       2.75972000       4.98457000      27.00675000      -1.30871503       0.82163709       0.99156368
Zn       3.40247000       1.46257000       8.08685000      -1.28444627       0.75737453       1.13256643
Zn      -0.09688000       3.53405000      17.64537000       0.29572935       0.39621428       0.81688908
Zn       5.49431000       0.21030000      23.52036000       0.19876275      -0.40803563       1.74889181
Zn       2.97805000       1.56567000       4.61730000      -0.00252657      -0.03729843      -1.40217901
Zn       0.05827000       3.40489000      14.12627000       0.77649503       0.55039763      -0.81032463
Zn       0.15650000       0.05682000      13.47284000       0.19894323      -0.65565198      -0.84809541
Zn       2.96266000       1.69467000      22.72582000      -0.76689271       1.03289405       1.25499147
Zn      -0.06121000       3.32274000       3.68836000       0.20475064      -0.05003250      -0.67960072
Zn      -2.57710000       5.01294000       9.35736000      -0.50002154       0.46006246       0.95643190
Zn       2.91069000       1.77537000      18.95224000      -0.77243003       0.56692018      -0.14306870
Zn      -0.10598000       3.42111000      28.28225000      -0.25787075      -0.04818213      -0.21281749
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.92830114 magmom=71.9991518 free_energy=-552.92830121 stress="-0.02299199911655583 -0.0031105388727439855 -0.001690939166648961 -0.0031105388727439855 -0.047348737720390034 0.006523146452343989 -0.001690939166648961 0.006523146452343989 -0.038508137423197135" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57529000       0.93965000      15.82056000       0.30677229       0.01123492       1.56388189
Cr       4.55813000       0.98165000      16.01186000      -0.12575849      -0.70458576      -0.70923286
Cr       3.14364000       3.57860000      15.79842000      -1.16658549      -0.30942823       1.87754490
Cr       4.01758000       2.58245000      25.20465000       0.31209197       0.23248377       0.33227541
Cr       1.14198000       2.56926000      25.41540000      -2.29635242       0.23437652      -2.44002209
Cr       2.70736000       0.07763000      25.45660000      -1.19776488      -0.92552164      -2.27588254
Cr       1.52713000       4.20534000       6.14256000      -1.66941383      -0.20804174       3.07397731
Cr      -1.46280000       4.05868000       6.43464000       1.20568254       0.31719808      -1.60020208
Cr       0.27170000       1.62590000       6.31484000       0.00632151       0.25698957      -0.69248507
Cr      -0.08667000       0.21865000      18.28313000       0.55218312      -1.51900889      -0.14521020
Cr       2.77922000       1.76096000      27.78730000       0.75051786      -1.00825477      -3.36175351
Cr       0.32418000       3.32244000       8.73073000       0.14616715      -1.70429108      -0.22768916
Cr       2.97403000       5.04823000       3.82036000      -0.43039643       0.19133184       0.16142011
Cr       3.01478000       1.61287000      13.45019000       2.21988330      -0.62474109       2.47854015
Cr      -0.21514000       3.60741000      22.88770000      -0.72817694      -2.44578462       1.35302090
Cr      -0.18342000       1.84319000      20.62948000       0.28400708       1.29875341      -0.45944106
Cr       1.39483000       4.41479000      20.63726000      -2.22118322      -0.82133941      -0.39538428
Cr      -1.65846000       4.41270000      20.64777000      -0.40682432      -1.39318849      -2.41818672
Cr       2.84506000       3.33572000       1.44445000       0.26576289       1.22285733       1.20745297
Cr       1.40770000       0.82052000       1.47619000       0.74952327      -0.33525285      -0.38612898
Cr       4.36179000       0.86424000       1.43635000       0.36765773      -2.00726355       0.73956998
Cr       0.13414000       4.90562000      11.02144000       2.10141364       0.22623691       2.49130121
Cr      -1.17674000       2.35778000      11.26796000       0.55910900       1.15519664      -1.95458294
Cr       1.78175000       2.40002000      11.12577000       0.46111193       0.74436737       0.05413138
O        1.13034000       0.98077000      19.49710000       1.65258345      -0.51579704       0.65146667
O        4.39909000       0.93331000      19.50892000       0.49467837      -0.51762722      -0.59851079
O        2.67760000       3.60907000      19.50542000       1.78912196       1.03938741      -0.91384771
O        4.26006000       2.37365000       0.33724000      -0.89097239       1.55894549      -0.56678653
O        1.46994000       2.43998000       0.30024000      -0.85423285       0.87616257       1.34368964
O        2.87313000       0.11008000       0.17146000       0.11825713       1.36915178       1.93297756
O        1.63687000       4.14811000       9.95426000      -0.24336515      -1.07014588       0.11723631
O       -1.10787000       3.91172000       9.90026000      -0.26492035       0.49807914       0.52642799
O        0.34984000       1.73477000       9.99762000      -0.09502240      -0.25523877      -0.31061227
O        1.82699000       0.68786000      12.24085000      -0.91432450       0.75626355      -0.06895812
O        4.52072000       0.82627000      12.24631000      -0.34252789      -1.96935402       2.09532867
O        3.31785000       3.18206000      12.41225000      -1.03410144       0.24181407      -1.09544465
O        4.22229000       2.65954000      21.64716000       1.54095509       1.12971874       0.40476054
O        1.16674000       2.77601000      21.63947000       0.29484264      -0.11672759       1.97829947
O       -0.28773000       5.07475000      21.71359000       1.87330859       1.46458433       0.53022094
O        1.46107000       4.37221000       2.54463000       0.61307765      -1.24999037       1.30824880
O       -1.68311000       4.31829000       2.53514000       0.75193450      -1.22084900       0.88022792
O       -0.04614000       1.44616000       2.58510000       0.05920890       1.46595421       0.98084527
O        1.48955000       0.53830000       5.15507000       0.08589199       0.31460768      -0.22583442
O        4.75691000       0.76770000       5.27220000      -1.56883465       0.95661334      -1.50561409
O        2.93688000       3.57855000       5.19052000       1.93359699      -1.97306401      -1.52249579
O       -1.41885000       2.51051000      14.92437000      -0.40132796       0.57582124      -2.17711910
O        1.74445000       2.56584000      14.82801000       0.76641542      -0.20263758      -1.77250100
O        3.16203000       0.03483000      14.84023000      -0.75981081       1.97219152      -0.43986486
O        1.06663000       4.24016000      24.18346000       0.44493361       0.43615623       0.77959019
O       -1.63162000       4.21452000      24.17197000      -0.53283340       1.35967886      -0.17018120
O       -0.33036000       1.96391000      24.16724000       0.51831309       2.19893060       0.77835878
O        5.81025000       0.14964000      21.62112000      -1.02079872       0.25000690       1.05832149
O        3.02105000       1.69268000       2.63123000      -1.29038403       0.06876852      -0.71408693
O        0.34852000       3.22823000      12.19025000      -0.47976053       0.28398063      -0.28869709
O        0.20692000       0.01206000       7.30566000      -1.26451768      -1.05828839       1.64429674
O        3.02274000       1.73822000      16.91799000       0.10462605       0.89546763      -0.53743812
O       -0.54536000       3.48972000      26.37268000       1.37716699      -0.51599894      -0.23873813
O        2.94482000       5.04552000       0.40709000      -0.65216716       0.01595117      -0.07621621
O        3.33228000       1.46754000      10.15597000      -1.20620204       1.29051561      -1.63455762
O       -0.08870000       3.59052000      19.56210000      -0.91517338       0.04305182       2.08634858
O        0.17389000       1.82995000      17.14582000      -0.56504263      -1.89138760      -1.70027803
O        1.72253000       4.47146000      16.98362000      -0.15349451      -0.81996374      -0.14375324
O       -1.48517000       4.55765000      17.03337000      -2.21411153       0.18772766      -0.57402978
O        2.50500000       3.28036000      26.37452000       2.33336109      -0.02861253       1.49181650
O        1.31096000       1.01769000      26.54027000       0.73223569      -0.32029329       0.08304922
O        4.08560000       0.95571000      26.43317000       0.05231471       0.54541510       0.35643193
O        0.01784000       4.77785000       7.46570000       1.00570031       0.43000802      -0.63829290
O       -0.99918000       2.45953000       7.54977000      -1.17788787       0.17513108      -0.51464927
O        1.59750000       2.55502000       7.36235000       0.89371756       0.33843097       0.16404215
Zn       2.78374000       5.00537000      27.06619000      -0.44294986       1.08416496       0.15434525
Zn       3.40842000       1.39350000       8.11120000      -0.87135597       0.94040159       0.69667173
Zn      -0.09929000       3.60997000      17.75440000       1.75237534      -0.14949622      -1.13319681
Zn       5.51222000       0.33103000      23.52203000       0.64125570      -3.56857764      -0.26538908
Zn       2.99416000       1.67135000       4.65689000       0.48957286      -0.34261705      -0.80079950
Zn       0.12436000       3.36211000      14.13385000      -0.01027301       0.13622567      -0.09739854
Zn       0.17532000       0.00992000      13.45454000      -0.13701762      -0.22414940      -0.46955069
Zn       2.96669000       1.67307000      22.65945000      -1.62969312       0.57715298       0.73184665
Zn      -0.02519000       3.31636000       3.75606000       0.19426665       0.25340888      -0.77535075
Zn      -2.63135000       4.95898000       9.33681000      -0.10586095       0.60433128      -0.04844053
Zn       2.84248000       1.74121000      18.82203000      -1.00037243       0.78323549       0.64556097
Zn      -0.19578000       3.44781000      28.24949000       0.47987525      -0.99094469       0.33130907
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.12550371 magmom=72.0011257 free_energy=-552.12550371 stress="-0.025212842757516788 -0.003255334737936528 0.0034004965677751574 -0.003255334737936528 -0.04979075170262278 0.011052033777124007 0.0034004965677751574 0.011052033777124007 -0.04424830398199255" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55564000       0.94344000      15.86806000       1.35019385       1.94711045      -1.08293180
Cr       4.56400000       0.90912000      15.97269000      -1.37346031       2.20347221      -3.44648457
Cr       3.19550000       3.62654000      15.79211000      -2.80025973      -1.16283481       0.18218194
Cr       4.01095000       2.46827000      25.30624000      -0.37594123       2.54884127      -0.83809347
Cr       1.10805000       2.69399000      25.41903000       1.16975325      -0.57654998       0.80144607
Cr       2.70243000       0.01291000      25.24505000      -1.55157999       1.63858364       1.21866764
Cr       1.47192000       4.14466000       6.17138000       1.35406242       1.01470925      -0.03524707
Cr      -1.41200000       4.04735000       6.33174000       0.44855195       1.65617298       0.02170488
Cr       0.16894000       1.61417000       6.26767000       0.10038381      -0.77973325      -0.30012500
Cr      -0.11398000       0.20449000      18.25043000       0.76230512      -0.78097530       0.10661658
Cr       2.78268000       1.67222000      27.76556000      -0.27262662       1.31280930       0.62098235
Cr       0.35467000       3.17433000       8.73087000      -0.86636001       0.03373651      -1.54331974
Cr      -2.87176000       5.10026000       3.76102000      -0.29360133      -1.03791274       3.69344431
Cr       3.02235000       1.65771000      13.49315000       2.92939793       0.56770837       0.80163663
Cr      -0.20651000       3.53633000      22.95609000      -0.33477574      -0.07398089      -0.85914907
Cr      -0.10961000       1.87273000      20.63949000       1.25374603      -2.46256242       1.26213185
Cr       1.34060000       4.44289000      20.65164000       1.13452358      -1.05009618       0.51644320
Cr      -1.61554000       4.29444000      20.47189000      -1.07394656       1.56853228       1.49004128
Cr       2.89501000       3.35745000       1.58393000      -1.18501849      -0.31725233      -1.08471782
Cr       1.34484000       0.90852000       1.51656000      -0.51522074       0.01303763       1.48691925
Cr       4.36224000       0.78864000       1.53549000      -1.62788361       1.17577277       0.61928548
Cr       0.18082000       4.93189000      11.03861000       0.61154797       0.68954154       2.30774373
Cr      -1.18455000       2.49114000      11.21249000      -0.99022115      -3.79621562      -0.19853516
Cr       1.74419000       2.41957000      11.08729000       1.87741240      -1.60745568       2.09693569
O        1.33345000       0.86456000      19.53179000      -1.67252682       0.27780822      -0.90523325
O        4.38172000       0.93615000      19.52008000       0.54739027       0.16409738      -0.67880089
O        2.63730000       3.69702000      19.34210000       1.30295976      -0.18636717       0.59440995
O        4.14704000       2.43535000       0.30740000       0.14632591      -0.39024694       0.70659771
O        1.38177000       2.59147000       0.54275000       0.08474378      -0.19968297      -1.85743500
O        2.67064000       0.29245000       0.48202000       3.08021018      -2.94475216      -2.57905592
O        1.60011000       3.96996000      10.16061000       0.40986555       2.24109804      -3.37886847
O       -1.15250000       3.78735000       9.85176000       0.72534320       2.31856492       0.18322442
O        0.45003000       1.60898000       9.96651000      -1.27132359       0.41909081      -0.48911686
O        1.81430000       0.88011000      12.26631000      -0.46611304      -1.66764621      -0.26386444
O        4.53976000       0.81261000      12.41263000      -0.78156249      -0.02885447      -0.59559246
O        3.27559000       3.21433000      12.28711000      -0.84285429       0.25601357      -0.11977346
O       -1.51852000       2.82483000      21.62667000      -0.16224343      -2.04726214       1.60185934
O        1.36844000       2.70972000      21.90250000      -1.67109300       0.97022352      -1.03651325
O       -0.17234000       5.05310000      21.69029000       0.31233109       0.25566714       0.43024758
O        1.52121000       4.31252000       2.72431000       0.38248597       0.05265363       0.25225896
O       -1.64039000       4.20975000       2.52583000       1.35093164       1.11402694       1.45752047
O        0.01168000       1.54516000       2.70721000      -1.46127785       0.89306029       0.01402492
O        1.48168000       0.66217000       5.19363000      -0.20646696      -0.58482868      -0.85683675
O        4.58294000       0.82056000       5.23450000       1.00757815      -1.23067444      -0.69062532
O        3.13972000       3.50056000       5.15451000      -1.68559426       1.34825160      -0.91442690
O       -1.41883000       2.71942000      14.84290000       0.44548669      -2.08793633      -1.12751063
O        1.88250000       2.60259000      14.80330000      -1.55884520      -0.15593242      -1.28793529
O        3.10712000       0.21671000      14.85666000      -0.47000405      -0.84723389      -0.84269218
O        1.08876000       4.24299000      24.21839000       1.18918817       0.38950892      -0.30631702
O       -1.62645000       4.24938000      24.14728000      -1.13196743       0.47086508      -0.11780939
O       -0.34181000       2.11257000      24.27358000       0.85544742      -2.43809375      -1.19075428
O        0.03899000       0.21394000      21.59339000      -1.84573775      -1.08000418       0.67307221
O        2.94081000       1.69338000       2.61685000      -0.46767356      -0.30467166       0.02080390
O        0.28597000       3.18101000      12.15201000       0.17606492       1.47236063       0.74074610
O        2.97595000       4.98626000       7.31397000       0.28299543      -0.08889955       0.36422713
O        3.12363000       1.88570000      16.83530000      -0.60250969      -0.28819532       0.99710169
O       -0.59816000       3.45583000      26.35815000       2.21858593       0.48024677       0.17662971
O        2.78334000       5.06180000       0.47733000       0.79972976       0.22574523      -0.41908287
O        3.37433000       1.44006000       9.99027000      -0.96257852       0.77821227       1.92351634
O       -0.10470000       3.42014000      19.68973000       0.70474030       2.25610042      -2.67163388
O        0.08488000       1.66603000      16.94294000       0.53486702       1.50498453       1.48252451
O        1.64360000       4.44658000      16.93267000      -0.12570501      -1.15489469       1.19912673
O       -1.59062000       4.54538000      16.91938000       1.27013969      -0.43437485       3.26082577
O        2.66059000       3.23343000      26.56597000      -0.28760493       0.56990476      -1.01473028
O        1.51002000       1.10913000      26.46086000      -2.48659133      -2.07234465      -0.37687261
O        4.08939000       0.90648000      26.38085000       0.02525987      -0.86387170       0.84184616
O        0.04530000       4.73725000       7.41781000       0.84453884       0.19150363       0.65051616
O       -1.06857000       2.47072000       7.44925000      -0.67846050      -0.02134990       0.74506821
O        1.58666000       2.56946000       7.24826000       0.29722739      -1.04045855       1.39509480
Zn       2.76950000       5.07726000      27.14483000       0.41084851       0.61875579      -0.08016609
Zn       3.36213000       1.37467000       8.16287000      -0.50491781       0.63647470      -1.72331187
Zn      -0.02000000       3.68293000      17.80231000       0.41935007      -0.68756963      -1.51850354
Zn       5.56574000       0.29788000      23.54067000       0.81893199      -1.09615749       0.00433448
Zn       3.03156000       1.75152000       4.64836000      -0.59275153      -1.54600112      -1.13567317
Zn       0.19714000       3.33785000      14.13276000       0.52756448       0.90271469      -0.13258529
Zn      -2.76111000       5.05977000      13.41763000      -0.09326861       0.14836918      -0.58676131
Zn       2.89109000       1.69155000      22.64750000      -0.38017254       0.55924990       0.44792654
Zn       0.02197000       3.32301000       3.79553000      -0.04489528       0.22431302      -0.38182554
Zn      -2.69463000       4.93173000       9.31575000      -0.22610840      -0.49307686      -0.27190503
Zn       2.73216000       1.75235000      18.71823000       1.00614723       1.12648680       0.09920808
Zn      -0.25958000       3.42068000      28.24076000       0.77258582       0.39057034       1.45192417
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.84754228 magmom=72.0042336 free_energy=-551.84902191 stress="-0.04190943102544616 -0.001148403937564185 0.004474623244983004 -0.001148403937564185 -0.02322681361522961 -0.010207487656282247 0.004474623244983004 -0.010207487656282247 -0.036835150378446965" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59535000       1.03579000      15.89843000      -0.53643873      -0.47000880      -0.26266725
Cr       4.52852000       0.93597000      15.82984000       0.44979096       0.07846897      -0.24111959
Cr       3.07770000       3.64695000      15.84753000       0.77073015      -1.12389219      -1.00570676
Cr       3.99977000       2.47999000      25.39788000       2.87014422       0.85916170      -2.13459771
Cr       1.14194000       2.76750000      25.45023000       2.61011177      -2.83010862      -0.55935219
Cr       2.61380000       0.04522000      25.11079000       0.65297372       1.47222164       2.61066144
Cr       1.48884000       4.11579000       6.22774000       1.89862845      -0.72462189      -1.44735544
Cr      -1.32944000       4.12475000       6.22827000      -0.79745078       0.39335496       0.83446211
Cr       0.07641000       1.57191000       6.21321000      -0.03274904      -0.33202401       0.83027804
Cr       5.78264000       0.16455000      18.21146000       0.25462662       0.54805878      -0.19514503
Cr       2.76692000       1.65250000      27.75471000      -0.81782617      -0.72335667       1.04396659
Cr       0.32550000       3.03598000       8.64980000      -1.46770354       3.16134571       0.35709046
Cr      -2.83329000       5.10878000       3.89567000      -0.45030108       1.18833253      -1.03288055
Cr       3.19239000       1.72841000      13.55020000      -2.31690878      -0.22260301      -4.04661673
Cr      -0.21626000       3.46101000      22.99974000       0.54359205       1.99639488       1.18743465
Cr       0.02836000       1.78496000      20.66867000      -1.32609666       0.50515352       0.24879201
Cr       1.35313000       4.41432000      20.66088000       0.64016978      -0.19950958      -0.43835992
Cr      -1.64261000       4.24881000      20.35729000       2.14908841       0.10960054       5.16336170
Cr       2.89245000       3.37010000       1.65421000      -0.13003947       1.46321642      -0.62041729
Cr       1.29859000       0.98640000       1.57508000      -0.51510691      -1.85862779      -0.25055336
Cr       4.26849000       0.76521000       1.65506000       0.19674328       0.43009081      -0.00484989
Cr       0.28040000       4.99741000      11.18951000      -0.96066441      -0.75229490      -1.54188400
Cr      -1.24403000       2.44485000      11.13770000       1.20291963       0.23784947      -0.58773570
Cr       1.77703000       2.38942000      11.13984000      -2.91225508       0.94279924      -1.58367286
O        1.27431000       0.81342000      19.43545000       0.08475761       1.14251886      -0.16433317
O        4.48704000       0.93241000      19.43364000      -0.73813387       0.33343165       0.02091362
O        2.84194000       3.71789000      19.31820000      -1.62386750      -1.79022281       0.16299400
O        4.04234000       2.44428000       0.41017000       0.99614972      -0.73613367      -0.64966913
O        1.34240000       2.65341000       0.51808000       1.08438785      -1.36063945      -0.94372100
O        2.88751000       0.02390000       0.47948000      -1.27712416       1.90060361      -0.66353581
O        1.56522000       4.02340000       9.86458000      -0.22276572      -0.59971421       1.17743062
O       -1.00924000       4.02299000       9.92339000      -0.51544639      -0.36706228       0.09264059
O        0.34219000       1.63110000       9.88736000      -0.64813438      -0.65262245       1.55625772
O        1.78347000       0.83352000      12.26880000       0.09791976      -0.66545783       1.26382277
O        4.40420000       0.78255000      12.47245000       2.17529132      -0.03721667      -0.93979492
O        3.12958000       3.21863000      12.11496000       1.48227929       0.86519070       2.23206585
O       -1.33781000       2.67869000      21.78545000      -2.37439802      -0.61181706      -2.20159694
O        1.23065000       2.81888000      21.96657000       1.29824532      -1.31384176      -2.07522417
O        0.02194000       5.05543000      21.77945000      -2.24829936       0.63892263       0.06100542
O        1.70755000       4.27704000       2.90884000      -2.00420945      -0.03105607      -1.40153705
O       -1.49068000       4.29898000       2.75621000      -0.48858525       0.25367054      -1.03846659
O       -0.17267000       1.67849000       2.81823000       0.53598304      -1.01051136      -1.00566528
O        1.40702000       0.68448000       5.11443000       1.77367896       0.72161491       0.96237252
O        4.58981000       0.65047000       5.07652000      -0.62196724       0.82018191       1.30403914
O        3.10286000       3.63312000       4.99103000      -0.16280220      -2.65060958       2.21795915
O       -1.37657000       2.48821000      14.55833000       0.78844210       1.38838512       2.77242654
O        1.83935000       2.58967000      14.58651000       0.70990159       0.09664719       2.43995954
O        2.97684000       0.30133000      14.76426000       0.76192000      -2.39462870       0.93270364
O        1.21785000       4.29487000      24.26209000      -1.16826087      -0.28177661      -0.44304725
O       -1.72319000       4.32759000      24.12401000       1.13133241      -2.18571618       0.04753726
O       -0.22284000       1.96792000      24.24553000      -0.69734577       0.32030305       0.38638783
O        5.70950000       0.10422000      21.62854000       1.89356972      -0.05202067      -0.58028168
O        2.75592000       1.66975000       2.53757000       1.12768884       0.23629632       2.01367074
O        0.22961000       3.34871000      12.13826000       0.20604671      -1.16212145       0.69893964
O        2.86349000       4.83567000       7.33902000       1.97424196       1.39384810      -0.75734495
O        3.13028000       1.96168000      16.80507000      -0.30038092      -0.98464805       0.07989384
O       -0.28646000       3.49670000      26.30586000      -1.99216089       0.36438296       1.19736756
O        5.71649000       0.02622000       0.57432000       0.81364547      -0.07674582      -0.09583686
O        3.20579000       1.56975000      10.14438000       0.63409370      -0.35527569      -1.17902979
O       -0.02793000       3.54556000      19.59587000      -0.11744199      -1.10797029       0.18617667
