14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-71.35133903 magmom=-0.0002015 free_energy=-71.35133903 stress="0.01203801480411666 -0.0002522378336779186 0.0008123503570724429 -0.0002522378336779186 0.011983157418945156 8.493676554339595e-06 0.0008123503570724429 8.493676554339595e-06 0.01236035181945903" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.32398000       2.43541000      -6.48611000       0.06400098       0.03477719       0.08486224
O       -0.46090000       0.11266000      -2.17907000       0.01711621       0.01361924       0.01348538
O        0.07050000      -0.11399000      -5.66070000       0.03469738      -0.01915664      -0.00925468
O       -2.58889000      -1.01410000      -3.76838000       0.01579733      -0.02141771      -0.02277366
O       -0.94121000       3.15132000      -6.30145000      -0.00082971       0.02484742      -0.00689145
O       -2.15927000       1.81877000      -3.70642000      -0.00617477      -0.01518536       0.00494872
O       -4.12034000       1.01466000      -5.66149000      -0.04689724       0.11189423      -0.02244168
O       -4.98907000      -2.33116000      -5.54627000      -0.06092054      -0.13346464      -0.11370995
O       -3.38163000       2.52151000      -7.85819000      -0.05354166      -0.02052911       0.06165584
Zn      -2.20358000      -1.09345000      -1.82020000       0.00422936       0.02970639      -0.03111990
Zn      -1.09818000       0.22791000      -4.22961000       0.01533692      -0.00855603       0.05147660
Zn      -2.83009000      -4.11935000      -1.84383000       0.00613108      -0.03603183      -0.01278347
Zn      -3.08818000      -2.54823000      -4.80220000      -0.00042408       0.00840856      -0.00737752
Zn      -3.82159000       0.58838000      -3.57322000       0.01147873       0.03108829       0.00992354
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.8084866 magmom=-0.0002612 free_energy=-70.8084866 stress="-0.0018005719048375221 0.0024567389505625223 0.008033013185258932 0.0024567389505625223 0.006629379153402262 -0.0037062470784494424 0.008033013185258932 -0.0037062470784494424 0.004272298023286697" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28811000       2.42313000      -6.47757000      -0.29552857      -0.63679165      -0.30170722
O       -0.37911000       0.12213000      -2.31518000      -0.23005663       0.01876460       0.42280749
O       -0.01637000      -0.00782000      -5.65511000       0.11583505      -1.45998920      -0.78833349
O       -2.58284000      -1.01066000      -3.82513000       0.14410566      -0.01129744       0.43340521
O       -0.83696000       3.13683000      -6.12973000      -0.10097304      -0.37783737      -0.45649701
O       -2.30018000       1.72390000      -3.72257000      -0.02759915       1.88454756       0.41851146
O       -4.16522000       0.99924000      -5.58842000      -0.10574451       1.24848486      -0.61661950
O       -4.96078000      -2.23595000      -5.69430000       0.20376043      -0.38611990       0.56845616
O       -3.32032000       2.45088000      -7.84044000      -0.06915670      -0.37417559       0.23213773
Zn      -2.16547000      -1.10625000      -1.91478000       0.30448781       0.42352402       0.15847248
Zn      -1.16882000       0.35824000      -4.26727000       0.89121993      -1.04638056      -0.50389770
Zn      -2.85191000      -4.13284000      -1.91001000       0.59419522       0.90320013       1.20876082
Zn      -3.08669000      -2.57613000      -4.71524000      -0.38696852      -0.21036394      -0.51537105
Zn      -3.79947000       0.51739000      -3.44679000      -1.03757699       0.02443448      -0.26012540
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.32433068 magmom=-0.0001833 free_energy=-70.32433068 stress="0.004806532213754795 -0.008999098172335534 -0.005151135968941484 -0.008999098172335534 -0.006234853498868382 0.004550108936404223 -0.005151135968941484 0.004550108936404223 -0.011285673736127457" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27782000       2.41223000      -6.50496000      -0.38877469       2.49321157      -0.30442015
O       -0.34627000       0.13878000      -2.39499000      -0.36084087       0.18268407       0.06708750
O       -0.09234000      -0.15681000      -5.80120000       0.58542712       2.63519553       1.37358984
O       -2.53892000      -0.98936000      -3.82576000      -0.03771185       0.44334054      -0.90865754
O       -0.73107000       3.03073000      -6.02898000      -0.37018337       0.02279460      -0.34898970
O       -3.55654000      -4.07116000      -3.70003000       0.14250071      -2.38214973       0.51734195
O       -4.22930000       1.12933000      -5.55492000      -0.05987556      -1.22716703       0.86925475
O       -4.86762000      -2.21151000      -5.74488000      -0.23844982      -1.13612642      -0.31239595
O       -3.24633000       2.25609000      -7.79240000      -0.23116103      -0.51842081      -0.36772109
Zn      -2.09551000      -1.10243000      -2.01451000       0.69197442      -0.80464845       1.80818082
Zn      -1.20882000       0.46352000      -4.34508000       0.36091572      -0.48729518      -0.46363719
Zn      -2.84832000      -4.10644000      -1.92249000      -0.51907174      -1.67902859       0.26448600
Zn      -3.10630000      -2.60894000      -4.64671000       0.28822683       1.59270055      -1.81265473
Zn      -3.82586000       0.43445000      -3.30328000       0.13702411       0.86490934      -0.38146450
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.03155348 magmom=-0.0001992 free_energy=-70.03155348 stress="0.01679157833832748 -0.005090909487823679 -0.009387951418545627 -0.005090909487823679 0.01676058682381193 -0.005071226926244261 -0.009387951418545627 -0.005071226926244261 0.019561021233945597" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29668000       2.46307000      -6.56620000      -0.26854106      -4.07725849       0.71118257