O        0.08107000       1.71977000      16.90362000      -0.36046385       0.17484163       0.55631208
O        1.62711000       4.24311000      17.00251000       1.34167802       2.31539910      -1.68918793
O       -1.58626000       4.48380000      17.20053000       0.02522010       0.71382480      -2.27675277
O        2.79878000       3.25574000      26.60030000      -1.68666641       0.17792976       0.09615937
O        1.32924000       0.88198000      26.35319000       0.56005913       1.57673605       0.57061527
O        4.04641000       0.78559000      26.43602000      -0.67502730       1.20154879      -0.00550604
O        0.20958000       4.68637000       7.43277000      -1.75639837       0.70651043       0.49140690
O       -1.21492000       2.51166000       7.39965000       0.38591846      -0.44602951      -0.14540638
O        1.56920000       2.43296000       7.31905000       0.08616592      -1.02938788      -0.52161993
Zn       5.72561000       0.07443000      27.21542000      -0.34421568      -0.41246391       0.29243736
Zn       3.28280000       1.39240000       8.15064000      -0.70706514       0.38310919      -0.06270993
Zn       0.07605000       3.71319000      17.76319000      -1.30568688      -1.46611135      -0.68265451
Zn       5.65690000       0.19293000      23.55690000      -0.56099425       0.06902014      -0.03920470
Zn       3.04333000       1.75952000       4.58508000      -0.28987166      -0.66420929      -0.62521039
Zn       0.29309000       3.36640000      14.11932000      -1.85336822       1.55657797      -1.22550027
Zn      -2.75245000       5.00731000      13.35766000       0.07377368       0.40447124      -0.97055124
Zn       2.78978000       1.74110000      22.66888000       0.36357272       0.12582586       0.70713101
Zn       0.06969000       3.34790000       3.82798000      -0.21365117       0.51698561      -0.29979686
Zn      -2.76449000       4.88320000       9.28371000       1.09113187      -0.09245417       0.10150929
Zn       2.66487000       1.82176000      18.63333000       1.38312273       0.24932386       1.30623547
Zn      -0.28354000       3.41294000      28.30050000       0.09853651      -0.25863888       0.43168141
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.90069541 magmom=72.0012968 free_energy=-552.90069541 stress="-0.03134527818470087 -0.002244004533161142 0.00273368208170024 -0.002244004533161142 -0.023959827606791655 -0.0133925895568779 0.00273368208170024 -0.0133925895568779 -0.039813516101707434" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59318000       1.08535000      15.92371000      -1.02101487      -2.45460970      -0.72398485
Cr       4.54013000       0.94112000      15.72995000       0.70042180      -0.83454089       1.22534613
Cr       3.01662000       3.60992000      15.85549000       4.16177173      -0.70686462      -1.47679030
Cr       4.12277000       2.54450000      25.42736000       1.37948751       0.39203218      -0.45277526
Cr       1.30195000       2.68104000      25.47907000      -2.48916506       0.25578158      -2.05784596
Cr       2.55054000       0.17154000      25.15128000       2.00697546      -1.72571635       1.16611606
Cr       1.59922000       4.05163000       6.24141000      -0.97055433      -0.87267149       0.94403346
Cr      -1.28178000       4.22038000       6.19121000      -0.21717375      -1.73261026       0.73200855
Cr       0.00016000       1.52208000       6.21463000       1.30387424       0.89077558       0.52851868
Cr       5.80095000       0.15079000      18.14803000       0.60732864       0.83093618       1.94685659
Cr       2.71219000       1.61737000      27.78758000       0.34200416       0.51865390      -0.76137868
Cr       0.20920000       3.07172000       8.60576000      -1.00171748       1.38337513       0.82732169
Cr       0.12453000       0.03568000       3.98927000      -1.28626395      -0.77494678      -0.93324412
Cr       3.25643000       1.77186000      13.41681000      -1.18167489      -1.67222723       2.67839344
Cr      -0.20108000       3.46675000      23.04042000       0.67325071      -1.36750101      -2.56586499
Cr       0.07291000       1.69107000      20.68532000      -3.25943335       1.45739707      -1.89856123
Cr       1.39098000       4.38255000      20.62148000      -0.89353067       0.56481347      -0.66819546
Cr      -1.58710000       4.22777000      20.49109000       1.08497962      -0.13466337       1.34677020
Cr       2.87588000       3.43860000       1.66138000       0.73604290      -0.69590294      -1.09423792
Cr       1.25888000       0.98001000       1.60488000       1.68880119      -0.61709607       0.38010937
Cr       4.17004000       0.77356000       1.74826000       1.32908452       0.34293026      -1.91383456
Cr       0.31308000       5.01681000      11.26621000      -1.42510418      -0.80995073      -2.55492064
Cr      -1.24813000       2.40906000      11.04937000       0.05800634       2.28957523       1.46356153
Cr       1.67289000       2.40197000      11.15323000      -0.55217578       0.21699237      -0.32283394
O        1.19837000       0.92453000      19.35305000       1.22619134      -1.31645898       0.62440804
O        4.48687000       0.94437000      19.37085000      -0.24791001      -0.83573848       0.29837870
O        2.84011000       3.51359000      19.42426000      -0.24075759       2.85734261       0.07394783
O        4.08450000       2.31870000       0.43736000       0.41558555       1.00935089       0.26489583
O        1.49833000       2.46170000       0.36356000      -1.32665250       1.25666635       1.26461389
O        2.93813000       0.09869000       0.36172000      -1.51483382      -0.32451610       1.07722205
O        1.47135000       3.98590000       9.71737000       1.25499897      -0.21934007       1.94485143
O       -0.95788000       4.17614000       9.99588000      -1.87204966      -1.27456023      -1.02442381
O        0.11774000       1.64619000      10.01447000       1.41696873      -0.83696926      -1.12993068
O        1.85028000       0.72254000      12.39740000       0.21143152       1.40268060      -0.84027985
O        4.57499000       0.82459000      12.31102000       0.52806185       0.51092400      -0.00195688
O        3.18956000       3.25023000      12.22710000      -0.29849845       0.02824267      -0.87099433
O        4.43308000       2.49744000      21.67751000       0.06523561       1.49061313       0.71568024
O        1.20197000       2.76858000      21.71206000       1.50815268      -0.17619387       2.12214180
O       -0.13967000       5.07126000      21.85404000      -0.38260029      -0.46225945      -0.82316772
O        1.63029000       4.31034000       2.83675000      -0.82678082      -0.34675510       0.67024167
O       -1.52016000       4.46728000       2.81244000      -0.06709092      -1.27376322      -1.10695270
O       -0.23742000       1.56666000       2.74230000       0.91780305       1.01112389       1.13225709
O        1.53204000       0.75953000       5.18927000      -0.90569120      -0.37399799      -0.45271813
O        4.56764000       0.57381000       5.17794000      -0.82383584       0.87510390      -0.17508044
O        3.04195000       3.48485000       5.15901000       1.29941922       0.35126284      -0.82632390
O       -1.35659000       2.46284000      14.73032000      -0.07666538       2.57389986      -1.70006745
O        1.91322000       2.56297000      14.75172000      -1.33841145       0.23248912      -2.15417569
O        2.99722000       0.07170000      14.79408000       0.41189177       1.92669704      -0.15012145
O        1.11278000       4.26457000      24.26006000       0.55939597       0.56459437      -0.05787586
O       -1.58949000       4.04322000      24.16534000      -1.69842780       1.66906707       0.43989482
O       -0.21607000       1.90400000      24.28711000       0.07703011      -0.29525229       0.06317426
O        2.86950000       5.09763000      21.57107000       1.04025921       0.08888088       1.29643093
O        2.74446000       1.71304000       2.68986000       0.09721525       0.61318677      -1.52017969
O        0.22560000       3.32473000      12.15422000       0.28955491      -0.98880471      -0.15622171
O       -2.81158000       4.92630000       7.18036000      -0.32329038       0.13583077       1.68147757
O        3.09009000       1.86328000      16.75614000       0.56891725       0.06297679       1.07281923
O       -0.23264000       3.55561000      26.37787000      -0.79943835      -0.62206906       0.45030224
O        5.82330000       0.07293000       0.68456000      -1.44946977      -1.04098889      -1.63376957
O        3.13812000       1.62464000      10.15650000       0.24472121      -0.74314410      -1.40457678
O        0.02365000       3.54967000      19.57264000      -0.86216783      -0.76096160      -0.09947818
O        0.06148000       1.83088000      16.96425000       0.08203733      -1.18362042      -0.60380938
O        1.73778000       4.45273000      16.82043000      -2.45595892       0.09501491       1.15500969
O       -1.54935000       4.56575000      17.09672000      -0.07228553      -0.13422948      -1.22711429
O        2.67851000       3.30567000      26.58475000       1.10606667       0.25358569       0.89646595
O        1.25682000       0.92255000      26.32173000       0.22126999       0.76358837       1.70864459
O        3.89556000       0.89041000      26.47627000       1.41788236       0.14236631      -0.38158681
O        0.13351000       4.68854000       7.42634000       0.67218041       0.39079425      -0.19577230
O       -1.24815000       2.49945000       7.29705000      -0.49870912      -0.16830354       0.78014094
O        1.46524000       2.18420000       7.31797000       0.17524434       1.88571680       0.53345070
Zn       5.70806000       0.16063000      27.29567000      -1.11316916      -0.83075919      -0.26004836
Zn       3.16742000       1.43281000       8.12798000      -0.37866315       0.12732982       0.08206067
Zn       0.11759000       3.67226000      17.66991000      -0.60275915      -0.24202071      -0.22574905
Zn       5.72691000       0.08219000      23.56732000      -0.39227319      -0.19480710      -0.03506075
Zn       3.03703000       1.72173000       4.49207000       0.71584294      -0.59064014       1.31049943
Zn       0.32233000       3.47243000      14.05908000      -0.68997527      -0.67393559       0.57193573
Zn      -2.73951000       4.97501000      13.27531000       0.22637437       0.53674818       0.68987294
Zn       2.71028000       1.79667000      22.72630000       0.53058678      -0.01690334      -0.25425814
Zn       0.10384000       3.39597000       3.85672000      -0.44393772      -0.08732019      -0.32698449
Zn      -2.77797000       4.82795000       9.25992000       1.02368550       0.33316970       0.23703392
Zn       2.67417000       1.89674000      18.60795000       1.14369903      -1.72430900       0.92163359
Zn      -0.29599000       3.38940000      28.38357000       0.48037882      -0.19458702      -0.25537516
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.13638746 magmom=72.0039938 free_energy=-552.13638746 stress="-0.02627145067750573 -0.0006106398865759808 -0.0012940257291763374 -0.0006106398865759808 -0.04027964337525802 0.012997002321505852 -0.0012940257291763374 0.012997002321505852 -0.04434163233796702" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53107000       1.02008000      15.90407000       1.89656617       1.40331219      -3.33093363
Cr       4.61500000       0.94797000      15.71010000      -0.18496038       1.79593356      -0.22571508
Cr       3.15059000       3.55381000      15.80777000      -1.82362504      -0.37436360      -1.12305689
Cr       4.31864000       2.62085000      25.46845000      -2.35883936      -0.42564748      -0.29718195
Cr       1.36670000       2.59916000      25.42727000      -2.12563144       2.81228467      -1.03738235
Cr       2.60186000       0.21511000      25.30796000       0.73367012      -2.71646947      -0.57698813
Cr       1.66606000       3.94121000       6.29843000      -0.80853675       1.47863816       0.64148084
Cr      -1.24167000       4.21322000       6.20703000      -0.33373339      -1.72068615       0.25238205
Cr      -0.00508000       1.53754000       6.26371000       0.59470422       0.68503556       0.27664602
Cr      -0.04106000       0.17428000      18.15865000      -0.04423340      -0.92252386       0.77006209
Cr       2.67164000       1.63052000      27.77226000       1.29322602       2.53925047       1.31173534
Cr       0.03746000       3.21595000       8.62338000       1.10861214      -0.87282892       1.08031954
Cr       0.05740000       0.03913000       3.99573000      -1.10470587      -1.69294626      -0.17698534
Cr       3.23010000       1.72560000      13.39381000       1.25160234       0.47134606       2.72344112
Cr      -0.15997000       3.41240000      22.96089000      -0.14381142      -0.89826920       0.58285699
Cr      -0.05952000       1.67273000      20.60327000       0.37703978       0.46577467       0.24982870
Cr       1.37671000       4.36504000      20.53599000      -0.63852442      -0.28215351       2.29787091
Cr      -1.47329000       4.20261000      20.69581000      -3.36759679       0.58735839      -4.13010991
Cr       2.88301000       3.47748000       1.59811000      -0.81889124      -0.92388948      -0.90445761
Cr       1.29779000       0.92856000       1.61282000      -0.22278598       0.16654511      -0.58286247
Cr       4.15668000       0.80985000       1.72987000       2.00310464       0.17993231      -1.90435676
Cr       0.24994000       4.98222000      11.18111000       0.86118909       0.48120414      -1.74307410
Cr      -1.24843000       2.49087000      11.02270000      -1.54591177      -1.15151170       0.54002261
Cr       1.53959000       2.41354000      11.12472000       4.14031455      -2.68559701      -1.07751806
O        1.30180000       0.83557000      19.42021000       0.20586463      -0.03373172      -0.01346012
O        4.45192000       0.81927000      19.36650000      -0.08520824       0.87032492       0.21402669
O        2.76763000       3.74283000      19.49844000       1.61724965      -1.46331111      -2.27425521
O        4.16419000       2.32231000       0.47412000      -0.85617017       0.66341217      -0.24613403
O        1.44180000       2.47741000       0.45601000      -0.39146178       0.98823145      -0.15398267
O        2.72134000       0.20847000       0.46818000       0.22934689      -1.65957789      -0.07536225
O        1.50174000       3.85483000       9.93043000      -0.45930330       1.91647425      -1.19617113
O       -1.18517000       4.06742000       9.92814000       1.38699833       0.38413966       0.17108593
O        0.12523000       1.58656000       9.98779000       0.41900330       0.68300603      -1.31650318
O        1.98536000       0.84800000      12.33978000      -1.69806455      -1.01319211      -0.74432679
O        4.77622000       0.95081000      12.13057000      -2.21259260      -1.84603362       1.40222731
O        3.22400000       3.22977000      12.23613000      -0.68928579       0.47955001      -1.01564813
O        4.35379000       2.59685000      21.65697000       0.79016479      -1.53302579       1.60073221
O        1.34062000       2.67298000      21.69609000      -1.53368953       0.70003188       0.25281112
O       -0.31332000       4.95533000      21.79851000       4.10393666       1.58223727       1.69835807
O        1.44194000       4.31805000       2.78701000       0.98931995      -0.04632452       0.66385021
O       -1.67459000       4.42662000       2.67434000       0.67162260      -0.97184617       1.07893687
O       -0.12577000       1.52424000       2.80235000      -0.75342977       1.16713976       0.54741433
O        1.48933000       0.73758000       5.21425000      -0.51171069       0.20744285      -1.32673157
O        4.45303000       0.62126000       5.32599000       1.34216362      -0.82370530      -1.00786772
O        3.18382000       3.36847000       5.28236000      -0.55862159       1.02652830      -1.73697742
O       -1.33353000       2.80696000      14.76997000      -0.31268192      -1.85270419      -1.02268001
O        1.85873000       2.54582000      14.66433000      -0.20330979       0.27532577      -0.52208394
O        3.12251000       0.21875000      14.80608000      -0.64032653       0.31217076      -1.82984846
O        1.02443000       4.28201000      24.24714000       1.20384421       0.27575125       0.06735475
O       -1.59584000       4.02609000      24.22833000       0.35791693       2.05707731      -0.53588019
O       -0.19263000       1.86755000      24.34038000       0.82214293      -0.54242167      -0.74117753
O       -2.77192000       5.09330000      21.68367000      -3.37727428       1.19118485       0.12906344
O        2.80163000       1.85591000       2.56649000      -0.55017824      -1.20924280       1.70470889
O        0.23755000       3.17272000      12.12956000      -1.40306663       2.34080356       0.87814569
O       -2.63001000       5.03899000       7.27595000      -1.75852490      -1.20781317       0.86073519
O        3.13316000       1.76591000      16.79155000      -0.30018759       1.07186289       0.27157732
O       -0.34180000       3.51933000      26.48918000       1.92496408       0.82076944       0.36399942
O        2.78158000       5.09096000       0.59346000      -0.24058638       1.12263472       0.53549905
O        3.16607000       1.54348000       9.97978000      -0.28371628      -0.01963109       1.47743156
O       -0.06924000       3.40345000      19.62507000       0.51812495       0.00176693      -1.90821710
O        0.05218000       1.71785000      16.91969000       0.26147251       0.49867069       0.53729448
O        1.53967000       4.57164000      16.81696000       2.31481184      -1.65066092       0.87672036
O       -1.54143000       4.56912000      16.79038000       0.35975099      -1.71767489       3.69017546
O        2.69262000       3.39012000      26.64335000       0.60354235      -0.65893626      -0.45128249
O        1.30447000       1.08908000      26.54647000      -0.31938818      -1.39736233       0.05006585
O        3.97040000       1.03063000      26.42873000       0.76797594      -1.32345478       1.21944060
O        0.15006000       4.71670000       7.36947000       1.01841861       0.70189365       0.83059821
O       -1.29272000       2.47749000       7.31347000      -0.31717550       0.62409271       0.92558407
O        1.34020000       2.32858000       7.39004000       1.15402276       0.87029378       0.38804298
Zn       5.62740000       0.20354000      27.36683000      -0.52881211      -0.74826395      -1.60375638
Zn       3.02409000       1.48460000       8.10359000       0.03629714      -0.02828916      -0.69432076
Zn       0.12229000       3.60831000      17.54601000      -1.25560521      -0.41601855       0.79950242
Zn       2.82258000       5.07286000      23.57924000      -0.94019657       0.47794439       0.43008317
Zn       3.06197000       1.64847000       4.45248000      -0.08275277      -0.16724148       0.32355982
Zn       0.30285000       3.56376000      14.01395000      -0.07314584      -0.25228421       0.77073184
Zn      -2.71319000       4.97204000      13.22282000       0.11148941       0.65159165       0.35691537
Zn       2.65866000       1.84689000      22.79074000       0.84827709      -0.71850989       0.17274069
Zn       0.11336000       3.44142000       3.88251000      -0.57021263      -0.66647526      -0.12073851
Zn      -2.74139000       4.79129000       9.24509000      -1.42185219       1.05270317       0.13439776
Zn       2.75028000       1.90497000      18.64576000       0.60054195      -0.12088520       1.54919689
Zn      -0.28208000       3.34894000      28.45978000       0.93102558       0.67383329      -0.05162638
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.5251691 magmom=72.0001347 free_energy=-552.5251691 stress="-0.030570299244251715 0.005545488359182029 -0.004321078637724184 0.005545488359182029 -0.03162321155622745 0.01321270872085865 -0.004321078637724184 0.01321270872085865 -0.038309282268363505" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54949000       0.97838000      15.75568000       1.68405435      -0.06028593      -0.03146647
Cr       4.68476000       1.02537000      15.72610000      -1.39319084      -0.77134542       0.48341135
Cr       3.20327000       3.51073000      15.73969000      -2.66295276       1.00651284       0.97421818
Cr      -1.51083000       2.67169000      25.51591000      -1.52033453      -0.26913524      -1.41663053
Cr       1.32625000       2.65842000      25.35682000       0.68042493      -0.07039574       1.32051085
Cr       2.72418000       0.11838000      25.48045000      -0.00767187       0.15268951      -0.88877920
Cr       1.68393000       3.93388000       6.37992000       0.72767246       3.65759655      -1.66534320
Cr      -1.21888000       4.11358000       6.24244000      -1.26663767       1.42469833      -0.20382245
Cr       0.03272000       1.60217000       6.34858000       0.18258305      -1.16374378       0.12978179
Cr       0.02567000       0.16629000      18.19367000       0.49212056      -0.76491817      -0.33652458
Cr       2.69551000       1.78187000      27.79235000       0.12753153      -0.29324243       1.56182150
Cr      -0.05292000       3.32131000       8.69365000       3.88270295      -1.28556118      -0.34378566
Cr       2.88144000       5.05880000       3.96543000       0.85036948      -0.58354245      -1.00364709
Cr       3.24041000       1.72071000      13.46114000      -0.56865041       2.82469094      -5.56736589
Cr      -0.11053000       3.31880000      22.92317000       0.11813645       1.79677401       3.26506281
Cr      -0.18166000       1.67472000      20.49953000       2.02802517       0.84355273       2.07933323
Cr       1.34812000       4.31953000      20.53903000       0.66777445      -0.71230769       0.53638774
Cr      -1.51443000       4.23232000      20.72594000      -0.66204610       1.25598963      -1.38381927
Cr       2.84222000       3.45442000       1.49557000      -1.46875703       0.23447262       2.87843218
Cr       1.32232000       0.89813000       1.59713000      -1.98311595      -0.00765659       2.00691268
Cr       4.24745000       0.86201000       1.61044000      -1.16186365       0.02286446       1.98175359
Cr       0.21853000       4.97456000      11.00558000       0.02862772       0.09767158       2.04029995
Cr      -1.33689000       2.50275000      11.05405000       0.78469852      -2.45258538       0.20651733
Cr       1.60338000       2.31473000      11.03723000       0.09840189       1.98974833      -0.24197774
O        1.42930000       0.71819000      19.51609000      -0.71902915       1.29232339      -0.22001365
O        4.42242000       0.80425000      19.41011000      -0.09451702       0.24005964      -0.86691684
O        2.90824000       3.79390000      19.31782000      -0.24808499      -2.29713718       1.86309831
O        4.07211000       2.44109000       0.46071000       0.44674246      -0.34541609      -1.44845312
O        1.31836000       2.64982000       0.58833000       1.79937314      -1.94772516      -1.30242107
O        2.61045000       0.04212000       0.54649000       1.80552720       1.71035025      -1.54534568
O        1.46887000       3.99373000       9.98850000       0.59744075      -0.24829469      -1.68971391
O       -1.19515000       4.00185000       9.91788000      -1.23436583       1.96612577       1.02496190
O        0.25541000       1.68149000       9.75414000      -1.27139280      -0.34242462       1.20103826
O        1.92150000       0.85363000      12.18888000      -1.13188743      -1.33700660       1.73546222
O        4.52901000       0.81726000      12.17210000       0.46125841       0.03339645       0.91575827
O        3.12816000       3.21253000      12.07241000      -0.40330926       0.47548786       1.32758803
O       -1.44209000       2.57189000      21.83580000      -1.37868121      -0.16136564      -1.31174956
O        1.20594000       2.70835000      21.73983000       1.23839396      -1.21615394      -1.01265466
O        0.05624000       4.94441000      21.85769000      -1.75392019       0.51324653      -0.81032606
O        1.46903000       4.36248000       2.81226000      -0.40539657      -0.08650860      -0.49333406
O       -1.77786000       4.26651000       2.67247000       1.32310229       0.87473906      -0.02693383
O       -0.11208000       1.60620000       2.93667000      -0.61274855       0.12185986      -1.39195051
O        1.31326000       0.68094000       5.06962000       2.02697363       0.77517856       1.54642095
O        4.60561000       0.54442000       5.30895000      -0.96623740       1.05185658       0.22836063
O        3.22061000       3.47595000       5.12727000      -1.01072682      -1.64327674       0.44146534
O       -1.40054000       2.81683000      14.59948000       1.03934802      -1.76553613       0.18255922
O        1.77955000       2.54428000      14.47237000       0.17218078       0.28731634       1.89267937
O        3.16344000       0.42757000      14.65008000      -0.24338456      -4.21792144       2.54026974
O        1.10212000       4.30928000      24.25706000       0.42544504      -0.51642537       0.33209110
O       -1.45333000       4.32918000      24.27273000       0.21858671      -1.52577634       0.21446691
O       -0.06452000       1.81686000      24.29978000      -0.82898312       0.56204646      -0.01272077
O        5.80832000       0.13385000      21.68631000       0.13734419      -1.60951550      -0.77229216
O        2.77694000       1.77742000       2.55535000       0.30196046      -0.42495636       0.51170007
O        0.09611000       3.35548000      12.09069000       0.65163070      -0.83921777       0.02603565
O       -2.76869000       4.95777000       7.40877000       0.19638819      -0.03290436      -2.11774745
O        3.13627000       1.84445000      16.80281000      -0.28805659      -0.29348715      -0.43782535
O       -0.16696000       3.56854000      26.53870000       0.70587487      -0.37969704      -0.30936515
O        5.59709000       0.04966000       0.61460000       1.76258872       0.18104344      -0.91131871
O        3.14530000       1.48550000      10.04517000      -0.25331940       1.49384244      -1.58580982
O       -0.09755000       3.29224000      19.44432000       0.08807211       1.28942796       0.73461207
O        0.12159000       1.66166000      16.90680000       0.79535431       0.35117183      -0.06909214
O        1.73460000       4.42370000      16.92521000       0.12524721       0.50321949      -1.40176878
O       -1.50562000       4.37147000      16.99631000      -0.88574566       2.01811049      -1.05501267
O        2.83667000       3.34906000      26.58763000      -0.39645415      -0.04097154      -0.32972674
O        1.29192000       1.03756000      26.73055000       0.93473870       0.24655948      -1.96251976
O        4.15490000       0.98575000      26.50428000      -2.16104321       1.31044082      -0.06530379
O        0.28375000       4.80400000       7.43141000      -1.59935360       0.58897420      -0.10501123
O       -1.32280000       2.56953000       7.45893000      -0.25989891      -0.55943416      -0.69308809
O        1.36298000       2.59801000       7.55021000       0.31019656      -3.02169552      -0.10595583
Zn       5.52537000       0.20066000      27.36219000       1.83344348      -1.54291629      -0.12937227
Zn       2.88365000       1.53668000       8.05443000       0.92328922      -0.20975892       0.45430881
Zn       0.06861000       3.52365000      17.45974000       1.02093096       0.06313004       0.94187321
Zn       2.80873000       4.98312000      23.61519000      -0.62912634       0.92146276       0.06996759
Zn       3.09143000       1.56222000       4.44971000      -0.28678117       0.10270398       0.56277411
Zn       0.27584000       3.63581000      14.00242000      -0.07685133       0.18766456      -0.56277271
Zn      -2.68272000       5.00506000      13.19075000      -0.17801908       0.42355992      -0.87413352
Zn       2.64774000       1.86074000      22.87320000       0.71252937      -0.62279079      -0.04140418
Zn       0.09100000       3.45256000       3.91205000      -0.45244923      -0.72025943      -0.65124891
Zn      -2.76961000       4.80538000       9.25154000      -1.28913797       0.98299136       1.29362198
Zn       2.86098000       1.89502000      18.75734000       0.03701924      -0.23233439       0.38349109
Zn      -0.23003000       3.34480000      28.53176000      -0.68998181       0.74007670      -0.49258291
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.04106658 magmom=72.0020053 free_energy=-552.04106658 stress="-0.052222622514752404 -0.0007708430106684029 -0.007808392100836728 -0.0007708430106684029 -0.037456266413396416 -0.009628393386677486 -0.007808392100836728 -0.009628393386677486 -0.03800160030396569" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.65379000       0.93656000      15.63613000      -0.47208302      -0.41086440       1.88837292
Cr       4.68709000       1.03749000      15.80664000      -0.76938999      -1.36076833      -0.78578924
Cr       3.11652000       3.53050000      15.72322000       1.72449050      -0.32153727      -1.35863071
Cr      -1.54672000       2.69235000      25.48994000       0.47948701      -0.40390727      -1.51410176
Cr       1.34372000       2.68839000      25.38474000       2.11174395      -2.93458352       0.28819011
Cr       2.84271000       0.06028000      25.61428000      -0.70643922       1.28759852      -2.38600552
Cr       1.69394000       4.10292000       6.38021000      -3.06737504      -1.13657130      -1.44877331
Cr      -1.27236000       4.08766000       6.25616000      -0.75330180       1.35250538      -1.05710795
Cr       0.07963000       1.60399000       6.43100000      -0.33396743      -0.66326712      -1.68067907
Cr       0.10144000       0.12295000      18.23952000      -0.29723124      -0.69847972      -1.14038942
Cr       2.70963000       1.90018000      27.87060000      -0.29763195      -2.90121997      -3.55211847
Cr       0.05310000       3.35014000       8.74793000      -0.88301925      -0.02941877      -1.46603214
Cr       2.83477000       4.95525000       3.89664000       2.24143761       1.95304951       1.53107988
Cr       3.19408000       1.81017000      13.31332000      -2.34817925      -2.44253764       3.19189227
Cr      -0.06230000       3.32689000      23.02625000      -0.53937484       1.98834923      -1.87185034
Cr      -0.17545000       1.69773000      20.46285000       0.20420241       1.38909957       2.39892660
Cr       1.34464000       4.23900000      20.56285000      -0.54103812      -0.49343128      -1.23030228
Cr      -1.61357000       4.33099000      20.65164000       2.26849568      -1.21930276       1.34576981
Cr       2.74342000       3.43147000       1.52072000       1.29913343       0.56830940       1.92169179
Cr       1.27449000       0.87533000       1.65065000       1.16592737      -0.31107134      -0.09822002
Cr       4.27100000       0.91341000       1.57356000      -0.53844526       0.11152684       0.32252864
Cr       0.19623000       4.99450000      10.95710000      -0.96932988       0.34177321       2.26136627
Cr       4.51593000       2.39880000      11.10020000       1.92160778       1.06173114      -1.22713109
Cr       1.67301000       2.30252000      10.95790000      -3.13568855       2.14119282       1.11749200
O        1.37997000       0.82040000      19.56306000      -0.43405494       0.62437596      -0.91554593
O        4.41861000       0.80108000      19.34744000       1.16979248      -1.18097027      -0.45391495
O        3.02693000       3.58385000      19.41398000      -1.40846773       2.08032120      -0.00125362
O        4.07687000       2.53348000       0.33401000       0.82954737       0.40452948       1.89417116
O        1.44706000       2.49385000       0.48540000      -1.96256700       0.78202779       0.60773396
O        2.81838000       0.20379000       0.40575000      -0.40692096       0.05107479       0.25239171
O        1.45226000       4.11418000       9.77085000       0.07875956      -1.00515662       1.28030841
O       -1.25984000       4.15912000      10.03101000      -0.14879378      -1.16207287      -1.30636182
O        0.16312000       1.75613000       9.78751000      -0.71029633      -1.23862502       1.32194011
O        1.71334000       0.72591000      12.22345000       1.43078962       1.62125342      -1.29733159
O        4.32363000       0.69724000      12.30336000       2.20226355       0.61430945      -1.63226066
O        3.01300000       3.20084000      12.06853000       0.46178278       0.67790887      -0.23914134
O       -1.45648000       2.57015000      21.81792000      -0.51359104       0.97958351      -0.34058146
O        1.17034000       2.59473000      21.65248000       0.90960856      -0.46462091       0.98005952
O        0.12207000       4.97436000      21.82067000      -2.64859547       0.02051983       0.43949689
O        1.47397000       4.40313000       2.71694000      -1.23078013      -1.16668103      -0.24353642
O       -1.72656000       4.29543000       2.66577000       0.13617182      -0.32012853      -0.19197005
O       -0.20825000       1.62093000       2.82315000       0.41869476      -0.29545851      -0.03269343
O        1.40711000       0.71244000       5.18694000      -0.03608079      -0.49502867      -0.04084732
O        4.66470000       0.63202000       5.30566000      -0.81473188       0.36490295      -0.40309373
O        3.06539000       3.37961000       5.07506000       0.07553401       0.05037436       0.83660628
O       -1.34669000       2.47869000      14.49696000       0.26831070       1.45326807       0.46950663
O        1.80402000       2.55223000      14.60083000      -0.10747493       0.73888018      -1.22396766
O        3.16121000       0.16964000      14.77257000       0.78332459       2.02071501      -0.33139963
O        1.21017000       4.23611000      24.34406000      -0.07295116       1.06780743      -0.39402634
O       -1.26042000       4.30171000      24.35620000      -2.19819922      -0.44801267      -0.92451267
O       -0.08073000       1.90923000      24.29032000      -0.63972593      -1.55491526       0.67184745
O        5.60652000       0.01805000      21.51509000       2.75474170       0.24756043       2.28260680
O        2.77316000       1.60796000       2.60223000       0.33127527       1.50699576      -0.07584486
O        0.06173000       3.38591000      11.99355000       1.06038452      -1.54326722       0.66608977
O        3.06517000       4.89804000       7.21977000       2.14056697       1.13873472       2.79096580
O        3.08713000       1.87690000      16.68977000       0.49603407      -0.78463868       1.41690123
O        0.10130000       3.53023000      26.51436000      -1.91951212      -0.70645919       1.91340444
O        5.76342000       0.12599000       0.59353000      -0.59378694      -1.08472019      -0.66633297
O        3.09745000       1.62702000       9.94939000       0.83495302      -0.77930886      -0.25270223
O       -0.08754000       3.40562000      19.45479000      -0.34658191       0.21758734       0.01616963
O        0.31677000       1.67856000      16.84351000      -0.97881794      -0.14930760       0.47132099
O        1.96287000       4.41727000      16.79379000      -3.55454169       1.15377492       1.64681838
O       -1.57563000       4.49808000      17.01048000       2.18027261      -0.54735423      -1.45672162
O        2.87499000       3.31947000      26.48604000      -1.21378058       1.95766865       1.31861804
O        1.40431000       1.02003000      26.53740000      -0.33524733       0.10240352       0.81475784
O        4.02047000       1.14258000      26.61023000       1.79457037      -0.52267717       0.84312059
O        0.15258000       4.88174000       7.44737000      -0.16117950      -0.71710639      -0.50990207
O       -1.29982000       2.60907000       7.47704000      -0.16844775      -1.06353675       0.07174516
O        1.35668000       2.49268000       7.55358000      -0.40564055       1.36345257      -1.12334754
Zn       5.51158000       0.12976000      27.32074000       1.26423012      -0.22697954      -1.36839982
Zn       2.81558000       1.56640000       8.02784000       2.45046662      -0.53359164       0.27032823
Zn       0.04568000       3.44935000      17.43136000       0.31297371       1.21420356       0.81601742
Zn       2.76689000       4.95484000      23.64964000       1.48674501       1.29997537      -0.82883611
Zn       3.10264000       1.48618000       4.48094000      -0.46100098       0.13776719       0.61937745
Zn       0.24738000       3.69141000      13.97080000      -0.05518737      -2.61973678      -1.09869857
Zn      -2.66797000       5.05744000      13.14737000      -1.19321353      -0.17960086       1.06041328
Zn       2.67892000       1.83987000      22.95338000       0.89878218      -0.49845437      -0.90252111
Zn       0.04346000       3.42535000       3.92203000      -0.39252069      -0.51355407      -0.55870266
Zn       3.04276000       4.87823000       9.30158000       0.86944589       1.29402848      -0.61261533
Zn       2.96038000       1.86241000      18.87625000      -0.84327812      -1.37033731      -1.09553087
Zn      -0.19974000       3.37966000      28.57405000       0.55191555       1.11812148      -0.70030173
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.08757433 magmom=72.0021059 free_energy=-552.08757433 stress="-0.040165440978578035 0.006011907404559726 0.00566277370560418 0.006011907404559726 -0.03759002679737518 -0.003077471007870545 0.00566277370560418 -0.003077471007870545 -0.03408957181807356" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.72861000       0.89720000      15.63513000      -0.94601892       1.78063502       0.69173048
Cr       4.65180000       0.97584000      15.87707000       0.45405857       0.75200878      -1.20989283
Cr       3.09239000       3.55950000      15.68143000       1.17459408      -0.25369744       0.43144469
Cr       4.31289000       2.67948000      25.41234000       0.15810662      -0.35505018       1.45473178
Cr       1.47571000       2.56798000      25.46387000      -2.36839502       1.44156785      -1.93781073
Cr       2.92154000       0.08552000      25.63741000      -0.05666308      -1.47021422      -1.80194369
Cr       1.55639000       4.23993000       6.31197000      -0.28913844      -1.14954133       0.34926231
Cr      -1.37085000       4.11955000       6.21884000      -0.37725489      -2.06817788       0.65296781
Cr       0.09500000       1.56234000       6.40861000      -0.42451566       0.64332479      -0.97995353
Cr       0.15447000       0.06093000      18.26166000      -0.20247318      -0.29031829      -3.91216830
Cr       2.70898000       1.89242000      27.82030000       0.35317207       0.83227334       0.63288784
Cr       0.10957000       3.34440000       8.70662000      -3.12454734      -0.93991481      -0.74579705
Cr       2.91150000       4.95640000       3.90035000      -0.90714187       1.06862186       0.90734872
Cr       3.03886000       1.76741000      13.30861000       1.98962959      -1.14920788       1.41684033
Cr      -0.05598000       3.44377000      23.04597000      -1.07594499      -0.89308845      -0.83187947
Cr      -0.14038000       1.76450000      20.51965000      -1.06078167      -0.30782934       1.79323071
Cr       1.33951000       4.16304000      20.55055000       0.89223087       1.59970235       1.66712330
Cr      -1.59686000       4.38159000      20.61616000       0.62237082      -0.80641033       0.52517856
Cr       2.71636000       3.41455000       1.60539000       0.75354665       0.23614795      -1.24685341
Cr       1.29525000       0.84219000       1.67622000       0.98873294       0.51099345      -2.47229371
Cr       4.24285000       0.96906000       1.56416000       1.70029797      -1.19471936      -0.47309007
Cr       0.11693000       5.01451000      11.05461000       0.40199469      -0.79852729      -0.97863584
Cr      -1.33165000       2.36482000      11.07778000      -1.90599229       2.39235661       0.33893471
Cr       1.58548000       2.42352000      10.93265000       1.06112645       0.22777146       0.04426883
O        1.28448000       1.03052000      19.46854000       0.92759344      -1.08477572       0.00592438
O        4.56580000       0.61928000      19.26329000      -1.22556638       1.70799615       1.61596610
O        2.88067000       3.65739000      19.51245000       0.42149975      -1.34980168      -1.56132865
O        4.15499000       2.62474000       0.50908000      -1.06134278      -0.34132653      -0.39160487
O        1.28997000       2.41690000       0.47978000       1.65883900       0.51564383       0.51510386
O        2.94377000       0.40015000       0.32178000      -1.70924403      -2.52007929       0.47535375
O        1.42985000       4.03044000       9.81541000       0.37761786       0.88986024       0.71039082
O       -1.28030000       4.10590000       9.96000000       0.72832250      -0.24736313      -0.32069060
O       -0.02182000       1.67426000      10.04212000       2.50444184      -0.12774946      -2.94370978
O        1.75806000       0.88699000      12.06020000      -0.57968453      -0.85659811       1.44947820
O        4.44812000       0.76434000      12.16465000      -0.26356313      -0.11214331       0.64570953
O        3.00436000       3.21469000      12.05953000       0.64635274       0.51959168       0.32113197
O       -1.50402000       2.76624000      21.69813000       0.37334714      -1.60849031       0.87326519
O        1.26012000       2.46562000      21.70168000      -0.36705960       1.64448724       0.90299505
O       -0.26658000       4.94282000      21.80540000       2.80220745       1.22511272       0.79994994
O        1.34232000       4.29987000       2.59914000       0.13818106       0.63594438       1.80071755
O       -1.71016000       4.31765000       2.64749000       0.31432444      -1.23190882       1.06099003
O       -0.20104000       1.50953000       2.69509000       0.68161832       0.39244361       2.14329981
O        1.47808000       0.66272000       5.32277000      -0.83500251       0.44499934      -2.23791680
O        4.63880000       0.74963000       5.27427000       0.71152471      -0.77974561      -0.67133968
O        2.91564000       3.35777000       5.21210000       0.67572992       0.81993759      -0.88363019
O       -1.31282000       2.36085000      14.50811000      -0.56201567       2.19408472      -0.08879821
O        1.84382000       2.62643000      14.58391000      -1.01238751      -0.38902722      -0.64483143
O        3.28300000       0.20839000      14.80864000      -0.82039072      -0.68003241      -2.70875971
O        1.23067000       4.25713000      24.40821000      -0.18323405      -0.31178798      -0.40161534
O       -1.42730000       4.16965000      24.28052000       0.56634188       1.52261693       0.07639731
O       -0.19477000       1.84230000      24.37462000       1.14857301      -0.11526373      -0.65978725
O        2.86964000       5.00206000      21.65889000      -1.81558327       1.59130640       0.27851038
O        2.80854000       1.71293000       2.58824000      -0.41940947       0.10330067       1.57852011
O        0.20565000       3.17587000      11.98884000      -0.95777876       1.78174611       1.28256347
O       -2.66534000       4.99278000       7.38853000      -1.82636717      -0.10622263      -0.21705745
O        3.13104000       1.80198000      16.76119000      -0.07235866       0.87330243       0.98879981
O        0.02809000       3.38073000      26.62476000      -0.83664016       0.92650084      -1.42027691
O        2.94142000       5.09022000       0.50068000      -1.42439107       0.19584629       0.71192838
O        3.13799000       1.66591000       9.89710000      -0.75447156      -1.13601552       0.61649816
O       -0.14319000       3.53573000      19.53719000      -0.24343896      -1.10524317      -1.40334332
O        0.35004000       1.62606000      16.83023000      -1.10162076       0.11407243       1.01064469
O        1.70804000       4.49684000      16.86376000       1.26537248      -1.71822582       1.05994809
O       -1.40454000       4.55319000      16.75067000      -0.69534078      -2.36018572       1.85045572
O        2.75859000       3.53019000      26.53959000       1.09552089      -3.21973539      -0.86880668
O        1.49535000       1.00522000      26.44941000      -0.50344866      -0.79444496       2.12016546
O        4.13266000       1.24082000      26.72948000       0.35245943      -1.17044075      -1.24286700
O       -0.01643000       4.79641000       7.35193000       1.27319081       1.24045372       0.87882927
O       -1.26267000       2.49845000       7.43315000      -0.47156984      -0.02797179      -0.00571253
O        1.31379000       2.62522000       7.35456000       1.96429569      -0.56488472       1.11850411
Zn       5.57549000       0.04721000      27.22668000       0.63075900       2.46888192       0.71660645
Zn       2.86870000       1.57182000       8.00882000       0.79958981       0.28583840      -0.32990111
Zn       0.05256000       3.43535000      17.44445000       0.56594167       0.50327017       0.26142103
Zn       2.80270000       4.99689000      23.64295000       0.63058260       1.03607680      -0.52001755
Zn       3.08184000       1.42471000       4.54100000      -1.07362187       1.28567387      -0.56169642
Zn       0.21391000       3.63185000      13.89012000      -0.22739670      -1.07310894       0.52793004
Zn      -2.70620000       5.10410000      13.15314000      -0.42739265      -0.11990562       0.17860791
Zn       2.75557000       1.79245000      22.99604000       0.28782214      -0.28662085      -0.99209097
Zn      -0.02544000       3.37118000       3.91018000       0.04700285      -0.22024931      -0.82034469
Zn       2.98895000       5.01652000       9.32587000       0.70813858      -0.40840802       0.26278495
Zn       3.02152000       1.76957000      18.94136000      -0.14797556       0.08665637      -0.94626510
Zn      -0.14602000       3.47503000      28.57986000      -0.48988816       1.25340502      -0.31263076
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.10257013 magmom=71.9969034 free_energy=-552.10258127 stress="-0.025599295631664236 0.008630304637135298 0.005875692465977594 0.008630304637135298 -0.04210718338051535 0.007094163772234219 0.005875692465977594 0.007094163772234219 -0.033067096693463374" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.73509000       0.92967000      15.72250000      -0.49638259       0.19354511       0.20154875
Cr       4.62908000       0.92374000      15.90424000      -1.01929797       0.45011385      -2.12655673
Cr       3.13344000       3.57020000      15.67425000      -0.75926220      -1.39358459      -0.38844422
Cr       4.28182000       2.63289000      25.40208000       1.55985156      -0.12092053      -1.26888479
Cr       1.50626000       2.46860000      25.50388000      -4.98368361       0.58261645      -3.23221788
Cr       2.97744000       0.06125000      25.57843000      -1.73458533      -1.31166149      -1.12221816
Cr       1.37534000       4.29044000       6.24325000       2.31355479      -1.69787802       0.34237073
Cr      -1.48239000       4.06096000       6.22366000       0.23417905       0.68436317       1.19514496
Cr       0.09056000       1.56695000       6.31815000       1.62747512       0.93290080       0.02450444
Cr      -2.77461000       5.09920000      18.13772000      -0.94484085       0.11681354       1.07841593
Cr       2.74073000       1.88995000      27.75870000       1.39603928      -1.45557877       4.03156458
Cr       0.00694000       3.28553000       8.59866000       2.25428390      -0.23475775       0.64211329
Cr       2.95222000       5.01813000       3.95106000      -1.08300263      -1.66265020      -0.99610483
Cr       2.98940000       1.66443000      13.39002000       3.18094854       3.18168873      -3.25424899
Cr      -0.12125000       3.52796000      23.01450000      -0.16885123      -1.59072265       1.30931067
Cr      -0.14537000       1.80240000      20.66013000       0.83177190      -1.45245909      -0.79702031
Cr       1.38194000       4.17406000      20.60738000       0.45090731       1.69434922       0.01298611
Cr      -1.55748000       4.39687000      20.59002000      -0.88288129      -0.00987072       0.22097385
Cr       2.72569000       3.40425000       1.61784000      -0.51462013       0.85201837       2.80390102
Cr       1.37120000       0.82487000       1.57760000      -0.86275583      -1.00290252       2.19839643
Cr       4.29313000       0.95454000       1.54592000       0.30960046      -1.69107805       2.55114770
Cr       0.05430000       4.99376000      11.11755000       1.29376557       0.36101991      -1.48416383
Cr      -1.34624000       2.45509000      11.04097000      -0.59607099      -0.48956152      -0.15073730
Cr       1.54997000       2.55322000      10.94384000       2.93103739      -2.09524429       1.60974564
O        1.30656000       1.03608000      19.38925000      -0.22765250      -1.66250460       1.08692568
O        4.60262000       0.67044000      19.45349000       0.15627020       0.53689234      -0.00649183
O        2.75214000       3.56109000      19.35444000       1.71384796       0.19753445       1.02486713
O        4.07309000       2.59832000       0.60479000       1.43586214      -0.17202099      -3.02236361
O        1.33299000       2.47209000       0.60104000       0.19395667       0.48485655      -2.29299912
O        2.79267000       0.26233000       0.34500000       0.60719358       2.12622680       0.38596760
O        1.39197000       4.10501000       9.97323000       0.10519367       1.21416421      -2.31137069
O       -1.15799000       3.97937000       9.84257000      -2.36195781       1.76457011       0.87507109
O        0.14331000       1.73618000       9.91596000      -0.35575309       1.52420515      -0.53625126
O        1.77862000       0.96954000      12.09667000      -1.97919562      -1.31837614       1.45393125
O        4.51644000       0.85368000      12.08693000      -0.73316348      -0.81420008       1.69268089
O        3.11060000       3.25455000      12.09666000      -0.47506402       0.34359651       0.61915131
O       -1.43655000       2.75508000      21.70633000      -1.05082785      -0.29859780       1.05220309
O        1.22299000       2.68284000      21.88605000       0.44784906      -0.27712048      -0.39709342
O       -0.21532000       5.05694000      21.88634000       1.24199063       0.80030324      -0.90115154
O        1.32349000       4.32127000       2.77801000       0.73537742       0.60284140      -0.29784463
O       -1.71292000       4.19300000       2.77455000       0.89676218       0.27762472      -1.21077873
O       -0.04743000       1.40752000       2.85603000      -0.50938712       2.02853275      -1.90423108