O       -0.38388000       0.22357000      -2.46976000       0.52383718       0.44651360       0.32422723
O       -0.07654000       0.05720000      -5.78972000       0.32938759      -1.92756460      -0.24080675
O       -2.48062000      -0.88076000      -3.98070000      -0.37157301      -0.66414927       0.55316299
O       -0.68370000       2.89144000      -5.96846000      -0.66302598       0.60406263       0.19327885
O       -3.74703000      -4.16312000      -3.53165000       1.23206474       0.91302446      -1.58896334
O       -4.35917000       1.21387000      -5.42842000      -0.47336743       1.64293425      -1.83500410
O       -4.74940000      -2.29523000      -5.79836000       0.16495964       1.18300159      -0.08716300
O       -3.21976000       1.87589000      -7.77327000      -0.72920735       1.01306945       0.72302621
Zn      -1.95555000      -1.13510000      -2.06066000       0.72128476       0.67341590      -0.67250269
Zn      -1.24345000       0.57705000      -4.47767000      -0.68733693       0.18934442       0.68531150
Zn      -2.85668000      -4.13645000      -1.88868000       0.37970393       0.19483657       1.87163402
Zn      -3.12309000      -2.58220000      -4.64730000       0.22761133      -0.09168700      -0.18519982
Zn      -1.63032000       2.93946000      -7.97084000      -0.38579743      -0.09954351      -0.45218367
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.2689523 magmom=0.0002416 free_energy=-70.2689523 stress="0.025582402100920734 0.010180073537620305 -0.0033684995398979177 0.010180073537620305 0.025045718517577312 0.00463940774287948 -0.0033684995398979177 0.00463940774287948 0.02523304476869321" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.32491000       2.39498000      -6.60467000       0.21340710       2.41046155       0.34666620
O       -0.34920000       0.38353000      -2.48822000      -0.23719813      -0.20024287      -0.11724268
O        0.02075000       0.02102000      -5.77524000      -0.18685823      -0.52759211      -0.37200079
O       -2.49012000      -0.86989000      -4.03785000      -0.15992052      -0.00148694       1.23557100
O       -0.74708000       2.85673000      -5.91377000       0.41542163       0.02435468      -1.03113401
O       -2.64157000       1.84128000      -3.55862000       0.76210318       0.07198785       0.18489071
O       -4.59876000       1.37283000      -5.44446000      -0.61676772      -1.54655410       1.36851532
O       -4.64441000      -2.27196000      -5.94228000      -0.59584980      -0.78205599      -1.01121712
O       -3.28924000       1.66566000      -7.67958000       0.73081883       0.31585113      -0.68065380
Zn      -1.78206000      -1.14371000      -2.12282000      -0.14866480       0.24504210      -0.10507579
Zn      -1.30735000       0.69415000      -4.58117000      -0.15840488      -0.19815000       0.26678645
Zn      -2.85602000      -4.17468000      -1.77540000      -0.10017370       0.11738323       0.23859090
Zn      -3.13312000      -2.54954000      -4.66632000      -0.44111729       0.01094129       0.24711690
Zn      -1.68274000       2.87375000      -7.82700000       0.52320431       0.06006017      -0.57081330
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.99836629 magmom=-0.0003041 free_energy=-69.99836629 stress="0.03465202297876397 0.0033661872292875244 -0.023278461616408577 0.0033661872292875244 0.026944604976475266 -0.01513170930424302 -0.023278461616408577 -0.01513170930424302 0.03602933877613102" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36112000       2.38201000      -6.59599000      -0.57309038      -1.31652005      -0.02147389
O       -0.33252000       0.46562000      -2.51648000       0.37054991      -0.60314961      -0.08562847
O        0.07215000      -0.09210000      -5.80931000      -0.51932150       1.70198352       0.35911290
O       -2.53119000      -0.88241000      -3.87644000      -0.06430077      -0.06841326      -0.61270742
O       -0.74062000       2.85321000      -6.03263000       0.11425721       0.19637220       0.31837518
O       -2.46823000       1.88829000      -3.62057000      -0.46819084       0.05356374       0.69233358
O       -4.85268000       1.36471000      -5.37556000       0.79186433       0.85872654      -0.89620195
O       -4.61382000      -2.28441000      -6.17511000       0.38111242       0.41110791       0.86898133
O       -3.26991000       1.60455000      -7.67774000      -0.94183127       0.48927207       0.64823559
Zn      -1.64857000      -1.13816000      -2.17690000      -0.32292861      -0.77008577       1.12457855
Zn      -1.36238000       0.77035000      -4.64910000       1.12503537      -1.33759355      -0.48400574
Zn      -0.62345000      -1.63158000      -6.51010000      -0.21008966      -0.33194540      -0.71085041
Zn      -3.15715000      -2.51988000      -4.67202000      -0.05302167       0.49249487      -0.04812948
Zn      -1.70337000       2.82286000      -7.74845000       0.36995547       0.22418681      -1.15261976
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.71118254 magmom=-0.0001941 free_energy=-69.71118254 stress="0.022888675607867167 0.017380467283373308 -0.010358890783035448 0.017380467283373308 0.022547546488327838 -0.009429755492535021 -0.010358890783035448 -0.009429755492535021 0.023498128646516823" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40848000       2.35916000      -6.58873000       0.19036643       1.31491212       1.63745364
O       -0.28492000       0.41756000      -2.59391000      -0.51133479       0.02794835      -0.34378833
O       -0.01113000       0.10395000      -5.78940000      -0.01785154      -1.52927791      -0.69717837