O        1.35015000       0.60768000       5.11811000       1.14006167       0.36711892       0.86849024
O        4.71858000       0.72787000       5.15805000      -2.41879025       1.13644375       0.70460137
O        2.88456000       3.54085000       5.23402000      -0.12361872      -1.90567001      -0.79063038
O       -1.44793000       2.61839000      14.56802000      -0.15855151      -0.84121250       0.81751309
O        1.77781000       2.62538000      14.49174000      -0.39423175      -0.48434138       2.17768259
O        3.28072000       0.23634000      14.47969000      -0.70985093      -1.57867170       3.17193574
O        1.17424000       4.20267000      24.38747000       1.63584033      -0.18120587      -0.37283067
O       -1.45841000       4.22523000      24.25624000       0.36616964       0.42387114       1.02000790
O       -0.13266000       1.80682000      24.38456000       0.51720345       0.62439175      -0.48154585
O        5.83063000       0.05209000      21.73354000      -0.60448357      -0.07301510      -1.66499799
O        2.79907000       1.82404000       2.73483000       0.06390392      -1.73727928      -1.47139997
O        0.17470000       3.24877000      12.08455000      -1.01707653       0.47048976      -1.96294031
O       -2.77119000       5.09450000       7.45960000      -0.74390344      -0.64243877      -1.77645100
O        3.19620000       1.84241000      16.90993000      -0.53658909      -0.30084357      -1.10842742
O       -0.22441000       3.41590000      26.46975000       1.68698910       0.44168767       1.01661631
O        2.79166000       4.99212000       0.56757000      -0.16266997       1.91140672      -1.25982824
O        3.07429000       1.50384000      10.01679000      -0.16469007       1.09248164      -1.20533507
O       -0.20628000       3.46292000      19.48418000       0.78078289       0.11042931       0.68872964
O        0.19390000       1.53506000      16.94511000       0.93077825       0.40137776      -0.36678007
O        1.67616000       4.37226000      17.04248000       1.43977632       0.54424633      -1.90041846
O       -1.35416000       4.31203000      16.69099000      -0.99031462       1.84305767       1.12293264
O        2.82445000       3.29894000      26.47442000       0.44640000       1.77464625       1.11021169
O        1.49340000       0.86767000      26.68569000       0.64847710       0.72742802      -1.13246755
O        4.29075000       1.13130000      26.60175000      -2.01387662      -0.50502194       0.35118154
O       -0.02212000       4.82883000       7.37550000      -0.80508153       0.58613344       0.10800680
O       -1.26005000       2.40423000       7.35798000      -0.43518565       0.92494709       0.16748156
O        1.53244000       2.69614000       7.34771000      -1.71321045      -0.99573033       0.04066054
Zn       5.69380000       0.05442000      27.14995000       0.94324577      -0.45437439       1.23104436
Zn       2.97552000       1.59106000       7.97555000      -0.05473730      -0.10886178       1.12713787
Zn       0.08873000       3.44152000      17.48852000       0.51013435      -0.86368010       0.92934651
Zn       2.87492000       5.10250000      23.61837000      -0.71004461       0.31548215       0.47116023
Zn       3.00941000       1.42543000       4.58350000      -0.16060664       1.16590527       0.09180802
Zn       0.16191000       3.50285000      13.83695000      -0.37302256      -0.01779970       2.44156624
Zn       0.17199000       0.03324000      13.18329000      -0.20225855      -0.17004561      -0.67148703
Zn       2.85364000       1.72754000      22.99933000      -0.18460229       0.08916233      -0.76381058
Zn      -0.09955000       3.30154000       3.86435000       0.18563252       0.11359514      -0.54501883
Zn       0.02302000       0.02237000       9.35564000       0.19959091      -2.27550919       0.32556903
Zn       3.07430000       1.66963000      18.96010000      -0.31802620       0.49669368      -0.73333619
Zn      -0.10167000       3.63181000      28.56022000      -0.67804563      -2.62438163      -0.48772751
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.2127842 magmom=72.0034644 free_energy=-552.2127842 stress="-0.042478282491737636 -0.0032887849639005296 -0.005947409609086714 -0.0032887849639005296 -0.040578704592217206 0.00165257758453493 -0.005947409609086714 0.00165257758453493 -0.037640227467485965" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.69097000       0.96645000      15.85967000      -0.46192336      -1.51175324      -1.02024541
Cr       4.57852000       0.88193000      15.85313000      -0.21230250       0.37085662      -2.13137521
Cr       3.11911000       3.54301000      15.70488000      -1.32175610      -0.45775487      -0.43613375
Cr       4.32189000       2.56399000      25.36293000      -0.44664100       0.30364773       0.22211170
Cr       1.33130000       2.41039000      25.46812000       2.12794755       2.55251253       0.50250280
Cr      -0.00721000       5.09797000      25.46837000      -0.45158432       0.64708114      -1.06585237
Cr       1.30732000       4.23782000       6.19774000       1.61844485      -0.14306567       0.10286822
Cr      -1.58651000       4.03021000       6.28892000       0.25370860       2.58879756      -1.23505628
Cr       0.15146000       1.63241000       6.21832000      -1.20893143      -0.24539551      -0.60742352
Cr      -2.79210000       5.02344000      18.06292000      -0.59469958       1.27466480       3.75557969
Cr       2.81682000       1.81532000      27.81861000       1.29926032       0.45386541      -0.41882094
Cr      -0.01000000       3.26225000       8.52095000       1.14170922       3.93189327       0.82882611
Cr       2.92179000       5.02427000       3.93316000       0.44885085       0.85076726       0.59955066
Cr       3.10663000       1.70532000      13.34715000      -1.46331534      -0.07958771       3.13360847
Cr      -0.19516000       3.54373000      23.04756000       2.09762255       0.76360324       0.12108843
Cr      -0.10942000       1.79069000      20.76484000       1.21699938       2.17208810      -1.45199038
Cr       1.45466000       4.28531000      20.66928000      -1.35630114       0.16876067      -0.96011627
Cr      -1.58372000       4.39332000      20.54006000       1.27808324      -2.62733748       2.34506108
Cr       2.72968000       3.42449000       1.70081000       0.82907057      -0.88362045      -1.75696861
Cr       1.38818000       0.78919000       1.56133000      -1.92633545       1.16015078       0.98164210
Cr       4.35486000       0.87011000       1.64493000      -1.45974405       2.24535256       0.05576528
Cr       0.05390000       5.02040000      11.07904000      -0.90224761       2.04944104      -1.10675966
Cr      -1.42406000       2.53328000      11.00360000       0.48659619      -1.32698229      -0.95594924
Cr       1.67335000       2.58255000      11.02956000      -2.01077044       0.12982330      -0.30173360
O        1.30430000       0.75318000      19.47706000       0.84429902       2.18936580      -1.54523873
O        4.64583000       0.82327000      19.61884000      -0.59994775      -0.93332498      -2.62452860
O        2.91734000       3.53314000      19.37131000       0.02234863       0.14534140       0.44049796
O        4.20346000       2.52763000       0.29448000       0.36472399       0.68583045       2.14510580
O        1.48221000       2.57244000       0.41820000      -0.86032563      -0.08555283       0.72265828
O        2.79287000       0.37578000       0.46038000       1.73371677      -2.25162656      -0.49601449
O        1.34324000       4.30832000       9.80518000       0.24269133      -1.44264703       0.44961032
O       -1.34571000       4.10494000       9.84832000       0.15637105       0.04073566      -0.19405463
O        0.31840000       1.98695000       9.72498000      -1.28244888      -3.64738794       2.54886944
O        1.57469000       0.86121000      12.36075000       1.79139049       1.20897809      -2.08010225
O        4.38765000       0.85414000      12.24370000       0.53683462      -0.09427727      -1.38862336
O        3.14225000       3.27118000      12.19510000      -0.96956156       0.30880555      -0.47796978
O       -1.46223000       2.67703000      21.86802000      -0.74292702       0.75875425      -0.36043447
O        1.20239000       2.89495000      21.94655000       0.85601452      -2.51425150      -0.69947545
O        3.05965000       0.09928000      21.83827000      -1.93334186      -1.32057393      -0.44028980
O        1.48618000       4.44960000       2.92477000      -1.44598006      -1.58738198      -1.70518205
O       -1.65741000       4.16223000       2.73542000       0.03168384       0.75639729      -0.32079450
O        0.02237000       1.53651000       2.77565000      -0.79230342      -0.08088295      -0.08804786
O        1.34980000       0.59853000       5.07968000       0.23022717      -0.28430892       1.20442737
O        4.52769000       0.81427000       5.18074000       1.10384370      -0.65382431       0.06910757
O        2.86192000       3.45440000       5.13497000      -0.47393444      -0.58353518       0.08363268
O        4.33672000       2.67865000      14.67811000       2.29811774      -2.47998198      -1.87860845
O        1.70457000       2.48243000      14.72168000      -0.00637142       1.12239642      -1.46693444
O        3.08919000       0.13553000      14.59883000       0.35904997       0.57223704       0.77134534
O        1.32369000       4.10241000      24.30790000       0.01539640       0.78555558       0.27842245
O       -1.38186000       4.32816000      24.39488000      -1.79326475      -0.50645566      -1.18402012
O        0.00235000       1.92616000      24.28656000      -2.02939758      -0.99349759      -1.06403333
O        5.75170000       0.15026000      21.54392000       2.14939075      -2.18573959       3.65146313
O        2.79787000       1.63837000       2.60603000       0.28215934       0.76863678       0.78727422
O       -0.03386000       3.39769000      11.91642000       1.99834349      -1.59557955       2.49149277
O        2.86658000       5.08620000       7.19032000       0.28857629      -0.75110153       1.46384694
O        3.16255000       1.81331000      16.80642000      -0.23347873      -0.27523405       1.24489409
O       -0.20157000       3.50574000      26.42067000       1.25761216      -1.88927041       1.51144990
O        5.59263000       0.05114000       0.55020000       2.36201642      -1.32757764      -0.50183787
O        2.97181000       1.54225000      10.00961000       0.82710590       1.38039849      -0.32608386
O       -0.10945000       3.40225000      19.58352000       0.52717760       0.97947818      -0.26403647
O        0.16381000       1.53791000      16.94700000       0.00086544       0.65077863       0.02933376
O        1.84115000       4.31305000      16.84249000      -2.53285614       0.39936007       0.64074001
O       -1.46613000       4.35216000      16.83909000       1.38355977       0.26636996       0.55778219
O        2.93831000       3.26259000      26.50216000      -1.48032342       0.25728154      -0.10397211
O        1.58528000       0.83938000      26.72860000      -0.40410663       0.70894159      -1.81367569
O        4.14587000       0.94780000      26.49362000       1.91438895       0.55119458       1.18223469
O       -0.11184000       4.89183000       7.39839000      -0.20542264      -0.33375126      -0.84672159
O       -1.26241000       2.49007000       7.30222000      -0.52087097      -1.00972793       0.75044773
O        1.43263000       2.59247000       7.34584000      -0.02150560       0.02437259      -0.27247549
Zn       5.85180000       0.05921000      27.12902000      -1.33169978      -0.72794992       0.58697338
Zn       3.08230000       1.60902000       7.99117000      -0.93646708      -0.18584313       0.58013762
Zn       0.15321000       3.41238000      17.58543000      -0.04539569      -0.03307503       0.54142616
Zn      -0.03496000       0.11611000      23.61427000      -0.59429267      -1.01971700      -0.26843869
Zn       2.91611000       1.49703000       4.61614000      -0.35703017       1.28222005      -1.31301623
Zn       0.09026000       3.36044000      13.89347000       0.33203574       0.33698383       0.68301768
Zn       0.08361000       0.06188000      13.20875000      -0.44970852      -0.53849095       1.08534174
Zn       2.94902000       1.67114000      22.98133000      -0.14472725       0.75310555      -0.03629064
Zn      -0.16373000       3.23586000       3.79259000       0.36246795       0.50258236       0.04408599
Zn       0.02828000       0.04362000       9.39255000       0.49496544       0.33259099      -0.94384085
Zn       3.10628000       1.59130000      18.94157000      -1.22673690       0.80427451      -0.36868147
Zn      -0.09711000       3.68503000      28.50637000      -0.33468894      -1.62820745      -0.67237523
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.16821594 magmom=71.9981871 free_energy=-553.16821594 stress="-0.04037514104262731 -0.005556478464624467 -0.008203859673995811 -0.005556478464624467 -0.032524997527413675 -0.01297272296335333 -0.008203859673995811 -0.01297272296335333 -0.03109132926626213" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60547000       0.92006000      15.95911000       0.31018728      -0.18849344      -1.32478238
Cr       4.53372000       0.84984000      15.73511000       0.42896901      -0.55185228       1.36963613
Cr       3.04644000       3.50270000      15.75188000       0.95492195      -0.92075091       0.05778452
Cr       4.32293000       2.50937000      25.35872000      -1.09142536       0.54940359       1.00258826
Cr       1.27708000       2.48860000      25.46410000       3.05204210       1.19553830      -1.90748225
Cr      -0.05606000       5.06746000      25.34911000       1.51746036       0.72339473       1.04895175
Cr       1.33408000       4.16619000       6.16603000      -0.73608099       0.16413838      -0.51530548
Cr      -1.66430000       4.11646000       6.29993000       0.34455485      -1.52456851      -0.16838138
Cr       0.12452000       1.67879000       6.11006000      -3.50889070      -0.57094424       1.40517220
Cr      -2.83170000       5.01655000      18.15497000      -0.96398424       1.87093011       0.97699847
Cr       2.93947000       1.77502000      27.86012000       0.00276978      -0.30685289      -1.64489466
Cr       0.04845000       3.40175000       8.53704000      -0.97414985      -1.16569985       1.55877595
Cr       2.89633000       5.04754000       3.92450000      -0.04887870       0.08286666      -0.01836791
Cr       3.13946000       1.75933000      13.43111000      -3.34295233      -2.17277951      -0.22474373
Cr      -0.14280000       3.58388000      23.06836000       1.56105636      -0.08812118      -1.53567230
Cr      -0.02077000       1.84502000      20.78136000       0.33030105      -1.75680926      -1.17512178
Cr       1.47521000       4.39970000      20.68582000       1.38636526      -1.69305396      -0.01428989
Cr      -1.54336000       4.28317000      20.58022000       2.06352299       0.93966039       1.84751493
Cr       2.78270000       3.38469000       1.67060000       0.95027373       0.20236339      -2.73166518
Cr       1.32784000       0.81989000       1.57828000       1.93074653       1.01013466      -1.91898390
Cr       4.35139000       0.88635000       1.71337000       0.40907401       0.08764867      -2.90612118
Cr       2.96780000       0.02306000      10.98470000      -0.59421983      -0.81930650       0.88092321
Cr      -1.45097000       2.55193000      10.94397000       2.41928336      -0.11504490       1.54671144
Cr       1.66953000       2.60244000      11.09583000      -3.76820256      -0.14004329      -1.03499756
O        1.40233000       0.78252000      19.39459000      -0.80644984       0.16875369       0.77635929
O        4.70364000       0.79272000      19.40869000       0.09721202      -0.00475640       0.58794293
O        3.04550000       3.55521000      19.47747000      -1.54407673      -0.82783670      -0.88285696
O        4.32798000       2.52956000       0.34296000      -1.23550175      -0.13415495       1.72126012
O        1.51837000       2.61135000       0.34599000       0.35804894      -1.23085025       1.10411829
O        3.03959000       0.22519000       0.51229000      -1.94579058       0.51533393      -0.51436090
O        1.29671000       4.23651000       9.74066000       0.85474230       0.19821082       0.84613071
O       -1.41460000       4.18006000       9.88219000       1.71966970      -0.31981366      -0.52039421
O        0.20276000       1.81850000       9.88188000      -0.86636644       1.94544315      -0.03824862
O        1.68538000       0.95956000      12.27003000      -0.05985745       0.03057640      -0.45669192
O        4.29513000       0.85711000      12.16054000       1.27414442       0.28991923      -0.42588976
O        3.04303000       3.27322000      12.19218000       1.02730007       0.97924615       0.47792587
O       -1.50403000       2.76359000      21.93091000       0.75767140      -0.64162300      -1.16139108
O        1.27699000       2.71573000      21.85170000       0.29230835       0.42566064       0.68894335
O        0.05803000       5.08037000      21.71654000      -1.38491170       0.83196555       1.27423395
O        1.51398000       4.35019000       2.75546000      -0.65417047      -0.33394651       0.79390248
O       -1.66652000       4.31370000       2.64143000       0.09709298      -0.68214099       1.46481834
O       -0.05828000       1.61301000       2.65328000       0.24835306      -0.41849010       1.83977887
O        1.37591000       0.55078000       5.26712000      -0.08232939       0.89774148      -2.58000070
O        4.50460000       0.76868000       5.21437000      -0.17516583      -0.10511442      -1.71591629
O        2.77805000       3.38194000       5.08396000       0.56508979       1.76908138       0.14642832
O        4.47774000       2.31842000      14.56675000      -0.18094428       2.28952335       1.12518008
O        1.70820000       2.48797000      14.74472000       0.42010673       0.39151019      -0.96407570
O        2.97807000       0.11942000      14.88596000       0.34682707      -0.60120598      -2.79480647
O        1.39899000       4.12758000      24.29745000      -1.22130609       0.49915431      -0.16552236
O       -1.52860000       4.27832000      24.35894000       0.82584252      -0.84587758      -0.21975522
O       -0.14922000       1.98138000      24.12421000       0.14931912      -0.46805895       1.55470207
O       -2.87110000       5.07488000      21.77591000      -0.87441568       1.40165032      -2.10209828
O        2.81727000       1.62005000       2.55991000      -0.32777804       1.10831136       2.00517879
O        0.06436000       3.33998000      12.01723000      -0.01397822       0.88609411       0.05755998
O        2.72131000       4.97458000       7.14292000       1.44296113       0.88695534       2.13411269
O        3.10410000       1.73805000      16.82468000       0.44062838       0.96641626       0.80832960
O        0.03119000       3.34790000      26.50844000      -2.22014378       0.83347497      -0.54960853
O        5.81307000       0.04853000       0.53466000      -0.26213844      -0.72660402       0.15123728
O        3.01082000       1.80853000       9.94798000      -0.16430682      -1.36962908      -0.46180784
O        0.06136000       3.50403000      19.69429000      -0.48005890      -0.56271945      -1.25250493
O        0.12316000       1.64180000      16.90615000      -0.94441767      -1.12016265       0.54338209
O        1.59868000       4.32732000      16.72518000       1.76236010      -0.13307496       1.82644636
O       -1.37279000       4.43650000      17.06069000      -1.04870139      -1.22307665      -0.99117563
O        2.83743000       3.27329000      26.50049000       0.45797128      -0.88938642       0.05721609
O        1.64425000       0.92337000      26.43512000      -0.90775063      -0.78527812       1.83455917
O        4.24614000       0.86029000      26.52193000      -0.00118341       0.77366975      -0.34575302
O       -0.19517000       4.86233000       7.25611000       1.18894251       0.95285313       1.03070474
O       -1.28313000       2.51469000       7.33943000       0.06725866       0.00507321      -0.14597492
O        1.27267000       2.54730000       7.28132000       2.08177281       0.36333153       0.85422167
Zn       0.03931000       0.03040000      27.14507000      -0.59514632      -0.24129312       0.30477594
Zn       3.13221000       1.61145000       8.04015000      -1.30796159      -0.47605805      -0.47140981
Zn       0.21137000       3.38325000      17.70212000      -0.61911406       0.16200042       0.33011553
Zn      -0.03048000       0.17904000      23.60318000      -0.63583432      -1.09162223       0.86077301
Zn       2.82205000       1.60954000       4.58691000       0.72061568      -1.12111097      -0.98788390
Zn       0.05171000       3.25564000      13.98555000       1.35888694       1.63850441      -0.06041782
Zn      -0.00877000       0.06503000      13.27570000       0.47036422      -0.14003134      -0.16211276
Zn       3.02695000       1.65192000      22.96653000      -0.56608649       0.32642471      -0.41936223
Zn      -0.20418000       3.20431000       3.73895000       0.38595745       1.21254110       0.29552614
Zn       0.03950000       0.06819000       9.37942000      -0.94959918      -0.84895876      -1.14264085
Zn       3.07072000       1.56233000      18.89824000      -0.38563136       0.99939265      -0.46221388
Zn      -0.10633000       3.63719000      28.42681000       0.41692516      -1.21769633      -0.07523646
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.77662991 magmom=72.0038045 free_energy=-552.77740806 stress="-0.038560534062188206 0.004563776443291864 0.0132438233429002 0.004563776443291864 -0.03733005224488669 -0.001353185186860018 0.0132438233429002 -0.001353185186860018 -0.04492970136716652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52747000       0.83633000      16.01065000       1.39380035       0.60226482      -2.09832112
Cr       4.52400000       0.76924000      15.72080000      -0.59901271       0.06419189       1.04500217
Cr       3.02619000       3.43423000      15.84739000       1.53482786       0.04965290      -0.10510298
Cr       4.24944000       2.48694000      25.43325000       1.43191041       1.13395227      -1.92041481
Cr       1.41024000       2.62309000      25.39354000      -1.26416777      -2.02396779      -0.96829327
Cr      -0.03609000       5.10818000      25.31781000      -1.43337087       0.40630750       1.44177327
Cr       1.33200000       4.12161000       6.13479000      -0.32937199       1.49716604       0.97061712
Cr      -1.69006000       4.15308000       6.30079000       1.79368878       0.71224033       0.21026477
Cr      -0.07707000       1.69517000       6.10400000       0.85571776      -0.76152319       1.51535725
Cr      -2.88202000       5.09052000      18.24902000       0.38242701      -0.70135765      -1.03917375
Cr       3.05602000       1.74460000      27.83543000      -1.76048691      -1.75617152       0.11235012
Cr       0.06949000       3.47922000       8.63315000       0.53067184      -2.25675688      -1.69148198
Cr       2.87692000       5.07392000       3.90133000      -0.80895701      -0.81234930      -1.79705726
Cr       3.00131000       1.70039000      13.49427000       1.78378897      -0.43130589      -3.87036813
Cr      -0.00668000       3.58889000      23.00234000      -1.41479138      -3.00683912       0.17007917
Cr       0.09154000       1.81136000      20.71609000       0.07805032      -1.43272347      -1.32201352
Cr       1.54138000       4.41273000      20.68441000       0.32511004      -1.72833418      -0.07414092
Cr      -1.43009000       4.21836000      20.67410000      -1.56872809       1.61589373      -2.64756433
Cr       2.87782000       3.35142000       1.50005000      -1.02358391       3.03217020       4.17370447
Cr       1.38299000       0.90432000       1.51291000       0.61784969      -1.58135826       3.00960878
Cr       4.34220000       0.90492000       1.63207000       0.58227464      -2.68134227       1.95845395
Cr       2.92487000       0.09699000      10.94508000       2.64720556      -0.48848083       1.01240671
Cr      -1.37116000       2.57055000      10.98139000      -2.64537679       1.50892106       3.11864655
Cr       1.47600000       2.62646000      11.09820000       2.58081387       0.78308054      -1.07406480
O        1.32247000       0.89670000      19.43164000       0.72985059      -0.82232602       0.75230468
O        4.72481000       0.76634000      19.38409000      -1.89122829       1.21903971       1.82383611
O        2.93641000       3.48575000      19.48393000       0.47147417       0.94150909       0.61608221
O        4.26600000       2.50950000       0.63451000       1.87089318      -0.03489645      -3.48708456
O        1.57178000       2.43690000       0.44126000      -0.59712791       0.81811607      -2.51834499
O        2.96202000       0.15638000       0.47666000      -0.47376491       0.73567352      -1.02198170
O        1.35091000       4.17103000       9.86622000       0.54522235       1.00707591      -0.01747928
O       -1.17507000       4.16974000       9.84188000      -2.86158144       1.30516023      -0.18985341
O       -0.02806000       1.91215000      10.00592000       2.81508799      -1.41960315      -2.82883831