O       -2.57388000      -0.89765000      -3.82968000       0.35407148       0.32019318      -0.61171649
O       -0.69727000       2.87731000      -6.08041000      -0.41263269      -0.19671251       1.02822086
O       -3.44209000      -4.07258000      -3.61396000      -0.15495366      -0.24652561      -0.36665565
O       -4.98703000       1.41523000      -5.35858000       0.78817904       0.27678909      -0.34993229
O       -4.54201000      -2.28426000      -6.23387000      -0.51114323      -0.55927552       0.66888725
O       -3.38612000       1.59767000      -7.60932000       0.78813199      -1.06487869      -0.93541592
Zn      -1.53750000      -1.17192000      -2.17077000      -0.72973497      -0.04350716       0.48640774
Zn      -1.36092000       0.77684000      -4.73496000      -0.43147479       0.10109394       1.20177225
Zn      -0.63525000      -1.66491000      -6.44685000       0.61987071       1.60610515      -0.64302574
Zn      -3.19158000      -2.46504000      -4.68152000      -0.12014265      -0.36957682      -0.20693915
Zn      -1.70178000       2.78638000      -7.73949000       0.14864867       0.36271239      -0.86808979
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.03182532 magmom=0.0002832 free_energy=-69.03182532 stress="0.03525977382680331 0.0023026782204310643 -0.012315827471098249 0.0023026782204310643 0.021180302083708948 -0.007699034113879887 -0.012315827471098249 -0.007699034113879887 0.045496683233089905" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.44958000       2.40637000      -6.53493000       0.97124871      -1.94055549      -3.05337766
O       -0.30427000       0.30810000      -2.77952000       0.81339574       0.09618388       1.37742320
O       -0.14112000       0.07028000      -5.97181000       0.82134755       0.31649261       0.14466193
O       -2.54182000      -0.82214000      -3.95529000       0.10220730       0.27155893       0.39236142
O       -0.72152000       2.88293000      -5.87376000       0.14941546       0.04808145      -1.01419696
O       -3.37619000      -4.05000000      -3.56442000      -0.52044146      -0.11522384      -0.63243481
O       -5.02178000       1.50768000      -5.31288000      -0.12227134      -0.30525008       0.56500997
O       -4.52584000      -2.36758000      -6.09139000      -0.97422618       0.65682859      -0.73376256
O       -3.49198000       1.40275000      -7.60463000      -0.26797709       1.85988923       1.60797574
Zn      -1.40018000      -1.24108000      -2.11400000      -1.29456326       0.52893533      -0.41101622
Zn      -1.38484000       0.78519000      -4.79436000      -0.47081027       0.53589402       1.46694497
Zn      -0.62098000      -1.61995000      -6.39334000      -0.88901814      -1.17760835      -1.28652692
Zn      -3.25801000      -2.39131000      -4.70725000       0.88926048      -0.92577788       1.24258234
Zn      -1.68138000       2.74607000      -7.79652000       0.79243252       0.15055162       0.33435555
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-67.44075499 magmom=-0.0004387 free_energy=-67.44075499 stress="0.000632248609079192 0.006980017212094874 -0.0037102568735722747 0.006980017212094874 -0.004132319791743151 -0.023365130681602318 -0.0037102568735722747 -0.023365130681602318 0.05663911973992525" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.47161000       2.37274000      -6.57834000      -1.81275106      -0.16226342       5.35703352
O       -0.23105000       0.15937000      -2.84372000      -1.22253066       0.70931928      -0.39980354
O       -0.09503000       0.10107000      -6.29907000      -2.51344978      -1.58694402       2.43637656
O       -2.46249000      -0.64736000      -4.10889000      -0.95593956      -1.81532512      -0.05335888
O       -0.74404000       2.88708000      -5.74254000       0.16679468       0.30284037      -1.67827819
O       -3.41749000      -4.02683000      -3.63721000      -0.84927222       0.52284044       0.65048626
O       -5.08754000       1.62032000      -5.12059000       0.43480294       0.43647038      -2.47611783
O       -4.74724000      -2.33161000      -6.00973000       0.31111390       1.00437038      -0.87778817
O       -3.57878000       1.33908000      -7.36134000       3.26008558      -1.60565354      -1.62415018
Zn      -1.23117000      -1.32822000      -2.03394000       1.14341028       2.38025333      -1.03384849
Zn      -1.47100000       0.84524000      -4.79370000       1.52840179       0.35073070      -0.86323433
Zn      -0.65658000      -1.62617000      -6.38551000      -1.03832237      -1.01506134      -1.04013971
Zn      -3.32331000      -2.31900000      -4.67774000       0.93178216      -0.61352124       0.64430294
Zn      -1.58729000       2.69243000      -7.88755000       0.61587432       1.09194381       0.95852003
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-67.80329724 magmom=9.71e-05 free_energy=-67.80329724 stress="0.04025431881398728 -0.022980259187414552 -0.007282403880150291 -0.022980259187414552 0.029720392678195297 -0.004495180048504176 -0.007282403880150291 -0.004495180048504176 0.04823177260033577" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.49766000       2.31354000      -6.47200000       3.67017024       2.29224492      -3.12071278
O       -0.28201000       0.11556000      -2.88754000       1.26726093      -0.17120649       0.86538512
O       -0.32633000       0.14030000      -6.21158000       1.22562090       0.09107489       0.05553185
O       -2.52586000      -0.73787000      -4.27713000       0.41958846       1.09785587       0.13646088
O       -0.75050000       2.90536000      -5.93876000      -1.17847944      -1.09444833      -0.36163030
O       -3.62726000      -3.94307000      -3.64789000       0.18195413      -0.79035282      -0.43557734
O       -5.16424000       1.68658000      -5.15330000      -0.85206082      -1.41337998       1.34322921
O       -5.00363000      -2.14971000      -6.13625000       0.20893060      -1.57665621      -0.14909235
O       -3.26775000       1.26248000      -7.19743000      -1.50307587       2.47065009       1.20649870
Zn      -1.05069000      -1.34812000      -1.98352000      -3.63848859      -1.63023264       0.64113869
Zn      -1.49691000       0.92491000      -4.82435000       0.45179189       0.09343797      -0.35156466
Zn      -0.75606000      -1.70937000      -6.44018000       0.31591155       2.13475331      -0.82370084
Zn      -3.34516000      -2.28218000      -4.60556000      -0.46353892      -2.17487785      -0.52269139
Zn      -3.69522000       0.10914000      -3.09282000      -0.10558506       0.67113728       1.51672520
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.37189256 magmom=-0.0002182 free_energy=-68.37189256 stress="0.020242573302440243 0.002459634093295091 -0.018949337092960785 0.002459634093295091 0.014003013268785305 -0.029987800493562165 -0.018949337092960785 -0.029987800493562165 0.031737915838897755" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.41811000       2.34929000      -6.47235000      -3.03323322      -0.11425813       2.49435350
O       -0.15317000       0.06622000      -2.82787000      -0.46956208      -0.23366733      -1.02805491
O       -0.32901000       0.10298000      -6.11971000       1.26704859      -0.17401506      -0.54920649
O       -2.53924000      -0.69317000      -4.37577000      -0.32165809      -0.47839189       0.02734376
O       -0.90461000       2.80122000      -6.11785000       0.65791590       0.80283775       1.55526465
O       -3.73510000      -3.99587000      -3.71021000       0.70282513      -0.20399082       0.04418897
O       -5.26917000       1.56741000      -5.13813000       1.14042000       0.50225634      -1.57463467
O       -5.06203000      -2.14562000      -6.20686000       1.10860673       1.33111584       1.05487208
O       -3.15854000       1.51100000      -6.98354000       1.78170228      -1.10735701      -1.20303692
Zn      -1.06339000      -1.40935000      -1.92553000      -2.01001034      -0.77968120       0.94823733
Zn      -1.49085000       0.98261000      -4.86093000       0.11058575      -0.22116667      -0.35203237
Zn      -0.81738000      -1.68475000      -6.50943000      -0.46133485       0.80629684      -0.13884839
Zn      -3.37005000      -2.33958000      -4.57699000       0.17274668      -0.31584589      -0.44477410
Zn      -3.61589000       0.13303000      -3.06591000      -0.64605249       0.18586722      -0.83367246
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.72551119 magmom=-0.0001878 free_energy=-68.72551119 stress="0.03480634943490495 -0.011289331123162025 -0.008989904136042177 -0.011289331123162025 0.02368831960052528 -0.011952129915887988 -0.008989904136042177 -0.011952129915887988 0.03310181814631557" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43011000       2.40032000      -6.41109000       2.45642707       1.34969251      -2.79872781
O       -0.09861000      -0.02118000      -2.91033000       0.22555743      -0.21496133       0.93347437
O       -0.14466000       0.00586000      -6.11182000      -1.63927626      -0.85054803       1.09645674
O       -2.58607000      -0.70692000      -4.43531000      -0.12076655      -0.16948238       0.27313682
O       -0.89774000       2.85217000      -5.98834000       0.89521074       0.35194255       0.10738895
O       -3.69120000      -4.07830000      -3.73697000       0.14809725       0.22272235       0.73023009
O       -5.18890000       1.50932000      -5.27753000      -0.23079466      -0.57205616       1.53213524
O       -4.94582000      -2.04890000      -6.07418000      -0.79567198      -1.54990406       0.35035960
O       -2.97056000       1.63127000      -6.96089000      -1.84954359       0.54851798       0.20013506
Zn      -1.16602000      -1.48284000      -1.85122000       1.30002332       1.79668336      -1.06647737
Zn      -1.47726000       1.00751000      -4.91143000       0.51005968      -1.14234834      -0.93816719
Zn      -0.88231000      -1.61956000      -6.56810000      -0.45140230      -0.04881941       0.15101401
Zn      -3.38545000      -2.40338000      -4.58284000       0.18607559       0.60457518      -0.65418193
Zn      -3.59046000       0.15698000      -3.07015000      -0.63399572      -0.32601422       0.08322343
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.63186841 magmom=-0.0001258 free_energy=-68.63186841 stress="0.015290515353898741 0.006957033098157665 -0.015218325865861993 0.006957033098157665 0.00662933682348737 -0.02919561826875461 -0.015218325865861993 -0.02919561826875461 0.029757011268953852" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.37898000       2.47533000      -6.45353000      -1.78348904      -2.31470496       2.31614800
O       -0.04167000      -0.13134000      -2.86982000      -0.86073872       0.62918379      -0.39791529
O       -0.16431000      -0.12596000      -5.89353000       1.00008947       1.35759699      -0.07776213
O       -2.66454000      -0.74874000      -4.42503000       0.31003636       0.59440560       0.44954642
O       -0.70282000       2.94447000      -5.79298000      -0.49135217      -1.59179933      -0.72181633
O       -3.59323000      -4.11334000      -3.65016000       0.11817863       0.07188429      -0.91328803
O       -5.05899000       1.43067000      -5.25417000       0.56905071       1.00596398      -1.02709797
O       -4.94583000      -2.12446000      -5.82551000      -0.74466021       0.80296300      -0.32063633
O       -2.99615000       1.78679000      -6.98262000       1.65533921      -0.74284673      -0.98487416