O        1.81637000       1.08288000      12.08691000      -2.46567275      -1.43826802       2.24482338
O        4.39118000       0.92402000      11.99317000       0.20550851      -0.24993677       2.14561989
O        3.06982000       3.33894000      12.22269000      -0.21813678       0.09190486       0.54735550
O       -1.32477000       2.73184000      21.78787000      -0.34976934      -1.87081486       0.95085178
O        1.35656000       2.62193000      21.86837000       0.89508229       1.49374449       0.73026209
O       -0.14340000       5.03315000      21.78931000       2.54825635       1.83080146       0.29517080
O        1.48051000       4.22511000       2.62628000      -0.15901348       0.86912433       0.09315253
O       -1.70514000       4.39770000       2.74672000       1.32692331      -1.27477721      -1.29929560
O       -0.10461000       1.50647000       2.77469000       0.35253994       1.06442372      -1.40105419
O        1.27633000       0.62628000       5.09573000       0.07717558       0.72143417       0.81589415
O        4.48863000       0.68150000       5.01462000      -1.67020563       1.20880525       1.30080174
O        2.80907000       3.60412000       5.08529000       0.64014365      -2.77959456       0.14655579
O        4.47215000       2.32019000      14.63332000      -1.08129337       1.15680033       0.73914716
O        1.82092000       2.57496000      14.62778000      -1.91618263      -0.31495451       1.85162861
O        2.95088000       0.09146000      14.72058000      -0.15490934      -0.06495262       0.22120867
O        1.25207000       4.23864000      24.27480000       2.08533617       0.20283718      -0.36462971
O       -1.51466000       4.07205000      24.26649000      -0.00713476       2.00912024      -0.03604036
O       -0.27104000       1.98916000      24.22157000       2.16425535      -0.94649442      -0.27755933
O        0.15668000       0.02614000      21.66114000      -1.59324767       0.70980967       0.83265579
O        2.83014000       1.80946000       2.70349000       0.37367403      -1.11675307      -2.76197243
O        0.16708000       3.44105000      12.13772000      -1.81685244       0.76088582       0.00082250
O        2.82580000       4.98933000       7.39063000      -0.25329641       0.59112044      -1.54760269
O        3.08765000       1.79884000      16.89558000      -0.53240637      -1.03719261      -0.44264437
O       -0.09031000       3.30486000      26.41857000      -0.29073417       1.05089962       0.28796684
O       -2.86572000       5.01601000       0.52374000      -1.45886540       0.99571823      -1.60942434
O        3.03995000       1.84304000       9.91723000      -0.68142275      -0.58839452       0.47179108
O        0.14166000       3.51762000      19.67281000      -0.68133082      -0.34427831       0.37756905
O       -0.05205000       1.54256000      16.94188000       1.23228326       0.19316477       0.64722121
O        1.64070000       4.34470000      16.92220000       0.77857237      -0.61134070       0.36320595
O       -1.43894000       4.32229000      17.07000000      -0.79113782      -0.00903435      -0.24735320
O        2.82036000       3.14174000      26.51013000       0.65064383       2.08244843       1.20155765
O        1.57597000       0.90290000      26.38012000       0.35768035       0.51103419       0.81733861
O        4.33589000       0.90720000      26.48111000      -0.68541866      -0.93367398       0.74468515
O       -0.08605000       4.90713000       7.25584000      -0.14045956       0.06081898       0.44017328
O       -1.26548000       2.55450000       7.33418000      -0.79011184       0.30516849       0.44483389
O        1.37575000       2.58204000       7.29511000      -0.54153453      -0.62455252      -0.05671361
Zn      -2.86537000       5.09958000      27.18074000      -0.48211117      -0.11007084       0.17222124
Zn       3.11033000       1.59096000       8.06125000      -0.88696132       0.17920531      -0.92163605
Zn       0.23214000       3.36026000      17.81892000      -0.78086455      -0.28215353      -1.54982907
Zn      -0.05454000       0.17791000      23.62655000       0.52900706      -0.72511030      -0.02467601
Zn       2.76766000       1.67952000       4.52204000       0.64150265      -0.16445815       1.44325850
Zn       0.08183000       3.24208000      14.06802000       0.45314504       1.29694276      -0.60138556
Zn       5.82153000       0.05367000      13.34017000       0.16067021      -0.58910266      -1.29288326
Zn       3.07028000       1.65538000      22.94096000      -0.69749536       0.66258147      -0.58586498
Zn      -0.22096000       3.23893000       3.71500000       0.42853020       1.13796584      -0.00321151
Zn       0.01082000       0.06340000       9.31133000       0.23064805      -0.35904222       0.42746569
Zn       3.01646000       1.58960000      18.83382000       0.20021047       0.55576826       0.17717564
Zn      -0.09610000       3.52004000      28.35078000       0.49566484      -0.80065740       0.83245392
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.69448618 magmom=71.9994477 free_energy=-553.69448618 stress="-0.020724155775922303 -2.0225098518676375e-05 0.007091477320600783 -2.0225098518676375e-05 -0.035779033382335075 0.0071606908009127284 0.007091477320600783 0.0071606908009127284 -0.03456810598843061" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50012000       0.76464000      15.98622000       0.24114507       0.95391711      -2.84980445
Cr       4.49774000       0.67910000      15.80314000      -0.93215281       1.71970663      -0.34704393
Cr       3.07090000       3.37619000      15.96591000      -1.68283138      -0.67051597      -2.02395030
Cr       4.23471000       2.51656000      25.45384000       2.17936576       0.93944993      -2.06916759
Cr       1.51944000       2.65716000      25.28137000      -1.31628102      -0.56833246       1.90989529
Cr       2.87366000       0.07284000      25.37446000      -0.46455680      -1.19396447      -0.78204301
Cr       1.31508000       4.15046000       6.15443000       1.24215228       0.41416667      -0.40198557
Cr      -1.60605000       4.21742000       6.31470000       0.94059354       1.58855093      -1.28817347
Cr      -0.24648000       1.67472000       6.19529000       2.10005274      -0.09933168      -0.39284101
Cr       0.06334000       0.02315000      18.29658000      -0.58041545      -0.70098090       1.52145661
Cr       3.08780000       1.65723000      27.81169000      -2.30774364       1.24894630      -1.17995344
Cr       0.09871000       3.43311000       8.64796000      -0.48084708       0.43196724      -0.85313702
Cr       2.81488000       5.04555000       3.78570000       0.35533657      -0.09871366       1.78314520
Cr       2.91945000       1.63013000      13.36688000       1.09341236       2.08667071       1.75941913
Cr       0.06025000       3.44288000      22.95179000      -1.13498900       0.53793430       1.75688648
Cr       0.19346000       1.72238000      20.60662000      -1.77431689       2.09561273       1.93244999
Cr       1.62022000       4.32780000      20.67342000      -2.91507029       0.66228089       1.57246091
Cr      -1.40067000       4.25659000      20.65836000      -0.33862897       0.10743976       1.44875454
Cr       2.93218000       3.44231000       1.45040000       0.14244247      -0.76968438      -0.33113350
Cr       1.48286000       0.91684000       1.55828000      -2.29038408      -1.10023536      -1.19558011
Cr       4.34310000       0.80185000       1.57086000       0.92659913       0.53960627      -1.84449713
Cr       3.00063000       0.14377000      10.98814000      -0.76165211      -0.83116497       0.92961461
Cr      -1.39712000       2.65241000      11.16839000      -0.80392171       1.02343334      -2.00955409
Cr       1.40766000       2.67560000      11.06950000       2.34100325      -1.13275291       1.07616457
O        1.37225000       0.79405000      19.52548000       1.79337556      -0.77647718      -1.68158399
O        4.49484000       0.90714000      19.63910000       1.75249418      -0.71420393      -1.76172185
O        2.91502000       3.56872000      19.55332000       1.72107381      -0.53969725      -1.21713688
O        4.43993000       2.47928000       0.45078000      -2.30675233      -0.94758570       0.36521227
O        1.55141000       2.39366000       0.23287000       0.70908038       0.99891267       1.23243089
O        2.79068000       0.21481000       0.32888000       1.60145705      -2.18120920       0.97602813
O        1.44433000       4.26046000       9.99432000      -0.93449557       0.14800989      -1.17220231
O       -1.28748000       4.34513000       9.78199000       0.78801374      -0.98481520       1.03780634
O        0.08947000       1.94492000       9.78791000      -0.69608301      -0.53806332       1.72616750
O        1.56859000       0.99097000      12.19060000      -0.35118277       0.00328957      -0.36522777
O        4.47411000       1.00979000      12.16324000      -1.07707436      -0.46593180       0.68934187
O        3.05879000       3.34719000      12.31127000      -1.05279340      -0.33367424      -0.22286978
O       -1.15168000       2.49863000      21.73002000      -1.39724100       1.75284507       0.81009855
O        1.52817000       2.80038000      21.93851000       0.58202117      -1.34442659      -1.21716979
O        3.00173000       0.02720000      21.86935000      -0.27345316      -1.49837552      -0.97039168
O        1.49594000       4.28380000       2.57055000      -0.43041563      -0.99174721       0.54437135
O       -1.61643000       4.28712000       2.70119000      -0.36764274       0.55212893      -0.40347790
O       -0.08180000       1.49612000       2.68293000       0.05244311       0.92845945      -0.11220149
O        1.10671000       0.82603000       5.02725000       0.47981111      -0.80331242       0.68875178
O        4.29399000       0.74823000       5.03015000       1.06390701      -0.76302339       0.49178605
O        2.93267000       3.49327000       5.13628000      -0.83886985       0.84778688      -0.20666293
O        4.27170000       2.54725000      14.81655000       1.92672228      -1.90350096      -1.61810582
O        1.72425000       2.51655000      14.78234000      -0.70904868      -1.10388953      -0.08757079
O        2.92010000       0.10877000      14.56695000       0.35351358      -0.36957651       1.80613447
O        1.32770000       4.33694000      24.21400000      -0.48069279      -0.79082610       0.60104086
O       -1.41780000       4.15949000      24.19417000      -0.33459355       0.28214259       0.05257151
O       -0.02673000       1.90539000      24.33210000      -0.05734626       0.47943149      -0.69240002
O        0.00198000       0.16052000      21.58200000       2.00097084      -1.80589913       2.19883266
O        2.92281000       1.78593000       2.42223000      -0.03385424      -0.36659706       2.49131024
O       -0.00603000       3.63460000      12.12146000       0.53719509      -1.22870520       0.22782474
O        5.87014000       0.01279000       7.30737000      -1.30808633      -0.09996887      -0.56671834
O        2.97656000       1.66985000      16.83246000       0.57140958      -1.15169137       1.34571879
O       -0.29474000       3.47821000      26.35166000       2.01987754       0.08688471       0.71686498
O        2.92909000       5.04021000       0.41754000      -0.24677359       1.33254511       2.05745141
O        2.96611000       1.76525000      10.03107000       0.31650055       1.42269234      -0.56308545
O        0.09506000       3.46181000      19.71938000       0.29458244       0.24345428      -0.98467318
O       -0.04138000       1.46144000      17.02918000       0.75827154       1.16287992      -0.36220276
O        1.80867000       4.26705000      17.11992000      -2.58836707      -0.15827887      -0.81164198
O       -1.59227000       4.22999000      17.01133000       2.39569483       1.06463118       2.01354407
O        2.87603000       3.28377000      26.64825000       0.10873040      -1.11766500      -1.51815991
O        1.60254000       0.98475000      26.49414000       0.15070342       0.70646102      -0.27044215
O        4.27781000       0.83095000      26.51612000       0.41548519       0.49630790      -0.12990203
O        0.02514000       4.90477000       7.35301000      -0.83661496       0.35352005      -0.24876850
O       -1.34139000       2.67573000       7.38947000      -0.66159306      -0.46108007       1.18286051
O        1.35075000       2.56453000       7.27923000      -0.53557396      -0.28082552       0.32826308
Zn      -2.84527000       5.05628000      27.20473000      -0.02594588       1.24429031      -1.24218306
Zn       3.03439000       1.58113000       8.03762000      -0.74299321       0.92570106       0.30157410
Zn       0.21013000       3.32397000      17.86443000      -0.55804629       0.02644992      -1.44377255
Zn      -0.05457000       0.13453000      23.65988000       0.92665808      -0.44180348      -0.68811466
Zn       2.74517000       1.73540000       4.49955000      -0.36969571      -0.64785457      -0.83658076
Zn       0.13061000       3.29688000      14.12983000      -1.10507793       0.24558007      -0.39817985
Zn       5.76330000       0.01392000      13.36056000       0.87279011      -0.26931286      -0.37383817
Zn       3.07794000       1.69417000      22.90197000      -0.18292907       0.58057514      -0.16614245
Zn      -0.21161000       3.33336000       3.69858000       0.52519525      -0.10480150      -0.01287105
Zn      -0.00537000       0.03353000       9.25641000       0.56611961       0.43677638       0.04938009
Zn       2.97334000       1.65468000      18.78224000       0.13162014       0.61011536       0.72295218
Zn      -0.05754000       3.35668000      28.30037000       1.30920688       1.06894220      -0.43370130
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.27880047 magmom=72.0014196 free_energy=-552.27880047 stress="-0.030756738982618916 -0.005349417816195861 -0.006031042286196366 -0.005349417816195861 -0.030816373718739513 0.00015848062985291566 -0.006031042286196366 0.00015848062985291566 -0.03849486182690902" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46940000       0.71729000      15.85845000      -0.50494505      -1.70562755       1.64461917
Cr       4.43352000       0.68578000      15.88738000       1.19772546       0.68386261      -0.07460692
Cr       3.05818000       3.29891000      16.01007000      -0.63928813      -0.45062507      -0.00388357
Cr       4.34389000       2.59522000      25.41182000       2.15499041      -0.35104576      -1.67183828
Cr       1.55811000       2.65429000      25.28862000      -0.09617237       0.84533319       1.31050702
Cr       2.81079000       0.10481000      25.41562000       1.80193873       0.06980041      -2.33822583
Cr       1.35264000       4.19679000       6.16848000       0.12287559      -0.93905543       0.12002981
Cr      -1.47265000       4.35556000       6.26676000      -1.88203635      -0.74566528      -0.87657194
Cr      -0.29589000       1.67806000       6.26714000       0.44208282       2.22697235      -0.91438981
Cr       0.03933000       0.03769000      18.41544000       0.74799519      -0.70833828      -3.08445724
Cr       3.01453000       1.63279000      27.74837000      -1.27950235      -0.07078464      -0.69108246
Cr       0.09388000       3.39317000       8.62055000      -1.83916685       0.94145028       1.82401515
Cr       2.77358000       5.01838000       3.76281000       1.04207435       1.61210112       1.62562645
Cr       2.88526000       1.65918000      13.34878000      -1.78554501       0.11961990       5.40315537
Cr       0.07374000       3.31754000      22.98956000       1.41823913       2.73143586       0.29855754
Cr       0.18069000       1.70372000      20.58076000       0.16332357       0.47924408       2.49765804
Cr       1.58813000       4.28928000      20.70097000       0.94248325       0.82302315      -0.23950957
Cr      -1.39602000       4.30281000      20.68401000       1.92671901      -1.80542568       1.57176344
Cr       2.97002000       3.46915000       1.38935000      -0.34582507      -2.41433984       0.28853259
Cr       1.47437000       0.86021000       1.54983000      -0.16218329       0.64127867      -1.27448450
Cr       4.35893000       0.74001000       1.40947000      -2.05728371       1.81884150       2.28570235
Cr       3.04206000       0.15289000      11.08128000      -1.79088961       0.00198545      -0.00750599
Cr      -1.49795000       2.78721000      11.26410000       0.13476458      -1.17994665      -2.86424788
Cr       1.47813000       2.66468000      11.09367000      -1.67254765      -0.67613733       0.03177175
O        1.67117000       0.57669000      19.40354000      -2.54021841       1.80573242       0.85511602
O        4.60930000       0.91278000      19.63161000       0.48270611      -0.75022161      -0.99658427
O        3.13449000       3.57832000      19.50543000      -1.28830271      -0.58675039       0.40380166
O        4.30724000       2.32828000       0.24892000       1.02929842       1.60979001       1.30769373
O        1.68247000       2.52866000       0.22894000      -0.25815383      -0.60172409       1.22572227
O       -0.10092000       5.08705000       0.30918000       0.08133517       1.18603191       0.25333415
O        1.33268000       4.33544000       9.92925000       1.07467570      -0.53049042      -0.54381858
O       -1.27448000       4.34296000       9.93741000      -0.06476138      -0.56840908      -0.18931114
O        0.15130000       1.92598000       9.83043000      -0.96710530      -0.32379129       0.84045368
O        1.33498000       0.94262000      12.26870000       1.80894054       0.60749129      -0.46468360
O        4.31809000       1.06193000      12.39538000       1.05335502      -0.77279348      -2.20804939
O        2.86393000       3.26216000      12.32437000      -0.01830074       1.64619242       0.17220106
O       -1.16375000       2.57545000      21.81403000      -0.98633288      -0.52890088      -0.73149607
O        1.67488000       2.76862000      21.81699000      -1.31312361      -2.11707893       0.44291768
O        0.21648000       4.94593000      21.80009000      -1.76907094       0.81084733       1.02201829
O        1.51617000       4.24309000       2.58206000      -0.38875923      -0.60947435      -0.16079482
O       -1.63881000       4.29092000       2.55287000       0.09160652       0.40393610       1.51133044
O       -0.05794000       1.58315000       2.53897000      -0.39074032      -0.16494353       1.47034747
O        1.02171000       0.86269000       5.09769000       1.70612131      -0.36217803      -0.88123122
O        4.29849000       0.70388000       5.16917000      -0.25390896       0.76817852      -1.69177151
O        2.92483000       3.53895000       5.17962000      -0.08459428      -0.08151323      -1.04737107
O        4.30814000       2.42546000      14.77718000       0.09299036      -0.29198211      -0.39991839
O        1.53470000       2.28680000      14.92345000       0.96926648       2.51923455      -2.13186982
O        2.96233000       0.13623000      14.72997000       0.09138941      -1.04180551      -1.09338495
O        1.31848000       4.25721000      24.27802000       0.13372102       0.82016835      -0.29810489
O       -1.32415000       4.28992000      24.16708000      -0.39772770      -1.32983974       0.53053107
O        0.19638000       1.90893000      24.29557000      -2.46074225      -1.20520189      -0.38189198
O        0.14888000       0.02121000      21.76901000      -0.11297091       0.62509655      -1.62271655
O        2.98636000       1.66985000       2.44771000      -0.62107671       0.74332351       1.00507539
O       -0.06485000       3.60155000      12.10213000       1.82206481      -0.18231654       1.62142732
O        5.76047000       0.05084000       7.09070000       0.23020520      -1.64275014       3.31614691
O        2.96075000       1.37311000      16.90534000       0.40653669       2.04876042       0.13530455
O       -0.16957000       3.62289000      26.35447000       0.54469699      -2.15787734       0.80581816
O        5.80067000       0.13416000       0.57642000       3.23671679      -2.17440486      -3.66045638
O        2.94577000       1.87670000      10.11261000       0.77764811      -0.27777659      -0.76661618
O        0.08879000       3.43303000      19.71083000       0.68448874      -0.38163474      -0.38000543
O        0.09276000       1.52216000      17.03494000      -0.96472321      -1.19912052       0.00750603
O        1.62776000       4.20883000      17.13136000       1.75853118       0.99803321      -0.62551057
O       -1.46019000       4.27286000      17.17932000      -1.71124173      -0.41116639      -1.31065916
O        2.94591000       3.26061000      26.49731000       0.54692486       0.80797060       0.72902936
O        1.63980000       1.17977000      26.51808000      -2.05086141      -2.26198966      -0.05495926
O        4.27965000       0.81893000      26.50209000       0.77618965       1.09983390      -0.32186307
O       -0.00370000       4.90946000       7.36921000      -0.02000201       1.09960991       0.14501115
O       -1.48102000       2.77232000       7.56882000       0.40437262      -0.43078614      -1.32376144
O        1.18256000       2.54286000       7.27977000       1.20334155      -0.29873601      -0.00462523
Zn      -2.83422000       5.07358000      27.18115000      -0.34001674       0.77816557      -0.17156538
Zn       2.91566000       1.61884000       8.02809000      -0.47236337       0.80037451       0.74886589
Zn       0.14913000       3.28705000      17.82359000      -1.10250948       0.14602836      -0.60344565
Zn      -0.01263000       0.06715000      23.66351000      -0.40914545      -0.11095706       0.14970764
Zn       2.71191000       1.75673000       4.44660000       0.12467790      -0.53847460      -0.32327302
Zn       0.13003000       3.36867000      14.17345000      -0.83998972      -0.20052121      -0.11284050
Zn       2.79813000       5.07004000      13.37283000       0.67217017       0.29431198       0.29199955
Zn       3.07449000       1.75890000      22.85987000       0.18558221      -0.29361678      -0.34875490
Zn      -0.17295000       3.42805000       3.69128000       0.29688523      -0.45912643      -0.30804390
Zn       0.00912000       0.02563000       9.21272000       0.46299551       0.38925151       0.16020696
Zn       2.94718000       1.75893000      18.76711000       1.37370869       0.58321409       0.82212848
Zn       0.03473000       3.24132000      28.23956000      -0.33622634       0.34881951       0.32454873
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.130064 magmom=71.9985753 free_energy=-552.13057735 stress="-0.03317198785703315 -0.009431621772420263 -0.010723809077566588 -0.009431621772420263 -0.032765256219871565 -0.0022929381956439047 -0.010723809077566588 -0.0022929381956439047 -0.04606657467211496" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40509000       0.60153000      15.80808000       0.59827149       0.89584690       0.45519117
Cr       4.44250000       0.73864000      15.97683000       1.13166553      -0.36134920      -2.16063445
Cr       2.99516000       3.20770000      16.05972000      -0.15212738       0.31611163      -1.92790976
Cr      -1.33516000       2.64223000      25.31633000      -1.51555383      -2.31889792       0.90324809
Cr       1.57553000       2.67189000      25.38324000      -0.57984303      -0.68341391      -1.17463399
Cr       2.85947000       0.14176000      25.38425000       1.44952619      -0.53847763      -0.94023135
Cr       1.39382000       4.20108000       6.18893000      -0.78055137       0.34609169       0.61550532
Cr      -1.44068000       4.45157000       6.17221000      -2.05043145      -2.55289646       1.37571568
Cr      -0.29741000       1.77909000       6.28817000       0.31064269      -1.51468283      -0.78819517
Cr       0.07977000       0.00275000      18.43345000       1.17619833      -1.56652573      -4.32995071
Cr       2.89643000       1.59474000      27.65436000       1.27321200       1.09130717       0.96600698
Cr      -0.02324000       3.40668000       8.69236000      -0.30113193       0.45797456       0.88298205
Cr       2.78994000       5.08950000       3.82850000      -0.26135745       1.24881874      -1.11291524
Cr       2.79204000       1.70889000      13.60503000       2.60876284      -0.88337410      -3.59786381
Cr       0.14471000       3.33668000      23.03804000      -0.41662603      -0.25560561      -0.96455818
Cr       0.15482000       1.67875000      20.64411000       0.20390039      -0.43291478       0.52481340
Cr       1.60624000       4.30340000      20.69594000       0.86205026      -1.38356841       0.04290362
Cr      -1.29886000       4.25243000      20.75313000       0.24276903      -0.99295399      -2.31115036
Cr       3.01444000       3.36917000       1.36239000      -0.02921670       1.77691026       3.59928141
Cr       1.44921000       0.83870000       1.46220000      -0.00182386       0.30208532       2.02075566
Cr       4.30912000       0.77911000       1.29807000       2.92709672      -0.82236704       4.08066166
Cr       2.99319000       0.14270000      11.16980000      -0.01185717      -0.65520114      -0.80846554
Cr      -1.58785000       2.85942000      11.22201000       1.53079686      -3.58496097       1.68587931
Cr       1.46458000       2.60445000      11.12178000      -1.16710685       0.97042582      -0.29657493