Zn      -1.22176000      -1.47853000      -1.81405000       0.43951468       0.72913076       0.16415019
Zn      -1.43893000       0.97066000      -5.00666000      -0.49586509      -0.31841040       0.70002285
Zn      -0.97706000      -1.56282000      -6.62172000       0.19822811      -0.09656989       0.47641724
Zn      -3.38844000      -2.43993000      -4.62253000       0.46642270      -0.10896878      -0.05998255
Zn      -3.60308000       0.16481000      -3.08116000      -0.38075465      -0.01782831       0.39708810
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.26393107 magmom=-0.0001514 free_energy=-68.26393107 stress="0.02817856752113706 0.0023487225135772 0.0028313876454737494 0.0023487225135772 0.021687296093891428 0.0018650930061056101 0.0028313876454737494 0.0018650930061056101 0.033085192669664504" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.37135000       2.44481000      -6.41845000       1.33102037       1.22782765      -2.09102126
O       -0.13505000      -0.13037000      -2.82690000       0.60325728       0.16899048       1.40002733
O        0.02174000      -0.07791000      -5.66556000      -0.10531173      -1.56972289      -1.43158560
O       -2.67216000      -0.70654000      -4.34977000       0.53212968      -0.91322818      -0.91656110
O       -0.52817000       2.75144000      -5.75281000      -0.30257374       0.58479760      -1.07309018
O       -2.39513000       1.87908000      -3.64277000      -0.52674703       0.08890988       0.29389499
O       -4.81985000       1.43856000      -5.28921000      -0.55230325      -1.91511755       1.63953882
O       -5.14238000      -2.12494000      -5.63148000      -0.07874461      -0.81313222      -1.37048787
O       -2.84652000       1.86405000      -7.14992000      -2.45782214       0.17270617       1.35072652
Zn      -1.25874000      -1.41178000      -1.77452000      -0.02021009       1.09182743      -0.41851807
Zn      -1.43011000       0.90633000      -5.08196000      -0.82156303       0.05805811       1.19671417
Zn      -1.08258000      -1.50485000      -6.64726000       1.25830297       0.20809739       1.46828659
Zn      -3.36244000      -2.47800000      -4.68023000       0.69504233       0.95891834      -0.04114579
Zn      -3.64485000       0.17454000      -3.06689000       0.44552300       0.65106779      -0.00677854
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.13431081 magmom=-2.5e-05 free_energy=-68.13431081 stress="0.004389493585600073 -0.004013798813759348 -0.005672943127494674 -0.004013798813759348 0.032716750968333694 -0.024431741920222638 -0.005672943127494674 -0.024431741920222638 0.043211406602245185" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34709000       2.39386000      -6.39645000      -2.01699703      -1.45526038       3.79825879
O       -0.17317000      -0.05338000      -2.58183000      -0.45596808       0.21309242      -1.43274138
O        0.22300000      -0.30161000      -5.73479000      -1.49144340       1.10953675      -0.75464556
O       -2.57001000      -0.81025000      -4.42573000       0.05163133       0.53345041       0.05754606
O       -0.42829000       2.59308000      -5.95830000      -1.39437871       1.02027399      -0.46545014
O       -2.35244000       1.89117000      -3.68176000      -0.46645113       0.04119178       0.69320624
O       -4.57961000       1.21869000      -5.18529000      -0.14637288       1.01330368      -1.41232237
O       -5.39130000      -2.18978000      -5.66984000       1.45322382       0.46572746       0.11020807
O       -2.97583000       1.97751000      -7.19548000       1.61304685      -0.48245268      -1.04801446
Zn      -1.30386000      -1.27797000      -1.73774000      -0.53552116      -1.34507694       0.57529368
Zn      -1.46178000       0.82705000      -5.09921000       0.77055929      -0.74329035       0.72014062
Zn      -1.13244000      -1.42033000      -6.59439000       1.57286092      -0.40194128       0.45747879
Zn      -3.29129000      -2.47738000      -4.75073000      -0.14921405      -0.09448920       0.22149362
Zn      -3.67467000       0.21435000      -3.05580000       1.19502425       0.12593436      -1.52045197
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.25609461 magmom=-0.000169 free_energy=-68.25609461 stress="0.01429678961896384 -0.024975500054431953 -0.024020904643324077 -0.024975500054431953 0.02538988764527602 -0.01378830999853771 -0.024020904643324077 -0.01378830999853771 0.03532463356114902" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39464000       2.30369000      -6.25653000       1.29135185       1.26855810      -3.19979748
O       -0.24863000       0.03621000      -2.53624000       0.93883810      -0.80505878       0.77099528
O        0.17155000      -0.27345000      -5.92567000       0.27212906       2.11603133       0.85302427
O       -2.45548000      -0.82662000      -4.51375000      -0.35517686      -0.06378291       0.24807279
O       -0.59883000       2.66241000      -6.22452000      -0.50694375       0.64972691       1.59807011
O       -3.48041000      -4.08902000      -3.67309000       0.22061644       0.19500694      -0.69791721
O       -4.41248000       1.05289000      -5.20943000      -1.05133724      -0.11712710       0.51518179
O       -5.33116000      -2.18934000      -5.68072000       1.09658497      -0.75103928       0.70981919
O       -3.01435000       1.99936000      -7.29549000      -1.55213656       0.15418461       1.05056962
Zn      -1.37320000      -1.20733000      -1.68516000      -0.29904849      -0.83745719      -0.31674030
Zn      -1.45763000       0.72031000      -5.07250000       0.45204311       0.69920858       0.93210866
Zn      -1.11031000      -1.37289000      -6.52430000      -0.03775874      -1.75961541      -0.81051299
Zn      -3.22919000      -2.47976000      -4.80686000      -0.39990282      -0.75529554       0.35932376
Zn      -3.64168000       0.26385000      -3.12462000      -0.06925904       0.00665976      -2.01219749
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.94636933 magmom=-0.0004434 free_energy=-68.94636933 stress="-0.022397117330349204 -0.01754534363131808 -0.002537261908097367 -0.01754534363131808 -0.0016576645642687438 -0.004251092932937148 -0.002537261908097367 -0.004251092932937148 0.023230898707918536" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38265000       2.27252000      -6.24059000       0.88793506       0.07910079       1.17773926
O       -0.23594000      -0.01204000      -2.44065000      -0.62864185       0.45536947      -0.16968301
O        0.04482000      -0.01305000      -5.91208000      -0.57956677      -1.84774618       0.57896350
O       -2.42387000      -0.84787000      -4.52618000      -0.43941068      -0.10176511       0.86342075
O       -0.86658000       2.85777000      -6.18324000       0.80104354      -0.28893536      -0.26823198
O       -3.48638000      -4.03753000      -3.70387000       0.69173487      -0.72260468       0.31426203
O       -4.47495000       0.94952000      -5.18069000      -0.59956604       1.18096057      -0.60058344
O       -5.04597000      -2.29048000      -5.54747000      -0.69127713      -0.83672980      -0.31151388
O       -3.19303000       2.00040000      -7.31027000       1.15823757      -0.37682824      -0.86197455
Zn      -1.43307000      -1.15961000      -1.66610000       0.32249929       1.56420477      -1.03904482
Zn      -1.43082000       0.66758000      -4.99727000      -0.50648106       1.76634062       1.59255393
Zn      -1.07539000      -1.40766000      -6.49948000       0.45650504      -0.59453408      -0.79252917
Zn      -3.19781000      -2.51739000      -4.83801000      -0.30265686      -0.06473306       0.33971112
Zn      -3.60809000       0.30872000      -3.28751000      -0.57035495      -0.21209969      -0.82308973
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.38921274 magmom=-0.0001529 free_energy=-69.38921274 stress="-0.018937469487508827 -0.010173590675578032 -0.0029500828801508378 -0.010173590675578032 -0.01483138207829727 -0.013444698718200147 -0.0029500828801508378 -0.013444698718200147 0.019619459990812018" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.32233000       2.25543000      -6.23768000      -0.57142077      -1.39253279      -2.38809996
O       -0.25826000       0.05114000      -2.37145000       0.99392381       0.92719158       0.02524338
O       -0.07251000      -0.04722000      -5.82737000       0.94033436       0.68774998      -0.57062051
O       -2.48157000      -0.88259000      -4.36953000       0.31637032      -0.21530003       0.35842640
O       -0.90553000       2.94389000      -6.18848000       0.77852983      -1.00417375      -0.81256689
O       -2.30025000       1.88967000      -3.62476000       0.05957270       0.15899919       0.14853102
O       -4.65148000       1.00025000      -5.19022000       0.26933294       0.04730038      -0.06878612
O       -4.95562000      -2.44954000      -5.45690000      -0.89404983       1.39647253       0.20139771
O       -3.16675000       1.94483000      -7.41835000      -0.25799486       0.01991131       0.86520806
Zn      -1.49078000      -1.07251000      -1.69066000      -1.69668406      -1.09093425       0.13446891
Zn      -1.43428000       0.71078000      -4.85298000       0.29048106       0.15350362       0.82355659
Zn      -1.02613000      -1.47326000      -6.52003000       0.70962816       0.17242850      -0.43302164
Zn      -3.18182000      -2.55163000      -4.83671000       0.66737204       0.23456572       0.86976226
Zn      -3.61752000       0.33183000      -3.46030000      -1.60539571      -0.09518199       0.84650079
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.54432193 magmom=-7.2e-06 free_energy=-69.54432193 stress="0.006719852487064828 0.003467419826177506 -0.006974430437276294 0.003467419826177506 0.0021178240438346563 -5.443271289057622e-05 -0.006974430437276294 -5.443271289057622e-05 0.027422712583374132" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30944000       2.21839000      -6.31618000       0.22767918       1.55631020       0.90281268
O       -0.16437000       0.25082000      -2.34121000      -0.90161440      -0.68288877      -0.37978993
O       -0.02417000      -0.01264000      -5.84183000      -1.02647364      -0.61453934       0.65701519
O       -2.44501000      -0.95074000      -4.16373000       0.73359007       0.07311942       0.02215651
O       -0.79249000       2.83285000      -6.33491000      -0.79810613       0.70137514       0.79272253
O       -3.28071000      -4.12188000      -3.62862000      -0.92243339       0.99487710      -0.29962309
O       -4.73980000       1.02400000      -5.20388000       0.43602205      -0.19910736      -0.36806500
O       -5.05088000      -2.43136000      -5.41357000       0.63818668      -1.05795139      -1.06870998
O       -3.09816000       1.87122000      -7.43021000      -0.51751219       0.17922917       0.74746131
Zn      -1.60914000      -1.03686000      -1.71804000       0.41574736       0.25311578      -1.25542918
Zn      -1.41475000       0.74586000      -4.70019000       2.02256331      -2.00317074      -1.03702469
Zn      -0.94661000      -1.51759000      -6.55528000       0.97426897       0.75233811       0.76744711
Zn      -3.14530000      -2.56830000      -4.79813000       0.08298305       0.21727025      -0.24536594
Zn      -3.70873000       0.34691000      -3.56587000      -1.36490092      -0.16997757       0.76439248