O        1.53670000       0.66526000      19.46429000       0.24346860       1.33379003       1.02975626
O        4.73601000       0.82318000      19.50893000      -2.15993586       0.28288183       1.26845497
O        3.19186000       3.51659000      19.53885000      -0.96564391       1.34071439       1.25906992
O        4.24601000       2.41716000       0.27033000       1.27014704      -0.43869903      -1.49865178
O        1.72348000       2.48071000       0.38924000      -1.54604051      -1.31279638      -2.30354301
O       -0.01655000       5.03044000       0.34464000      -0.94210634       1.07851791      -1.66083281
O        1.30867000       4.28778000       9.81522000       0.53673831      -0.20957384       1.06726915
O       -1.21477000       4.22477000      10.07411000      -1.38311462       2.25512394      -2.36488837
O        0.02961000       1.89905000      10.04612000      -0.76527510      -0.08735855      -1.26925365
O        1.49519000       1.03949000      12.27118000       0.11304556      -1.32527662       0.60690710
O        4.16796000       1.04456000      12.28125000       1.35755574       0.74018882       1.28219490
O        2.72228000       3.35678000      12.36671000       1.87602571       0.32344985       0.75098908
O       -1.25980000       2.64326000      21.81771000       0.29759791      -1.37449135       0.42145256
O        1.51004000       2.43897000      21.73284000       0.59581375       1.86685000       1.33584979
O        0.11265000       4.80658000      21.85942000       1.45010262       2.55201945       0.34895830
O        1.55805000       4.15368000       2.56169000      -0.27844375       1.06786365      -0.50078792
O       -1.73393000       4.41994000       2.62783000       1.29451543      -1.26964368      -0.04716152
O       -0.09240000       1.55090000       2.60967000      -0.22658055       0.26142512      -0.92107241
O        1.18447000       0.81194000       5.06867000      -0.78810803       1.32408488      -0.03277351
O        4.36155000       0.73520000       5.07590000      -0.25462890       0.58397482       0.21626195
O        2.88568000       3.65166000       5.07113000       0.43123836      -1.77530404       0.41494933
O        4.38092000       2.19593000      14.66343000      -0.19290846       1.95421091       1.65319416
O        1.55527000       2.34580000      14.79344000      -0.62713769       0.53748794       2.56347892
O        3.00927000       0.06356000      14.79546000      -0.73460122       0.54778305       0.15270969
O        1.29018000       4.26011000      24.32258000       1.45664431       0.76853230      -0.63491449
O       -1.25054000       4.16892000      24.25032000      -0.73829685       1.45141732      -1.15095221
O        0.03859000       1.82029000      24.22488000       0.94622029       0.08289961       0.48358024
O       -2.68193000       5.06973000      21.69099000      -2.30030527       0.64421200       1.10111803
O        2.93911000       1.66396000       2.55314000       0.32731449      -0.08707456      -2.64125232
O        0.13659000       3.49134000      12.27236000      -1.74500858       0.70724151      -0.97347174
O        2.72505000       4.99423000       7.35798000       1.14913301       1.37396477      -2.16183799
O        3.00071000       1.44199000      16.95068000      -1.16230688       0.96684483       0.39895666
O        0.09084000       3.45103000      26.36910000      -0.32298405       0.83349874      -0.30952150
O        0.16678000       0.01442000       0.30136000      -1.97517685      -0.57891428       2.21760981
O        3.02271000       1.94509000      10.08270000      -0.84320205      -1.05080488      -0.71515625
O        0.22412000       3.34684000      19.67824000      -0.45980881       0.65394011      -0.65825297
O        0.08103000       1.38662000      17.00367000      -0.40200097       1.25888562       0.74297405
O        1.69645000       4.28901000      17.02466000      -0.66309676      -1.60269570       1.78558475
O       -1.60297000       4.24693000      17.10289000       0.66774651      -1.13888624      -0.06103921
O        3.09536000       3.28320000      26.39223000      -0.80031660       0.10516438       1.06855446
O        1.38662000       1.06407000      26.45861000       3.53071541       0.58857606      -1.02533589
O        4.38070000       1.01587000      26.39100000      -1.13691976      -0.82718066       0.47895782
O       -0.05672000       5.02305000       7.35538000       0.38308514      -0.41292663       0.17630364
O       -1.48418000       2.80216000       7.47802000      -0.11371614      -0.51475782      -0.90033291
O        1.14729000       2.53534000       7.30109000       0.56516122       0.63939093       0.34211815
Zn       0.10448000       0.02565000      27.13857000      -2.26299586      -1.42117904      -1.41052194
Zn       2.76699000       1.70885000       8.06083000       0.81553404       0.67194027       0.75039801
Zn       0.03400000       3.25908000      17.73387000       0.23967503       0.45761715      -0.68152993
Zn      -2.92905000       5.09698000      23.66442000       0.11489742      -0.28530638      -0.31778097
Zn       2.68040000       1.74883000       4.38266000       0.97001950       0.46833424       1.08660355
Zn       0.07592000       3.42908000      14.20460000      -0.77047079      -1.45741747      -0.84235163
Zn       2.82312000       5.03162000      13.40365000      -0.03938688       0.90186684      -0.58451245
Zn       3.07798000       1.81548000      22.81173000      -0.12919429      -0.47833890       0.04515544
Zn      -0.11285000       3.50312000       3.67984000       0.06765839      -0.46308763      -0.50433892
Zn       0.04695000       0.04211000       9.17712000      -0.07239273       0.21739830       2.23013078
Zn       2.98539000       1.88526000      18.79518000       0.04003139      -2.12056154       0.37866940
Zn       0.12948000       3.15135000      28.20004000      -0.98524540       0.53180126       1.77399662
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.23370312 magmom=72.0948812 free_energy=-551.23896025 stress="-0.05046918716715805 0.009528155099640312 0.004433688120135625 0.009528155099640312 -0.039907315398269985 0.00012117396888681403 0.004433688120135625 0.00012117396888681403 -0.039672895150761646" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35123000       0.52457000      15.82757000       0.44076740       2.97411401       0.48361210
Cr       4.51495000       0.75659000      15.98747000      -2.02054800      -1.32130993      -0.24163369
Cr       2.90441000       3.16118000      16.01871000       0.43763803       2.54130132      -0.96098446
Cr      -1.21650000       2.57841000      25.27833000      -3.46076868       1.30283636       0.96511916
Cr       1.61914000       2.64084000      25.43509000       1.04371884       0.47992262      -3.98866123
Cr       3.01499000       0.18757000      25.34641000       0.69811414      -2.95277446      -3.69118422
Cr       1.39120000       4.22493000       6.24061000      -0.40369754       1.07898629      -0.84631976
Cr      -1.52814000       4.40607000       6.14578000       0.01845125      -1.19021023       0.54231975
Cr      -0.25827000       1.81320000       6.25273000       1.83886346      -1.43791507      -1.37801170
Cr      -2.77850000       5.01021000      18.31450000      -1.37110964       1.32393565       1.70545754
Cr       2.85605000       1.56873000      27.57022000       2.61717229       2.29829008       2.31812374
Cr      -0.16937000       3.45349000       8.80568000       1.16257559       0.46335448      -3.36528986
Cr       5.75704000       0.11225000       3.83168000       0.21263348      -1.65270863      -0.52600077
Cr       2.83291000       1.72221000      13.71153000       1.85729494       0.56329656      -2.84124351
Cr       0.20236000       3.38279000      23.03499000      -1.59271358       0.60844328       0.45778294
Cr       0.12302000       1.61855000      20.71239000      -1.76748024       1.35268502       0.19565174
Cr       1.68115000       4.25846000      20.66256000      -3.92874908       0.07447486       2.05957947
Cr      -1.19145000       4.16095000      20.72723000      -1.10067616       2.40649174       0.42391029
Cr       3.05847000       3.33923000       1.49537000      -0.36052967       0.67398585      -1.40254729
Cr       1.42938000       0.81709000       1.43706000      -0.44699623      -2.02608651       0.11614604
Cr       4.37444000       0.79882000       1.35092000       1.25136512      -1.01594513      -1.23559598
Cr       2.94843000       0.09962000      11.21456000       1.33605504       0.06850939      -1.85289080
Cr       4.30507000       2.74676000      11.22505000       0.34545895      -0.52133999      -0.11153786
Cr       1.36833000       2.58128000      11.14136000       1.52824550       0.23497869       0.12755018
O        1.41334000       0.94133000      19.62415000       1.87695012      -2.66383948      -2.34046495
O        4.49391000       0.77208000      19.54308000       1.99764115      -0.17580195      -0.66929355
O        3.10279000       3.64426000      19.71873000       2.06186870      -1.70695152      -2.76213117
O        4.38588000       2.47943000       0.19091000      -1.59896126      -1.32664676       0.77984193
O        1.59026000       2.22197000       0.21995000       1.29472771       1.47090406       0.37759643
O        2.89212000       0.09196000       0.16406000       0.48957986      -1.19812565       0.47167384
O        1.32563000       4.15380000       9.92208000      -0.42045509       0.51105112       0.44573215
O       -1.39155000       4.38522000       9.92735000       0.78304888      -0.81272918       1.97084849
O       -0.19705000       1.93763000      10.07935000       0.80520629      -0.40965802      -0.61843261
O        1.73505000       1.00222000      12.33099000      -2.93042005      -0.10080979       0.55071424
O        4.22085000       1.10794000      12.28843000       0.78350769      -0.68599114       1.35875456
O        2.92118000       3.41011000      12.47078000      -0.71860813      -0.95425502      -0.48658323
O       -1.23821000       2.54583000      21.82220000       0.22765136       0.75769397       0.11421424
O        1.38208000       2.46772000      21.88933000       2.14811518       0.97068570      -0.69555981
O        0.16306000       5.01067000      21.93890000       0.19309436      -0.71770155      -1.30735870
O        1.60090000       4.29408000       2.47945000      -0.84396060      -0.53114300       1.14809116
O       -1.65475000       4.37828000       2.73622000       0.48869427      -0.36362647      -0.38763573
O       -0.15072000       1.50714000       2.55275000       0.93035304       1.63829009      -0.22645232
O        1.18459000       0.90645000       5.08443000      -0.43733561       0.24445388       0.06259039
O        4.41282000       0.86158000       5.02452000      -0.75260265      -0.36313358       0.66320414
O        2.88839000       3.55585000       5.02656000      -0.35257298       0.93276132       0.54120300
O        4.35576000       2.30328000      14.84306000      -0.08290664       0.97960448       0.03490655
O        1.54451000       2.50073000      14.99158000      -1.89434589      -1.81824077      -1.78191593
O        2.92577000       0.11693000      14.85626000       0.67640956      -0.69394779      -0.57971664
O        1.42810000       4.33673000      24.26420000      -0.55884877      -1.33179697       0.68310867
O       -1.22540000       4.21568000      24.19041000       0.71072303       0.05885167       0.23925071
O        0.04916000       1.76505000      24.20856000       1.84271337       0.52397015      -0.30518937
O       -2.89136000       5.08885000      21.68285000       1.62850629      -0.51337236       1.07936353
O        2.93595000       1.64058000       2.25596000      -0.09295834      -0.36542685       3.63530434
O        0.05348000       3.50296000      12.21964000      -1.13857505       0.03841565       0.45147334
O        2.84817000       5.05893000       7.26821000       0.04316802       1.13782124       0.12574816
O        2.88910000       1.64236000      16.97581000       0.49327497      -2.87552757       0.79275563
O        0.22422000       3.39909000      26.31957000      -1.66599910       1.42500257       1.12143230
O        3.07441000       4.87553000       0.38894000      -1.24103454       2.12589763      -0.72349422
O        2.96294000       1.82200000      10.03296000      -0.79637297      -0.05525088       1.11411790
O        0.27500000       3.34202000      19.58366000      -1.39542763       0.11226866       0.08689009
O        0.02278000       1.38893000      17.04593000       0.75316122       0.03742391      -0.01495559
O        1.71659000       4.16419000      17.13316000      -0.98479003       0.72109361      -0.01552316
O       -1.64877000       4.06512000      16.93571000       1.41302419       0.97581143       1.38206897
O        3.11263000       3.31872000      26.45541000      -0.26930064      -0.56988976      -0.29947369
O        1.60032000       0.95134000      26.24364000      -1.49196021      -0.30038793       2.02014815
O        4.31363000       1.08214000      26.37685000       1.53282119      -1.47664497       1.11979405
O       -0.06762000       5.01695000       7.34963000      -0.24640844       0.22713839       0.67289915
O       -1.45911000       2.76511000       7.24180000      -1.67433702       0.40980742       2.42059854
O        1.14904000       2.67466000       7.37294000      -0.49666657      -0.23648055       0.64554324
Zn      -0.00705000       0.04229000      27.03054000      -0.03522872      -0.28597888       0.50246307
Zn       2.65590000       1.83401000       8.12490000       1.48694957      -0.66319532      -0.60394278
Zn      -0.07420000       3.25182000      17.61783000       1.60054330       0.20904037       1.02676678
Zn      -2.88379000       5.00259000      23.65208000       1.08708737       0.69975940      -0.66582295
Zn       2.70371000       1.76034000       4.35052000       1.15315171      -0.06938877      -0.51250186
Zn      -0.02354000       3.41976000      14.20035000      -0.08786447      -0.66375831      -0.45843283
Zn       2.85343000       5.04661000      13.43213000       0.00704436       0.99327522      -0.05430822
Zn       3.07511000       1.84526000      22.77954000      -0.13881641      -0.90529031       0.47444383
Zn      -0.04484000       3.55677000       3.64695000       0.05957846      -0.34033347      -0.26051246
Zn       0.07737000       0.07216000       9.23634000      -2.31020058       0.61234042      -0.34272712
Zn       3.03685000       1.92048000      18.86603000      -0.38932981      -1.30986939       1.12258877
Zn       0.16226000       3.09962000      28.23216000      -1.85739220       2.34451530      -0.07705329
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-552.02668126 magmom=72.0005225 free_energy=-552.02668126 stress="-0.03645760408789009 0.017343157189577185 0.007317977292756662 0.017343157189577185 -0.037446909273986584 0.0047575597540513055 0.007317977292756662 0.0047575597540513055 -0.035831670962302935" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32409000       0.60163000      15.91096000       2.51437726       1.82812060      -1.11754842
Cr       4.49069000       0.70158000      15.99265000      -2.47747623       0.45247738       0.34447941
Cr       2.81088000       3.24797000      15.96306000      -0.61142804      -0.43248178       1.48380368
Cr      -1.29400000       2.55318000      25.31615000       1.31686157       1.46067325      -0.64917483
Cr       1.73728000       2.58786000      25.35049000      -2.90106794      -0.79969487      -1.30683271
Cr       3.19777000       0.13524000      25.21953000      -2.10911043      -0.92105542       0.72876877
Cr       1.35171000       4.31625000       6.26875000      -0.44995688       1.03511287      -0.55218504
Cr      -1.60635000       4.27562000       6.17281000       0.99982921       1.34405775      -0.23889314
Cr      -0.15165000       1.80747000       6.17013000      -1.33871961       2.48329909       0.96006436
Cr      -2.77886000       4.98451000      18.26089000      -0.74007628       0.59316670       2.70238575
Cr       2.95465000       1.63862000      27.51433000       0.40289811      -1.01977812       3.35757084
Cr      -0.25241000       3.53253000       8.75233000       0.51586801      -0.09655274      -0.93111187
Cr       5.77831000       0.17273000       3.79691000       0.06211794      -1.06480738       0.32616626
Cr       2.99070000       1.73864000      13.61814000      -1.78850553      -0.71331255       1.54324723
Cr       0.18093000       3.45473000      23.03631000       1.07823281      -0.55703186      -1.02233073
Cr       0.02585000       1.58272000      20.73282000       2.12212892       0.79969450      -1.14604832
Cr       1.60371000       4.21783000      20.68154000       1.10218711      -0.30652797      -0.49128951
Cr      -1.17028000       4.20799000      20.68102000      -2.55570016       2.48269938       0.59777276
Cr       3.06508000       3.33876000       1.57063000      -1.79321099      -1.62569676      -1.63205395
Cr       1.41170000       0.70778000       1.41018000       2.27362093       0.99801971      -1.00594065
Cr       4.48443000       0.78226000       1.35956000      -3.78785030       0.33523032       0.61045150
Cr       2.95419000       0.06820000      11.18868000      -1.09798436      -0.14591466       1.34604965
Cr       4.31749000       2.56887000      11.23980000      -0.32761607       1.25364356      -0.97613632
Cr       1.33820000       2.56951000      11.19063000      -0.14344590      -0.64238320       1.58133262
O        1.51383000       0.79099000      19.50874000      -0.76697081      -0.58963945       0.37044243
O        4.63204000       0.66850000      19.53349000       0.76453756       0.82366379      -0.56033136
O        3.26489000       3.57819000      19.58522000      -1.01716767       0.08129243       0.10622804
O        4.26919000       2.30759000       0.24836000       0.64174640       1.82081448      -0.18393432
O        1.66723000       2.21191000       0.15949000      -0.93465390       1.48182099       1.25577559
O        2.91324000       0.05960000       0.07059000       0.21416511      -0.87397194       1.64117976
O        1.23685000       4.11630000      10.08538000       0.83306954       1.48553787      -1.69142982
O       -1.39624000       4.39143000      10.06153000      -1.11342948      -0.81420747      -0.10129884
O       -0.25036000       1.96041000       9.96787000       0.95985389      -0.72181291      -0.08023685
O        1.57000000       0.94107000      12.44024000       0.08971911       0.37062733      -0.43125191
O        4.38767000       1.07318000      12.50202000      -0.14563697      -1.36417249      -1.09079962
O        3.00349000       3.24932000      12.44821000      -1.88631732       1.29496037      -0.33286153
O       -1.12160000       2.62114000      21.85290000      -1.25176051      -0.03387517       0.34489694
O        1.59028000       2.75115000      21.94039000      -0.31471493      -1.65740070      -1.13881544
O        0.26830000       5.04917000      21.80238000      -1.02134580       0.03599419       0.40467185
O        1.56614000       4.37415000       2.58981000       0.41410235      -1.18888209       0.52959181
O       -1.56980000       4.28206000       2.69981000      -0.83391795       0.64466004       0.10446441
O       -0.02441000       1.63890000       2.44590000       0.38929863      -0.13293678       1.03054130
O        1.10158000       0.99396000       5.07129000       2.39760388      -0.85361409      -1.01260270
O        4.40208000       0.89289000       5.09116000      -0.27848883      -0.44979702      -0.53550757
O        2.82000000       3.63764000       5.09587000      -0.42104068      -0.21646816      -0.74342412
O        4.27732000       2.52242000      15.04452000       0.16013614      -1.90180911      -1.96299439
O        1.29231000       2.36513000      15.00761000       1.60412361       0.14714440      -1.27332432
O        2.91817000       0.15589000      14.83576000       0.58159116      -0.89881020      -0.65194901
O        1.48655000       4.17039000      24.29315000       1.99858709       1.02303940      -0.68985659
O       -1.05979000       4.29981000      24.16238000      -1.82902126      -0.63427843       0.67728504
O        0.34289000       1.87657000      24.18546000      -1.72153708      -0.80298843       0.48359324
O       -2.87644000       5.04430000      21.75380000       1.01280572       0.11147615      -1.02662835
O        2.93830000       1.56053000       2.43601000      -0.09841970       0.35268718      -0.18696543
O       -0.21998000       3.51925000      12.15423000       1.90211152      -0.74514795       1.53417930
O       -0.01224000       0.19389000       7.08416000      -1.05239219      -1.67021223       3.29854719
O        2.86004000       1.46544000      17.02021000       0.53972328       0.59157587      -0.60182335
O        0.09822000       3.56840000      26.32958000       0.75080331      -1.28945213      -0.14772484
O        2.82851000       4.96444000       0.49354000       2.51897985      -0.82808091      -2.49886266
O        2.75464000       1.69788000      10.19027000       0.97709884       1.02579105      -1.18268517
O        0.08299000       3.36565000      19.60314000       1.32000921      -1.18169637      -0.39628359
O        0.05997000       1.39424000      17.07593000      -1.08110492      -0.29083076       0.05180663
O        1.60842000       4.13860000      17.22949000       0.54148920       1.04002262      -1.20310189
O       -1.57400000       4.10573000      16.95066000      -1.73286085       0.59284749       0.22585972
O        3.09961000       3.26262000      26.43704000       1.07482885       0.70441813       0.17848873
O        1.66063000       0.82889000      26.26436000       0.17601616       0.87743488       0.32587063
O        4.43694000       0.95474000      26.46751000      -2.18938644       2.37259645      -1.88237844
O       -0.13621000       4.99312000       7.39953000      -0.45567403       1.14677372       0.18051386
O        4.28443000       2.75212000       7.34669000       0.38529103      -0.46279059       0.92997872
O        1.03940000       2.81321000       7.48749000       1.08326871      -1.17971314      -0.52832520
Zn       5.78224000       0.02207000      26.93638000       4.26287059      -2.32515054       1.90293154
Zn       2.62354000       1.93060000       8.17198000       0.79568836      -0.90946065      -0.27192674
Zn      -0.08674000       3.24781000      17.55109000       1.49539421      -0.21553079       1.51355799
Zn      -2.78944000       4.94242000      23.61403000       0.23516596       1.15835220       0.48357507
Zn       2.78799000       1.77487000       4.30390000       0.00446871       0.19502449       0.93852254
Zn      -0.13328000       3.37236000      14.16876000       0.31024268       0.56982920      -0.37379530
Zn       5.84010000       0.00203000      13.46961000       0.52403659      -0.09708361      -0.10907694
Zn       3.06993000       1.82661000      22.78073000       0.59352491      -0.56332102       0.21732336
Zn       0.03056000       3.59014000       3.61431000       0.02749130      -0.57917930       0.30693257
Zn      -0.00236000       0.13531000       9.30979000      -0.76496017      -0.20364603      -0.31223544
Zn       3.07078000       1.87000000      18.97846000      -0.23145768      -2.20008398      -0.41874021
Zn       0.09703000       3.16305000      28.27487000      -0.70355746       1.18670191       0.07186632
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.8476739 magmom=71.9973332 free_energy=-551.84768426 stress="-0.030229875277930408 -0.0033551451071080316 -0.004322574440352238 -0.0033551451071080316 -0.042638208736243716 0.004438068548553371 -0.004322574440352238 0.004438068548553371 -0.038061027603530494" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40132000       0.76784000      15.98522000       0.17761487      -1.40111113      -2.37095992
Cr       4.34561000       0.66407000      16.03012000       0.56637546       1.74549308      -2.91688230
Cr       2.72800000       3.33471000      16.00385000       1.34222085      -1.95553201      -2.36698020
Cr      -1.32381000       2.61709000      25.33871000       2.60354247       1.24824132      -3.08967295
Cr       1.75400000       2.46516000      25.28008000      -1.25944949       1.16797796       0.01063096
Cr       3.25424000       0.04386000      25.17170000      -1.65442963       0.04443832       1.04866175
Cr       1.27844000       4.46126000       6.28108000       0.16377041      -0.41716593       1.12079544
Cr      -1.63973000       4.21761000       6.20970000      -0.65104151       2.56242003       0.59913537
Cr      -0.09403000       1.88861000       6.14347000      -0.36234399      -1.22473781       1.22817049
Cr      -2.83138000       5.00830000      18.29247000      -0.34939733      -0.55461884      -0.60696958
Cr       3.03831000       1.68010000      27.52920000      -1.32856895      -0.34047240       3.67556387
Cr      -0.28915000       3.59981000       8.65487000       1.23603607      -0.81267873       3.21993745
Cr      -0.08738000       0.16429000       3.78810000       1.21411463      -0.24238847       0.73400021
Cr       3.04952000       1.71161000      13.57837000      -3.58100469      -1.21342025      -0.11021759
Cr       0.20844000       3.49163000      22.99136000       1.46172171      -1.34444282      -0.38945311