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.05951606 magmom=-0.0001423 free_energy=-70.05951606 stress="0.01711335106507129 -0.0056948547005036924 -0.001417278201741689 -0.0056948547005036924 0.011474777163344312 -0.006767588291599168 -0.001417278201741689 -0.006767588291599168 0.022653821856342495" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.32778000       2.24964000      -6.35058000      -1.31275948      -0.82341686      -0.11816373
O       -0.23310000       0.30304000      -2.38200000       0.24812373      -0.67168153       0.17715645
O       -0.11989000      -0.03931000      -5.75451000       1.37538792       0.67326233      -0.61692924
O       -2.27766000      -1.00149000      -3.96972000      -0.87343788       0.50413423       0.30141928
O       -0.85258000       2.87170000      -6.31476000      -0.35837660       1.10333245       0.50862276
O       -3.38520000      -3.98205000      -3.63401000      -0.20635446      -1.87360776      -0.22699318
O       -4.72397000       0.98566000      -5.27665000       0.16314898       0.25715166      -0.41079265
O       -4.98621000      -2.48742000      -5.51075000       0.72183601       1.09491500       0.41031328
O       -3.07973000       1.82918000      -7.35473000      -0.28509147       0.24865309      -0.38745086
Zn      -1.70457000      -1.00683000      -1.80852000      -0.26284778      -0.86372944      -1.13832702
Zn      -1.30362000       0.68511000      -4.59576000      -0.57838096       0.02115976       1.42782841
Zn      -0.82500000      -1.52549000      -6.55445000      -0.08467155      -0.44290444      -0.14014650
Zn      -3.09836000      -2.56227000      -4.77503000       0.82147592       1.21830148      -0.60476163
Zn      -3.86304000       0.35050000      -3.61575000       0.63194761      -0.44556997       0.81822464
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.33382352 magmom=-0.0002707 free_energy=-70.33382352 stress="0.02416250320184425 0.00048535673277501373 -0.0009805994792356416 0.00048535673277501373 0.029615984401462063 0.007655511696254556 -0.0009805994792356416 0.007655511696254556 0.010863362362202809" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39144000       2.27635000      -6.36368000       2.58237154       0.34288493      -0.09337520
O       -0.30143000       0.23566000      -2.41438000       0.14936063       0.41228446       0.21277840
O        0.00615000       0.03354000      -5.76343000      -0.10830648      -0.35362258       0.19066378
O       -2.29321000      -0.95279000      -3.76347000      -1.47126380      -0.37758595      -1.54779607
O       -0.95879000       3.11234000      -6.20822000       1.33114622      -0.69857707      -0.78823174
O       -2.46024000       1.85536000      -3.64355000       0.60558241       0.28110304       0.04197428
O       -4.68706000       0.95745000      -5.38865000      -0.24161237       0.14564862       0.35511150
O       -4.82473000      -2.42521000      -5.59365000      -1.41183914      -0.66545811      -0.54363292
O       -3.10461000       1.82675000      -7.37668000      -1.21810599       0.46864944      -0.09208296
Zn      -1.80753000      -1.01790000      -1.94833000      -0.77902359      -0.15265521       0.69478747
Zn      -1.21285000       0.61609000      -4.44085000       0.11512454      -0.23319362      -0.02427344
Zn      -0.71152000      -1.54389000      -6.55521000      -0.18312675       0.65212537      -0.56644051
Zn      -3.02328000      -2.50467000      -4.77092000      -0.21623632       0.04590709       1.31287895
Zn      -3.98153000       0.33181000      -3.61738000       0.84592909       0.13248959       0.84763846
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.50672946 magmom=-0.0001786 free_energy=-70.50672946 stress="0.01770465378894137 0.00311647990937904 0.0002745964110875135 0.00311647990937904 0.010490482436079748 -0.007288056796241076 0.0002745964110875135 -0.007288056796241076 0.012790273546600488" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35910000       2.29565000      -6.37739000      -1.00446448      -0.64700932       0.43678541
O       -0.32834000       0.23990000      -2.39739000       0.03457976       0.02050558       0.18532546
O        0.11436000       0.02700000      -5.74816000      -0.71492005      -0.26254998       0.40571599
O       -2.56394000      -0.95185000      -3.84965000       0.59021814       1.00190444       0.29097619
O       -0.84323000       3.16962000      -6.22689000      -0.26015590      -1.16051238       0.26108360
O       -2.46345000       1.76556000      -3.70580000       0.68989362       1.31754331       0.00648969
O       -4.69068000       0.96310000      -5.40576000       0.18502467       0.71141194       0.05482175
O       -4.87341000      -2.38952000      -5.68164000       0.05190691       0.22539612       0.51245216
O       -3.24589000       1.88101000      -7.49859000       0.63087553      -0.17957133      -0.90937248
Zn      -1.92719000      -1.03433000      -2.03354000      -0.45637594       0.05676939       0.91605439
Zn      -1.13721000       0.54917000      -4.31238000       0.48249881      -0.48053727      -1.02696433
Zn      -0.62614000      -1.52676000      -6.58463000       0.16857265       0.92193908      -0.53289649
Zn      -2.97153000      -2.46153000      -4.72398000      -0.82625212      -2.39662665      -0.81703243
Zn      -4.03412000       0.32444000      -3.57871000       0.42859840       0.87133708       0.21656107
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.43855704 magmom=-0.0002145 free_energy=-70.43855704 stress="0.0187959390113702 0.008731993332304653 0.0020291791789950457 0.008731993332304653 0.004390735858127434 0.0031853552933831454 0.0020291791789950457 0.0031853552933831454 0.029078068881530396" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35169000       2.29895000      -6.39006000       0.16504735       0.85551896      -1.74763499
O       -0.35367000       0.25415000      -2.33545000      -0.07061153      -0.23116852       0.18008436