Cr       0.03931000       1.60536000      20.68410000       2.32858878       2.05366112       1.04168413
Cr       1.57613000       4.18633000      20.64735000       2.17636579       0.44617113      -1.61040972
Cr      -1.28493000       4.35759000      20.64739000       1.03746182      -4.27612674       0.49873183
Cr       2.97230000       3.26226000       1.54733000      -1.31178204       1.00758393      -0.66484180
Cr       1.50843000       0.66266000       1.33432000      -0.93467203       1.77325880       0.85659325
Cr       4.42638000       0.76299000       1.36954000       1.22753985      -0.42648705       1.24552879
Cr       2.89514000       0.02474000      11.22236000      -1.00144701      -0.64436534       0.81806911
Cr       4.32254000       2.47435000      11.21703000      -0.10345850       1.42838432      -0.54319128
Cr       1.31567000       2.53709000      11.30816000      -0.42186805       0.78046664      -1.54001000
O        1.52345000       0.56273000      19.41577000       0.52866114       3.56552130      -0.54997642
O        4.86465000       0.69723000      19.50310000      -3.86515622       0.34147303       0.47761070
O        3.29618000       3.50607000      19.46652000      -1.68838504      -0.37756721       0.99894721
O        4.21302000       2.38826000       0.32646000       1.36788950       0.24668398      -0.99944689
O        1.66517000       2.41619000       0.31185000       0.08595227      -0.72875725      -1.17236029
O        0.04393000       5.06242000       0.30534000       0.18621176       1.35666717      -1.01199377
O        1.22275000       4.29569000       9.99384000      -0.25402073      -0.63346516      -0.22163398
O       -1.45362000       4.18402000      10.21021000      -0.90524649       0.79165410      -1.66199608
O       -0.12491000       1.96953000       9.88739000      -0.09793492       0.72347152       0.99363197
O        1.45052000       0.96783000      12.44294000       1.16510251      -0.88172282      -0.29646380
O        4.40091000       0.86832000      12.48842000      -0.87629057       0.39100819      -1.44059277
O        2.77964000       3.21496000      12.34740000       1.38650033       0.64477557       0.84093097
O       -1.14349000       2.72448000      21.89777000      -0.71824258      -1.15684228      -0.41821568
O        1.70432000       2.72518000      21.78470000      -1.57261784      -1.72812278       0.80294419
O        0.19660000       5.00527000      21.71735000       0.24536300       1.21135463       1.03988151
O        1.64553000       4.28504000       2.73601000      -0.59536910       0.15619020      -2.17868526
O       -1.69203000       4.31283000       2.61619000       1.01359580      -0.43844963       0.50287550
O        0.15302000       1.64983000       2.47916000      -1.45572308      -0.59719483      -0.15850242
O        1.28811000       0.92501000       4.97530000      -0.81232308      -0.31642712       1.39450907
O        4.41710000       0.84746000       5.08791000       0.28978398       1.42936732      -0.49140978
O        2.70835000       3.74850000       5.08953000       0.63117329      -1.31672696      -0.00486857
O        4.14442000       2.39464000      14.93411000       1.24036320       0.75537460       0.62762832
O        1.34241000       2.21807000      14.76042000       1.08263702       1.95597254       0.66472836
O        3.00860000       0.08236000      14.72615000      -0.93275496      -0.49291753       0.99818439
O        1.73115000       4.13182000      24.23628000      -1.73656603       0.26416565       0.14390417
O       -1.09202000       4.21409000      24.24121000       0.02637619       0.20408329      -0.80801124
O        0.29917000       1.92452000      24.21186000      -1.25873123      -1.30891272      -0.73330273
O       -2.69476000       5.04972000      21.62989000      -1.91730922       0.59366575       1.52831461
O        2.93618000       1.52243000       2.47528000       0.51622510       0.18181442      -0.93782674
O       -0.18662000       3.39432000      12.26959000       0.44338485       0.18040329      -0.90973585
O        5.78086000       0.20749000       7.35926000      -0.14132850      -0.63305100      -1.52515178
O        2.92129000       1.40241000      16.96707000      -0.99588482       2.06113607       2.08623471
O        0.10533000       3.51294000      26.27124000       1.50384239      -0.63380882       1.09211111
O        2.93040000       5.04418000       0.25162000      -0.03996966      -0.35774719       1.19916380
O        2.71710000       1.72740000      10.21509000       1.01766524      -0.27835984      -0.86493997
O        0.07942000       3.23834000      19.66560000       0.88255353       1.08445660      -1.04227686
O       -0.07335000       1.39307000      17.08081000       0.22408360       0.83056302       0.09787492
O        1.54861000       4.28552000      17.11773000      -0.70696365      -1.23186085       1.75785830
O       -1.75347000       4.21345000      16.97283000       1.97753389      -1.10402418       0.04295893
O        3.23219000       3.31303000      26.40706000      -1.75548099      -1.41503931       0.28905068
O        1.66597000       0.86241000      26.37416000       1.12658864       0.13895584      -0.62777911
O        4.40798000       1.08822000      26.28619000       0.79237619      -2.61078931       1.74883791
O        2.67413000       0.00212000       7.43261000       0.28539682       0.18849714      -0.87110023
O        4.25629000       2.74994000       7.55059000       0.76107395       0.09648870      -1.90937305
O        1.05383000       2.79687000       7.44055000       0.43834419       0.58877859      -0.99837241
Zn       2.89172000       5.03286000      26.93097000       0.63871808       1.48024410       0.83067059
Zn       2.63297000       1.97100000       8.20922000      -0.12370998      -1.00377650       0.53147007
Zn      -0.02052000       3.23751000      17.56153000      -0.78579716       0.58865174       0.79264722
Zn      -2.67823000       4.95034000      23.58723000       0.42948714       2.02261933      -0.95701522
Zn       2.87608000       1.80343000       4.32599000      -0.08751083       0.67138617       1.21882377
Zn      -0.22290000       3.34797000      14.12605000       0.47351653      -0.13693560       1.04703526
Zn       0.00156000       0.06179000      13.51323000       0.03856631      -0.53183248      -0.22310238
Zn       3.09458000       1.77756000      22.80566000       0.57751519      -0.12573212      -0.00691836
Zn       0.09542000       3.58957000       3.61031000      -1.13808867      -0.86915098       0.29383256
Zn       5.76017000       0.18410000       9.35760000       0.18300093      -1.31793321       0.28102444
Zn       3.08885000       1.70925000      19.06352000       0.06393099      -1.18517440      -0.99627699
Zn      -0.00502000       3.28266000      28.31643000       0.26210230      -0.73765088      -0.19427081
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-553.04786644 magmom=71.9995343 free_energy=-553.04786873 stress="-0.048714659617881746 -0.010781923868901835 -0.015068333089235402 -0.010781923868901835 -0.033293556176949554 -0.005342902148781623 -0.015068333089235402 -0.005342902148781623 -0.03355991739110016" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46680000       0.85276000      15.96878000      -1.75648874      -1.77873167      -0.41345173
Cr       4.23590000       0.71660000      15.97373000       1.91592682       0.93856481       0.50226539
Cr       2.73431000       3.34263000      15.97197000       2.11991903       0.18568048      -0.44188411
Cr      -1.23418000       2.69251000      25.27146000      -0.61861317      -3.87252017       1.39903925
Cr       1.72176000       2.38177000      25.27084000      -1.09502502       1.89475761      -1.86035315
Cr       0.25457000       5.09218000      25.24015000       0.80575705       0.29833457       0.53158815
Cr       1.21566000       4.58595000       6.33088000       0.47200848      -0.98550427      -1.82960470
Cr      -1.70719000       4.31212000       6.27850000      -0.37615380       0.87484049      -0.34756887
Cr      -0.06419000       1.91128000       6.18232000      -0.72025404      -0.70141267       0.04818050
Cr       3.00263000       5.01828000      18.30374000      -0.57042334       0.42365342      -1.12629087
Cr       3.03289000       1.70108000      27.67847000       1.17283736      -1.04557026      -0.40395825
Cr      -0.25440000       3.62059000       8.71404000       0.58008817      -0.27885832      -0.56253674
Cr       0.01053000       0.11829000       3.80844000      -0.28087980      -1.42560891       0.18758046
Cr       2.91792000       1.61189000      13.53885000       0.66347475       0.23300700      -0.78875528
Cr       0.30650000       3.43407000      22.91462000      -1.26721308      -0.60867442       0.29709145
Cr       0.16081000       1.72657000      20.66182000      -1.64318592      -1.20775203      -0.79262676
Cr       1.67521000       4.18127000      20.52457000      -2.10080852       0.70091449       3.38693943
Cr      -1.37228000       4.31821000      20.62590000       1.78798696      -1.40209618       0.42125631
Cr       2.83903000       3.24791000       1.47135000       3.25237060       2.80378626      -0.56292450
Cr       1.55198000       0.72429000       1.29455000      -2.16182935       0.03458255       2.11180340
Cr       4.43518000       0.73746000       1.42996000       3.42978193       1.27115689      -0.60877510
Cr      -0.17424000       5.04757000      11.27491000       0.28091369      -0.18347517      -3.10504073
Cr       4.31726000       2.47985000      11.15687000      -0.95598081       0.74722638       0.25289283
Cr       1.30398000       2.53792000      11.33520000       2.81094318       0.32610797      -3.15362422
O        1.47092000       0.77541000      19.32558000      -2.15724053      -1.23837395       1.34360261
O        4.59851000       0.78262000      19.57462000       4.01153671      -1.60997337       0.11760505
O        3.04475000       3.45201000      19.52880000       1.70163357       0.19388850      -1.01213505
O        4.32529000       2.50995000       0.28596000      -1.20781539      -1.50809213       0.61173190
O        1.65553000       2.45994000       0.24735000      -0.98990933      -0.90295954      -0.96546543
O        3.07709000       0.05853000       0.35012000      -0.65607604      -0.16586433      -2.37212757
O        1.09565000       4.35090000       9.90232000       0.24480590      -0.65676109       1.22530737
O       -1.63571000       4.11195000      10.07453000       0.40308098       1.40270461      -0.17901903
O       -0.03201000       2.09562000      10.00633000      -0.71114074      -2.12553580      -0.92524520
O        1.55892000       0.89536000      12.36021000      -1.99321321      -0.31583504       1.13345594
O        4.18597000       0.78932000      12.21871000       1.36057143       0.63546506       1.55760178
O        2.78039000       3.23589000      12.36762000       1.32404888      -0.00957578       0.82221096
O       -1.20610000       2.66548000      21.82331000       0.09303080       0.35417418      -0.65957015
O        1.49355000       2.45788000      21.72504000       1.87843594       1.56229325       0.37306833
O        0.13376000       5.04927000      21.75795000       0.41193298      -0.57165190      -0.60460548
O        1.66871000       4.27817000       2.53561000      -1.70430838       0.03967472       1.43523042
O       -1.68745000       4.31552000       2.59316000       1.22472055      -0.75588712       0.22404360
O        0.07209000       1.49022000       2.50949000      -0.06141657       1.41035979      -0.42381646
O        1.29984000       0.79691000       5.13312000       0.03474775       1.27922803      -0.46010520
O        4.53356000       0.98756000       5.04423000      -0.35731590      -0.22984056      -0.03095895
O        2.71646000       3.67837000       5.11592000      -0.00155588       0.08196821       0.03698514
O        4.16818000       2.32880000      14.86103000       0.10599009       0.62590191      -0.00245230
O        1.62773000       2.39519000      14.69374000      -2.41986272       0.31435503       1.36184107
O       -0.01908000       5.10380000      14.79113000      -1.15220068       0.40506285       0.05015252
O        1.64731000       4.15179000      24.17528000       0.20104916      -0.35764407      -0.21630135
O       -1.07478000       4.15876000      24.15854000       0.41897229       1.13146066      -0.63487320
O        0.05393000       1.79763000      24.11598000       1.62789697       0.48600620       0.07477637
O        0.14709000       0.03181000      21.62949000      -0.19709233      -0.70180775      -0.35431112
O        2.99067000       1.55529000       2.29929000      -0.73983128       0.33227832       3.30340458
O       -0.08429000       3.31028000      12.22874000      -1.96978300       0.94993337       1.37954598
O        5.63940000       0.07915000       7.38517000       1.04857310       1.01078136      -0.08427784
O        2.85219000       1.68267000      17.08406000      -0.11763035      -0.23916011      -1.01512442
O        0.33533000       3.32154000      26.32819000      -0.93467548       0.68221722       0.00438561
O       -2.80499000       5.03469000       0.27441000      -1.45284489      -0.47311522       0.41375263
O        2.86129000       1.71994000      10.14767000      -1.21259876      -0.47097254       0.26880787
O        0.26374000       3.29531000      19.56199000      -1.53149971       1.10302870      -0.14319091
O       -0.18401000       1.47727000      17.02611000       1.22887313      -1.23003454      -0.28968924
O        1.44265000       4.28678000      17.14981000       1.90773792       0.44705770      -0.64158884
O       -1.64901000       4.12112000      16.97905000      -0.72413349       1.76295072       0.18704602
O        3.11202000       3.13755000      26.38126000       0.31888557       1.10830260      -0.05024258
O        1.83323000       0.87789000      26.35846000      -0.81187870      -1.76050506       0.53206488
O        4.47623000       0.93005000      26.30936000       0.03903884       0.75950903       0.79242150
O        2.60589000       0.08399000       7.35017000       0.70776254       0.10229626       1.36935710
O       -1.47792000       2.80347000       7.42282000      -0.71589864      -1.40561475       0.17591622
O        1.13571000       2.89278000       7.24680000       0.67493022       0.02304643       2.37180740
Zn       3.00907000       4.98808000      26.96961000       0.24368877       0.57735596       0.19755210
Zn       2.64241000       1.95996000       8.25562000       0.27560463      -0.05584405      -1.08860417
Zn       0.00406000       3.25566000      17.62699000      -1.31667721      -0.24817306       0.77726561
Zn      -2.56525000       5.05961000      23.52996000      -1.51799932       0.63453201       0.14074121
Zn       2.95004000       1.86605000       4.42258000      -0.80916350      -0.15201389      -0.31428408
Zn      -0.28284000       3.31970000      14.13157000       0.93215784      -0.33792037       0.32608070
Zn       0.06412000       0.09115000      13.55452000      -0.79093627      -0.74644283      -0.72392417
Zn       3.14731000       1.71936000      22.84561000       0.14589195      -0.24939702      -0.08801025
Zn       0.10252000       3.54274000       3.62647000      -0.79940357      -0.35584014      -0.20697639
Zn       5.63877000       0.17308000       9.40696000       0.61874326      -0.07683310      -0.19316330
Zn       3.11076000       1.50084000      19.09689000      -1.55751448       2.33443404      -1.32391289
Zn      -0.08569000       3.37602000      28.34031000       1.68212212      -0.04100647      -0.74502905
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.93540247 magmom=71.9980558 free_energy=-551.93540247 stress="-0.04466633822447548 0.002421105713091179 0.0055127977498446844 0.002421105713091179 -0.03765485501834131 -0.006827364079584502 0.0055127977498446844 -0.006827364079584502 -0.040014370942442354" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40293000       0.82168000      15.95181000      -0.70288172       1.06731607      -0.40780792
Cr       4.25553000       0.80970000      15.93880000       0.28004869      -0.96605402       0.12980097
Cr       2.87156000       3.39208000      15.94131000       0.28699481       1.09047977      -1.10517711
Cr      -1.18245000       2.56343000      25.26727000      -2.15749876      -0.63638048       0.84686881
Cr       1.65773000       2.39323000      25.21218000       1.20353691      -0.10131914       0.06268433
Cr       0.25741000       5.05739000      25.34893000       1.56382871      -0.79597215      -1.20354637
Cr       1.18139000       4.63248000       6.29435000       1.01819699      -1.45348411      -1.42802143
Cr      -1.77066000       4.44331000       6.34645000       2.00542237      -1.66757377       0.13311819
Cr      -0.06228000       1.90732000       6.23686000       0.67416064       0.77729083      -0.09323985
Cr       2.91807000       5.02044000      18.27118000       1.32718211      -0.22104681      -0.67499512
Cr       3.05534000       1.67376000      27.80475000      -0.43630090       0.37522813      -6.38358451
Cr      -0.19581000       3.60408000       8.74989000      -0.74672709      -1.43369314      -2.43096279
Cr       0.09844000       0.00823000       3.83264000      -1.47508427       0.31327617      -0.42470754
Cr       2.79842000       1.53968000      13.48280000       1.13476209       1.39635254       2.11073910
Cr       0.32320000       3.34929000      22.84762000      -2.07961093       1.18090454       0.44216073
Cr       0.18379000       1.77794000      20.59643000      -1.62631800      -0.51932186       1.16173684
Cr       1.69161000       4.22354000      20.53081000      -1.46985375      -1.54286621       3.04172470
Cr      -1.37057000       4.19184000      20.59814000      -0.23621510       2.03029732      -0.11665722
Cr       2.87370000       3.35576000       1.36469000       0.48230638      -1.53101812       2.84335061
Cr       1.50004000       0.80378000       1.34914000       0.93906948      -0.47252150       1.88373767
Cr       4.57500000       0.79169000       1.44055000      -3.54883964       0.22367912       0.09320987
Cr      -0.27274000       4.97591000      11.18954000      -0.15744515       2.53003277       0.34362471
Cr       4.25957000       2.52933000      11.11558000       0.33750523      -0.37349273       0.88509348
Cr       1.40944000       2.56055000      11.21006000      -1.38479833       0.28840277       0.54602693
O        1.19659000       0.82382000      19.44333000       4.35155834      -1.53337590      -1.50134812
O        4.78244000       0.70737000      19.61993000      -2.65615357       1.91032539      -2.20109132
O        3.08670000       3.38385000      19.46847000       0.44138562       0.44736905      -0.37211561
O        4.30495000       2.40557000       0.35844000       0.99128544       1.37750640       0.33074271
O        1.48796000       2.35366000       0.08271000       0.90074366       0.31621943       1.92895473
O        3.05627000       0.13156000       0.10577000      -0.29665894      -1.25265131       3.34324944
O        1.01799000       4.26027000      10.03706000       2.44868263      -0.63473678      -0.08933186
O       -1.67863000       4.24657000       9.89702000       0.49249433      -0.83984920       0.77676470
O       -0.08065000       1.93042000      10.00031000      -0.09946050       0.88852657      -0.40025459
O        1.41842000       0.81307000      12.36841000      -0.48861148       0.93443686      -0.87098856
O        4.10809000       0.85001000      12.17210000       0.55170553      -0.54136062       0.93160930
O        3.00247000       3.18805000      12.47618000      -1.72432803       0.42443239      -1.25671921
O       -1.19501000       2.66104000      21.64395000      -0.31812597      -1.00958670       1.69523812
O        1.55553000       2.50239000      21.72784000       1.59519299       0.11160826      -0.69210076
O        0.15265000       4.93690000      21.70445000       0.34061620       0.67436025      -0.23289601
O        1.49840000       4.28645000       2.49172000       1.24964997      -0.39666115       0.78038185
O       -1.53003000       4.25036000       2.60054000      -0.82245567       0.26642378      -0.28428199
O        0.00498000       1.48401000       2.51601000       1.75881885       0.83953440       0.96626571
O        1.24008000       0.87613000       5.20459000       1.22776248       0.62640843      -1.12659544
O        4.62836000       1.05790000       5.01095000      -0.92164075      -1.12516907      -0.06019084
O        2.75702000       3.68483000       5.17640000      -0.35940576       0.61269472      -0.02592413
O        4.15973000       2.35239000      14.82931000      -0.69010034      -0.05227800      -0.62463639
O        1.54395000       2.56380000      14.83011000      -1.15971437      -1.14888646      -0.96248771
O        2.70488000       0.04492000      14.87883000       1.86025665      -0.35681858      -1.49154720
O        1.51638000       4.08064000      24.13670000       2.23988341       0.49834308       0.48135692
O       -0.95155000       4.22304000      24.04035000      -1.70268449      -0.51417232       1.25545656
O        0.10486000       1.81717000      24.07783000       0.84483485      -0.15957066       0.33078907
O        0.01633000       0.02256000      21.58452000       2.05382175      -0.09647713       0.97227801
O        2.94414000       1.66492000       2.55952000      -0.14736338      -0.00814523      -1.70539227
O       -0.22683000       3.36502000      12.22816000       0.99834242      -0.64793384      -0.27838245
O        5.66071000       0.14225000       7.29886000      -0.18216481       1.26278330       1.55242139
O        2.76434000       1.87256000      17.02071000       0.83521864      -2.65990214       0.67295447
O        0.37372000       3.25671000      26.33142000      -1.87575378       0.82443532       0.12172441
O        3.01443000       4.97043000       0.44251000       0.06643452       0.96867566      -2.15568280
O        2.80932000       1.64838000      10.15285000      -0.72925031       0.34561845      -0.53283456
O        0.19428000       3.55003000      19.53290000      -0.91427030      -1.09195984       0.14077188
O       -0.09199000       1.38455000      16.92838000      -0.92203136       2.12775757       1.65699601
O        1.59845000       4.32316000      17.06344000      -1.59570368      -0.43722079      -0.20521597
O       -1.62708000       4.31543000      17.00620000       0.36851464      -0.75871196       0.38857879
O        3.05182000       3.08312000      26.34897000       1.37211478       0.94905975       0.42400020
O        1.82946000       0.66021000      26.38422000      -0.78433732       1.68270574       0.48221354
O        4.51975000       0.87856000      26.48029000      -0.12649700       0.91885371      -0.17898193
O        2.67857000       0.08574000       7.45357000      -0.14991533       0.09551405       0.63345746
O       -1.41433000       2.71036000       7.28061000      -1.48138891       0.89558394       1.90907531
O        1.23987000       2.99985000       7.40848000      -0.70047664      -0.70969332       0.62424707
Zn      -2.76532000       4.98214000      27.01265000      -0.40109089      -0.25753875      -0.02160886
Zn       2.66638000       1.94254000       8.25206000       0.55942286       0.04250885      -1.05553895
Zn      -0.03275000       3.26907000      17.71024000      -0.04465696      -0.09745245      -1.46297607
Zn       0.42912000       0.08590000      23.47001000      -0.74292227      -1.58698332      -0.08103175
Zn       2.98145000       1.91792000       4.50090000      -0.66910139      -0.59840946      -0.43111591
Zn      -0.28380000       3.28296000      14.16708000       1.59614142       0.51533082       0.13568604
Zn       0.08076000       0.07939000      13.57538000      -1.13978032      -0.81071023      -0.07257887
Zn       3.20820000       1.65026000      22.88395000      -0.00568934      -0.12876950      -0.69147041
Zn       0.06456000       3.47632000       3.64517000      -0.38533048      -0.03436414       0.08360508
Zn       5.55362000       0.15194000       9.44634000       0.26539363      -0.60075251      -0.76584071
Zn       3.07238000       1.39362000      19.06692000      -0.79140514       0.98496698      -0.33400359
Zn      -0.09081000       3.44714000      28.32326000       0.38675305      -1.01035776      -0.70883101
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.62347276 magmom=72.0020244 free_energy=-551.62377708 stress="-0.024598755067541177 0.008697013643253882 0.017154667864443227 0.008697013643253882 -0.04022940139259833 0.009071484561260676 0.017154667864443227 0.009071484561260676 -0.03173326323075005" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.28145000       0.82793000      15.92413000       1.75869230       1.81603446      -0.69153015
Cr       4.31564000       0.84976000      15.92838000      -1.23814871      -0.41368089      -0.83213752
Cr       3.02287000       3.50851000      15.90870000      -2.75528185      -2.52192351      -0.89238334
Cr      -1.26531000       2.37277000      25.32163000      -0.17730991       2.28955977      -2.03150989
Cr       1.68505000       2.42137000      25.19396000       2.12255852       0.82484643       1.96054040
Cr       0.33743000       5.00290000      25.40827000      -0.81632859       0.21738670      -2.06866796
Cr       1.20262000       4.58300000       6.19389000       0.52394672      -0.89826466       2.24669095
Cr      -1.72193000       4.49595000       6.43367000       0.95472701       0.42905223       0.19760447
Cr      -0.04947000       1.95720000       6.28638000      -0.39476997       0.40690594      -0.64113465
Cr       2.89788000       4.96883000      18.22220000       1.04596494       1.21869871       0.47728539
Cr       3.03860000       1.65006000      27.69888000      -0.31618281       0.37690677       0.91900202
Cr      -0.18422000       3.50804000       8.67787000      -1.15190359       0.23249372       3.15329937
Cr      -2.84720000       5.03746000       3.82728000      -1.18903363       2.46631284      -0.24520961
Cr       2.74364000       1.56203000      13.51710000      -1.13941856       1.24450027      -1.33294170
Cr       0.23247000       3.34161000      22.82011000       0.98413537       0.84261223       2.16883809
Cr       0.11418000       1.74527000      20.53990000       1.55931904      -1.11649790      -0.33535033
Cr       1.64912000       4.24348000      20.63691000       1.25835593       0.20338008      -2.01716793
Cr      -1.39726000       4.17369000      20.56211000       0.22154740       0.61114850       0.92604505
Cr       2.96007000       3.37066000       1.36153000      -1.25088954       0.64940405       2.04757125
Cr       1.51803000       0.86834000       1.48993000      -0.09406328      -1.64791463      -0.04682043
Cr       4.53267000       0.87457000       1.45314000      -0.89541788      -1.03715308       2.00610473
Cr      -0.34910000       5.03575000      11.10698000       1.60965002       0.80572893       1.47106108
Cr       4.22068000       2.54315000      11.13576000       0.98471404      -1.17179232      -0.27228939
Cr       1.43152000       2.59126000      11.11515000      -3.61815580      -1.43876746       2.96597132
O        1.44737000       0.63601000      19.42928000      -3.12757508       0.05732624       0.41206838
O        4.68288000       0.88788000      19.39437000       1.03714275      -1.62655909       1.54677273
O        3.27156000       3.37651000      19.32749000      -2.17980102       0.44300353       0.44925657
O        4.39923000       2.49302000       0.43955000      -0.78917833      -0.20597486      -1.86168729
O        1.49029000       2.31651000       0.25524000       1.42719949       1.56616146      -0.97114884
O        2.99110000       0.11867000       0.37832000       0.40016814       0.64145711      -0.71317962
O        1.25629000       4.10023000      10.15886000      -1.72186504       2.53980825      -2.38169484
O       -1.57453000       4.21618000       9.86997000      -1.05082588      -0.46775526       0.36501206
O       -0.18698000       1.94720000       9.91547000       0.07397640      -0.04747667      -0.02958292
O        1.24005000       0.93120000      12.24616000       1.03471553      -0.75688563       0.62898454
O        4.08790000       0.87561000      12.31956000       0.01563427      -0.52733248      -0.31570836
O        2.89363000       3.14885000      12.35674000      -1.27479589       1.19147573       0.46980276
O       -1.17627000       2.54970000      21.72973000      -0.14569152      -0.17764516       0.46963424
O        1.84115000       2.66821000      21.67812000      -2.18255353      -1.36897528       0.44106252
O        0.22086000       4.86945000      21.65290000      -1.02417159       1.66747561       1.42401917
O        1.61191000       4.27271000       2.61642000       0.40042328       0.53171780      -0.11651301
O       -1.57744000       4.26351000       2.57086000       0.37683638      -0.27188319       0.24296938
O        0.17079000       1.53681000       2.63108000      -1.77485396       0.26073715       0.19789198
O        1.32226000       1.04353000       5.10251000      -0.20554694      -0.94454294       0.99103086
O        4.59709000       0.91713000       5.02557000      -0.46196967       1.28857697      -0.34624695
O        2.76001000       3.82645000       5.26543000       0.43750324      -2.05049329      -0.08469585
O        4.00355000       2.35226000      14.72073000       2.23420048       1.09137626       0.47307681
O        1.30377000       2.47173000      14.85500000       2.12163311      -0.42815305       0.09097558
O        2.75643000       0.11571000      14.77028000       0.05241643      -1.23719569       0.83896647
O        1.71726000       4.06184000      24.16609000      -0.58088182       0.98605982      -0.15317113
O       -1.05285000       4.15356000      24.16638000       0.08270633      -0.27119115      -0.30671527
O        0.28555000       1.87832000      24.12434000      -1.51130221      -1.30077235      -0.56724706
O       -2.73244000       5.08854000      21.56804000      -1.18017987       0.96934189      -0.09410827
O        2.87831000       1.77506000       2.51189000       1.52871363      -0.36586958       0.22396988
O       -0.24343000       3.36324000      12.13560000       0.43834448       0.28300118       0.91330751
O       -0.18607000       0.40450000       7.38836000      -0.15533052      -1.51333230      -0.14417861
O        2.83160000       1.63712000      16.92162000       0.15910203       0.76694230       0.35155013
O        0.09077000       3.32893000      26.26186000       1.62053068      -0.64534023       1.46701707
O        2.89622000       5.05256000       0.32642000       0.82454504       0.13438040       0.61721520
O        2.65107000       1.63890000      10.10177000       1.96490808      -0.21453600      -0.89193458
O        0.03643000       3.55899000      19.59142000       2.70686900      -1.98922391      -0.60815435
O       -0.14062000       1.58504000      17.08577000      -0.05851396      -2.13663751      -0.78718385
O        1.54430000       4.31649000      16.91566000       0.22466662      -0.25183371       1.35682506
O       -1.56500000       4.41439000      17.06237000      -0.30855019      -1.42764027      -0.54572019
O        3.22596000       3.16993000      26.34976000      -1.34296347      -0.57053717       0.36068466
O        1.80162000       0.76533000      26.41747000       0.83562049       0.93447285      -0.72986683
O        4.49968000       0.99253000      26.57614000       0.52201523      -2.18315836      -0.13129943
O        2.76488000       0.02735000       7.60261000      -0.21542760       0.48989615      -1.86665242
O       -1.54963000       2.77111000       7.41735000       0.29932680       0.46693955      -0.64971180
O        1.19607000       2.98406000       7.61641000       1.24583644      -0.98569554      -3.39261185
Zn      -2.66497000       4.96303000      27.06632000      -0.91568216       0.27392007       0.13165584
Zn       2.72238000       1.92647000       8.19298000       0.20530790      -0.26120227      -0.06692832
Zn      -0.07982000       3.28010000      17.72364000       0.44479460       1.60557258      -0.52356516
Zn       0.42776000       0.14450000      23.41598000      -0.31021187      -1.80824570       0.97876978
Zn       2.97504000       1.93968000       4.55493000      -0.13203790      -0.11863736      -0.52454087
Zn      -0.21138000       3.27440000      14.20002000      -0.65850490       0.92852077      -1.49195225
Zn       0.03718000       0.02188000      13.59220000      -0.71935310      -0.19401164      -1.42532550
Zn       3.27097000       1.57328000      22.89858000      -0.22077296       0.25179132      -0.60666886
Zn       0.00444000       3.40532000       3.67224000       0.20058913       0.11572009      -0.30656972
Zn       5.49201000       0.10054000       9.44814000       1.57431063       0.53212399      -0.40250643
Zn       2.98202000       1.35756000      18.99604000       0.77887549       2.47046706      -1.67692501
Zn      -0.06114000       3.46471000      28.26874000       0.99292171      -0.52850564       0.13860509
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.10511179 magmom=72.0538377 free_energy=-551.10897199 stress="-0.03515515144758253 -0.007799212694640764 -0.006632075048439005 -0.007799212694640764 -0.04459847026997637 0.005682155376511659 -0.006632075048439005 0.005682155376511659 -0.0436107870523734" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.23458000       0.90452000      15.90387000       2.68196037      -2.37553385       0.35198308
Cr       4.33529000       0.83909000      15.89768000      -0.87687813      -1.31658242      -2.32879002
Cr       3.01494000       3.52614000      15.88522000      -2.63328943      -3.33103722      -1.72818266
Cr       4.52318000       2.28819000      25.30520000       3.23195562       1.91850139      -0.71460860
Cr       1.84230000       2.50920000      25.27366000      -2.62108884       1.08953526      -2.26308906
Cr       0.37804000       4.96186000      25.37421000      -1.65070341       0.01377111      -0.79415811
Cr       1.27457000       4.46747000       6.19781000       0.90059088       0.39699773       0.57277232
Cr      -1.61005000       4.56557000       6.52138000      -2.11880194       0.67315642      -2.75671832
Cr      -0.06160000       2.02063000       6.28604000      -2.12688794      -2.03893139      -2.25060534
Cr       2.92980000       4.94452000      18.15848000      -0.74595889       1.00951657       0.70800851
Cr       3.01943000       1.66981000      27.63730000       1.76120142      -0.05179487       4.32250188
Cr      -0.21144000       3.42749000       8.72216000       0.92468136       2.31993360      -0.58186889
Cr      -2.90835000       5.10011000       3.83087000       0.96056098       1.56020373       4.16928574
Cr       2.65455000       1.66207000      13.50640000       1.35901069      -0.27980640      -1.02969525
Cr       0.17549000       3.38881000      22.92986000       2.07106562      -0.74760227       0.86660816
Cr       0.11142000       1.63972000      20.48534000       1.71476079       0.60743720       2.45047203
Cr       1.67048000       4.27182000      20.62720000      -0.88596689      -0.96106969      -0.32354375
Cr      -1.40556000       4.18410000      20.55793000       2.24468212      -2.41801346       1.19424600
Cr       2.99976000       3.39408000       1.44637000       0.35741321       2.51578254      -0.30629822
Cr       1.54255000       0.87603000       1.62550000      -1.20541862       0.34152732      -1.50190586
Cr       4.41816000       0.91549000       1.54463000       3.28640470      -0.65005855      -0.33233766
Cr       2.61258000       0.04504000      11.10424000       1.84173321      -1.95945681      -0.06571672
Cr       4.22854000       2.49113000      11.17158000      -1.15374251       0.55200779       0.00258366
Cr       1.23971000       2.57313000      11.13597000      -0.63564865       0.35025995      -1.90999710
O        1.33523000       0.47629000      19.37477000       1.26379163       2.39217996      -1.05883231
O        4.68379000       0.82377000      19.41297000      -1.40168246      -1.25813229      -0.18514841
O        3.09093000       3.45833000      19.30589000      -0.36676063      -1.32700697       1.44101247
O        4.34310000       2.56146000       0.26367000      -0.18167379      -0.85644689       0.11178902
O        1.74432000       2.51303000       0.34847000      -1.73552045      -0.66119567      -1.53350552
O        2.98422000       0.14521000       0.60481000      -0.26548400      -0.92511605      -3.16923146
O        1.13707000       4.17692000       9.96411000      -0.90847873      -0.10605191       0.55465236
O       -1.57267000       4.08438000       9.98821000      -0.99311447       1.32034678      -0.17825784
O       -0.27684000       1.99947000       9.90221000       0.64227246      -2.74416351       1.02017933
O        1.31754000       0.95207000      12.18365000      -1.02592978      -0.90045016       1.92048766
O        3.99724000       0.87188000      12.38954000       0.78332764       0.20563367      -0.90178836
O        2.55615000       3.25388000      12.25000000       2.43415929       0.58075817       1.91687667
O       -1.09095000       2.41901000      21.88300000      -0.87476114       1.08146675      -1.50473743
O        1.67845000       2.65777000      21.65881000      -0.83035127      -0.72940387       0.72450528
O        0.16625000       4.99506000      21.78665000      -0.44014193      -0.60852204      -0.99698819
O        1.81892000       4.35921000       2.69467000      -3.53283519      -1.05623027      -1.42977822
O       -1.62665000       4.29585000       2.60530000       1.87473111      -0.02694307       1.05961720
O        0.08098000       1.57265000       2.75893000      -0.35727750       0.95696348      -1.10115499
O        1.32517000       1.02344000       5.21350000      -0.38261476      -0.40701809       0.01313751
O        4.49657000       0.92585000       5.05804000       0.62597052       0.22473943       0.08601940
O        2.85570000       3.71831000       5.34477000       0.49235868       0.38355001      -1.06136103
O        4.13010000       2.49722000      14.66376000      -0.19909471      -0.62353217       0.82843520
O        1.44213000       2.33432000      14.82524000      -0.65192825       3.25080351      -0.48953758
O        2.87747000       0.06427000      14.73094000      -0.72162128       0.60159714       0.39944868
O        1.79237000       4.18332000      24.21463000      -1.17790731      -0.18355419      -0.32831482
O       -1.12952000       4.00317000      24.26064000      -0.14179953       1.02368660      -0.73347227
O        0.26801000       1.81968000      24.15842000       0.18008670       0.30317796       0.50504430
O        0.23782000       0.06456000      21.50644000      -0.73845865      -1.54567553       1.29866472
O        3.05204000       1.79196000       2.45013000      -1.03171528      -0.09621210       3.03458152
O       -0.19786000       3.40051000      12.11679000      -0.77149207       0.18464552       1.40616716
O       -0.14699000       0.42980000       7.43131000      -0.21468069      -1.15757691      -0.14192295
O        2.90476000       1.48772000      16.84160000      -1.51065104       2.17356581       1.49795349
O        0.03077000       3.32567000      26.36133000       1.48453735      -0.54741052      -0.96050772
O       -0.02161000       0.10902000       0.39270000       1.01095306      -0.52834583       0.67687312
O        2.76413000       1.64948000      10.02050000      -0.38696113       0.75312314       0.62409860
O        0.28054000       3.23544000      19.60946000      -1.19430728       2.86266536      -1.42120923
O       -0.22401000       1.47844000      17.08246000       1.29810894       0.77295433      -0.24254182
O        1.49190000       4.26007000      16.95354000       0.87434278       0.19450450      -0.01663408
O       -1.55274000       4.27200000      16.95515000      -0.75653293       0.94277196      -0.01930802
O        3.21383000       3.15324000      26.40913000      -0.03347955       0.56243034       0.27691678
O        1.90379000       0.99147000      26.29724000      -1.40428563      -3.41776865       0.64864286
O        4.55106000       0.78369000      26.56830000      -0.53649349       0.07219635      -0.59546330
O       -0.11143000       5.09085000       7.44466000       0.98277102       1.05338900       1.34481218
O       -1.59872000       2.97185000       7.49558000       0.41235965      -2.11527622      -0.36126866
O        1.19991000       2.84048000       7.30502000       0.99685953       0.70973309       2.16059498
Zn      -2.60703000       4.95519000      27.12412000      -0.13695605       0.91595798       0.31879782
Zn       2.79761000       1.89299000       8.10607000      -0.21730135      -0.22671853      -0.41718725
Zn      -0.10146000       3.36368000      17.70684000       0.90179383      -0.43920569       0.16520976
Zn       0.40760000       0.09997000      23.41056000       0.02642189      -1.23157332       0.99472867
Zn       2.95566000       1.95357000       4.58595000      -0.37464348      -0.39480425      -0.41424552
Zn      -0.14212000       3.31338000      14.17301000       0.68373254       0.62531860      -1.25832536
Zn       2.89075000       5.05391000      13.56057000      -0.71561546       0.00421421      -1.65823972
Zn       3.32445000       1.50423000      22.89782000      -0.55211273       0.75470193      -0.11123770
Zn      -0.05279000       3.33444000       3.69716000       0.20862258       0.58116755       0.08253428
Zn       5.51720000       0.06972000       9.40595000       1.56694941       0.46399104      -0.60380514
Zn       2.90668000       1.44254000      18.84061000       0.62854578       0.97641787      -0.07935264
Zn       0.02734000       3.45131000      28.21376000       0.71033187      -0.03306101       2.11063071
81
Lattice="5.901299953 0.0 0.0 -2.950649977 5.110675675 0.0 0.0 0.0 28.613500595" Properties=species:S:1:pos:R:3:force:R:3 energy=-551.39470058 magmom=71.9951195 free_energy=-551.39470058 stress="-0.04468622439656561 -0.006992406395498441 -0.011911493778052264 -0.006992406395498441 -0.02795789177577294 -0.01631754962629898 -0.011911493778052264 -0.01631754962629898 -0.04595578861538709" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32480000       0.86578000      15.91890000       1.24674885      -0.10704777      -2.72935378
Cr       4.31389000       0.75614000      15.78614000       0.40592681       1.25086249       0.28950554
Cr       2.84975000       3.40298000      15.84017000       1.10665852      -0.36347990      -0.77377167
Cr      -1.33297000       2.31619000      25.27453000       1.77887905       0.64935396       1.19600681
Cr       1.88734000       2.62206000      25.29025000      -2.89302660      -2.56271826      -0.34246719
Cr       0.31198000       4.94467000      25.31875000      -3.07594886       0.58284788       0.71815758
Cr       1.39972000       4.36220000       6.24819000       0.48663511       1.08459973      -0.42685410
Cr      -1.57520000       4.64256000       6.49259000       0.63385392      -2.95545851      -0.24192257
Cr      -0.17019000       1.98966000       6.18288000       0.33014368       0.18948907       1.48235444
Cr       2.92659000       4.94789000      18.07577000      -0.51743648       0.47558293       3.61183908
Cr       3.07732000       1.67693000      27.73911000      -1.18934795      -2.17688728      -1.84876047
Cr      -0.23654000       3.44277000       8.76343000      -0.93336483      -0.21284679      -1.49565890
Cr      -0.00584000       0.13875000       4.00775000      -0.09827240      -1.24321810      -1.88578561
Cr       2.64071000       1.75364000      13.44386000       1.87768732      -0.60337781       1.54749556
Cr       0.22184000       3.38993000      23.07638000      -0.57242585      -0.96166238      -2.98432864
Cr       0.18973000       1.56753000      20.53640000      -0.94725987       0.90695937       0.56910587
Cr       1.64471000       4.22851000      20.57816000      -2.64005430      -1.96744623       2.38785014
Cr      -1.29865000       4.08507000      20.59917000      -1.07046677       0.50285684      -0.54604195
Cr       3.04720000       3.53254000       1.52239000      -0.10078103      -1.22838267       0.73556740
Cr       1.52627000       0.89011000       1.66893000       2.22488426       1.69025814       0.13382200
Cr       4.43362000       0.91614000       1.59969000      -0.27031074      -0.26453386      -1.05549992
Cr       2.70548000       0.07720000      11.12581000      -2.14765217      -0.76860872       0.37454769
Cr       4.17694000       2.47601000      11.21372000      -1.00672563       2.83251275      -0.44897448
Cr       1.01886000       2.56423000      11.12844000       4.35048393       0.07543161       1.30130252
O        1.31817000       0.62879000      19.23596000       0.92670839      -1.07179448       0.97712817
O        4.60060000       0.58475000      19.44625000      -0.05321448       2.21994463      -1.62514769
O        2.88635000       3.37554000      19.50001000       3.02300682      -0.04754325      -1.48263587
O        4.27524000       2.50497000       0.20713000       2.50368808       1.00241813       2.62031435
O        1.79386000       2.64448000       0.23201000      -0.37643852      -0.95578946       1.49871095
O        2.95646000       0.10783000       0.37227000      -0.03364706       1.07643889       0.94161166
O        0.88743000       4.28648000       9.89455000       3.42873681      -0.37170061       1.42779272
O       -1.68990000       4.14988000      10.07753000       0.86664984       0.13228664      -1.06855867
O       -0.28011000       1.74472000      10.04293000      -0.59912337       2.04100288      -0.72044347
O        1.32702000       0.85967000      12.36105000      -0.92305631       0.87723979      -0.73151572
O        3.98013000       0.93654000      12.25753000       0.99800624      -0.72708280       1.09821864
O        2.54522000       3.36602000      12.35285000       0.33453147      -0.84769928      -1.20992683
O       -1.08584000       2.52895000      21.77717000      -1.32287611      -0.25474483       0.25496377
O        1.31226000       2.54394000      21.77135000       2.92806629      -0.01070076      -0.13549450
O        0.02076000       4.95178000      21.77654000       0.88475365      -0.03867507       0.01628850
O        1.59887000       4.37111000       2.61381000       0.72266224      -0.14656784       1.25039001
O       -1.46275000       4.39498000       2.81899000      -1.35461696       0.52557558      -0.16741669
O       -0.08668000       1.65495000       2.71854000       1.56507891      -0.22479344       0.23692115
O        1.20756000       0.94268000       5.33179000       1.41582636       1.91761530      -2.30180268
O        4.52334000       0.94886000       5.13585000      -1.11051185      -0.58990321      -0.04855981
O        3.02287000       3.72994000       5.26413000      -0.63858202       0.36138176       0.00025306
O        4.21025000       2.51356000      14.76249000      -0.21908080      -0.85301219      -0.93363664
O        1.54081000       2.61241000      14.76750000      -1.75201362      -1.49483624       0.12160703
O        2.85856000       0.15976000      14.75165000      -1.28844036      -0.12454186      -0.97231037
O        1.61906000       4.23520000      24.21195000       1.48728219      -0.83772512      -1.13766468
O       -1.19165000       3.99216000      24.23631000      -0.24978831       0.70521286       0.49697029
O        0.24039000       1.83335000      24.27034000       0.80262442      -1.10259795      -0.96174304
O       -2.84670000       5.02117000      21.58524000       1.29425601      -0.12124189       0.14536268
O        3.09790000       1.78868000       2.76647000      -1.18900803       0.21959618      -2.81670054
O       -0.27361000       3.45567000      12.21820000      -0.42846033      -0.16239216      -0.89458234
O        5.75763000       0.22231000       7.37765000      -0.72232304       0.38167867       0.38574063
O        2.78498000       1.68731000      16.86151000       0.96856620      -0.02520802      -1.31372313
O        0.25317000       3.22268000      26.29509000      -0.17750346       0.18491774       0.31953639
O        0.17142000       0.16819000       0.66961000      -1.49872591      -0.91789725      -2.61136333
O        2.81867000       1.76424000      10.06845000      -1.92973628      -0.20808808      -0.61899908
O        0.32629000       3.27771000      19.50158000      -2.30380927       0.04263291       0.58246209
O       -0.13405000       1.43499000      16.92688000      -0.60549829       1.12844303       0.76797312
O        1.55014000       4.23895000      16.96719000      -1.15080077       0.36854254      -0.74941505
O       -1.63509000       4.25840000      16.80909000       0.55039399       0.02164892       1.04473288
O        3.19108000       3.18735000      26.50981000       1.02710066      -0.36030852      -0.34703504
O        1.79676000       0.74658000      26.26215000       1.18393431       1.61800466       0.86723009
O        4.53209000       0.56884000      26.43975000       0.42487226       2.45321013       1.26500690
O        3.01579000       0.04695000       7.39911000      -1.06723686      -0.78485340       0.94820117
O       -1.48460000       2.89778000       7.43061000      -0.14327782      -0.60243575      -0.54963321
O        1.29570000       2.76712000       7.22801000      -0.80855041      -0.36964676       2.06209726
Zn      -2.55324000       4.99763000      27.18680000      -0.91768380       0.50970836       0.31564588
Zn       2.86784000       1.84701000       8.00430000      -0.09092811       0.53226857       0.90302088
Zn      -0.08103000       3.45337000      17.69038000      -0.17187369      -0.71252438      -0.76150129
Zn      -2.56568000       5.09839000      23.46285000      -0.28478464       0.46019796       0.71640615
Zn       2.91661000       1.94461000       4.59650000      -0.50942491      -0.54230358       0.74141273
Zn      -0.04818000       3.39231000      14.09297000      -0.91521641       0.39751847       0.67061233
Zn       2.75235000       4.97244000      13.46719000       0.10852070       0.63619553      -0.21490151
Zn       3.35204000       1.47125000      22.89623000      -0.48935645       0.63347877      -0.66577813
Zn      -0.09801000       3.29640000       3.73899000       0.60225427       1.31220387       0.33594876
Zn       5.62788000       0.04990000       9.32944000      -0.10109546      -1.78287497      -0.09549781
Zn       2.86115000       1.59976000      18.67533000       1.02644206      -0.07911388       2.46582450
Zn       0.16022000       3.43550000      28.23860000      -0.62610643      -0.21585222       0.08946698