O        0.07798000      -0.02660000      -5.65720000       0.29156430       0.56459336      -0.77697175
O       -2.69307000      -0.81488000      -3.95902000       1.72352756      -0.98290220       0.03954788
O       -0.74559000       3.02428000      -6.20855000      -0.64121472       1.34505885       0.31404868
O       -2.30953000       1.92939000      -3.73855000       0.29638865      -1.24531455       1.30413312
O       -4.66661000       1.05980000      -5.36164000       0.19439330      -0.28120555       0.31770628
O       -4.93165000      -2.35226000      -5.67822000       0.34580512      -0.53841726      -0.13121026
O       -3.33922000       1.91962000      -7.73907000      -0.90853504       0.22196306       1.75621180
Zn      -2.06477000      -1.05274000      -2.05728000       0.08174831      -0.97057331       0.63249416
Zn      -1.04705000       0.46348000      -4.24436000      -0.69759328       0.30084411      -0.33657973
Zn      -2.78552000      -4.04406000      -1.80846000      -0.79085330      -0.77631151      -0.52793626
Zn      -2.96511000      -2.53110000      -4.71101000       0.11402090       0.43996587      -1.19294206
Zn      -4.06157000       0.36884000      -3.52538000      -0.10368762       1.29794868       0.16904877
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.21131947 magmom=-0.0002634 free_energy=-70.21131947 stress="0.01012362937982524 0.008403156858747244 0.00678722177619233 0.008403156858747244 0.011287505132218193 0.0023667301162506142 0.00678722177619233 0.0023667301162506142 -0.00721999362606103" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38165000       2.33998000      -6.46290000      -1.03715667       0.30949441       3.69439851
O       -0.42237000       0.22405000      -2.23503000      -0.07525928      -0.08509144      -0.05660732
O        0.08362000       0.02346000      -5.71033000       0.15908018      -0.36865465       0.27264104
O       -2.50382000      -0.80380000      -4.00495000      -1.10280605      -0.96971478       0.83508312
O       -0.77275000       3.09473000      -6.14605000      -0.02964666       0.20358961      -1.39982790
O       -3.13259000      -4.10629000      -3.60856000      -0.95057402       0.02011127      -2.86570793
O       -4.57029000       1.14632000      -5.27255000       0.28813968       0.27777867      -0.94848678
O       -4.87953000      -2.36748000      -5.67262000       0.22253371      -0.35398651      -0.76966892
O       -3.49193000       1.98012000      -7.77669000       1.59176963      -0.26464094      -1.05312662
Zn      -2.22109000      -1.11896000      -2.04561000       0.08021550       0.56460389      -0.15852118
Zn      -0.97766000       0.38006000      -4.19441000      -0.04474460       0.29422738      -0.64035793
Zn      -2.73608000      -4.01618000      -1.89686000       0.02217151      -0.27295942       2.91780582
Zn      -2.96287000      -2.60881000      -4.77033000      -0.39512107       0.84182675       0.33737987
Zn      -4.08468000       0.48559000      -3.46019000       1.27139814      -0.19658425      -0.16500379
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.45657015 magmom=-0.0002775 free_energy=-70.45657015 stress="0.021916857432650913 0.00490587324016456 -0.006949420691484354 0.00490587324016456 -0.004801779741461074 0.01170052105780921 -0.006949420691484354 0.01170052105780921 0.009867199255539156" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.44149000       2.39338000      -6.41232000       2.18007592      -0.61521757      -1.97246234
O       -0.52770000       0.17525000      -2.12641000       0.25183968       0.26667549       0.09958946
O        0.14619000       0.00327000      -5.71577000       0.12279260      -0.13546684       0.54877431
O       -2.45911000      -1.00889000      -3.90030000      -0.50104862       0.34661023      -0.37927663
O       -0.85042000       3.26727000      -6.36692000      -0.61451218      -0.41900346      -0.66861035
O       -1.98388000       1.80476000      -3.75026000      -0.46394630       0.34446574       0.55689852
O       -4.40816000       1.21510000      -5.28752000      -0.22310272      -1.01541396       0.52475289
O       -4.75001000      -2.36535000      -5.76839000      -0.52017268       0.99664190       0.08164750
O       -3.46211000       2.04352000      -7.83298000      -0.90020609       0.48686294       1.70993961
Zn      -2.39485000      -1.16829000      -2.03974000       0.31409255       0.82076934       0.45110943
Zn      -0.90971000       0.29560000      -4.17214000      -0.39017514      -0.59846508      -0.36848645
Zn      -2.69160000      -4.00979000      -1.87338000      -0.52429200      -0.78656554      -0.42905184
Zn      -2.97457000      -2.63701000      -4.83566000       0.22518292       0.75433738      -0.01556805
Zn      -4.04490000       0.61423000      -3.39052000       1.04347207      -0.44623058      -0.13925607
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.69146909 magmom=6.9e-06 free_energy=-69.69146909 stress="0.013828032909965678 0.009102090943455616 -0.0007971281776426732 0.009102090943455616 0.020796546040824614 -0.008708366249304841 -0.0007971281776426732 -0.008708366249304841 -0.014513986921360026" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39875000       2.41248000      -6.39718000      -0.65281106       0.68890440       3.04409419
O       -0.56607000       0.17348000      -2.01374000       0.66750364       0.08021560      -0.36308328
O        0.23045000      -0.05814000      -5.63341000      -0.15393325       0.35474924      -0.97413067
O       -2.52832000      -1.14511000      -3.85939000       0.40182215       1.13962888      -0.22507327
O       -0.98174000       3.35256000      -6.62713000       1.06026971      -0.26474565       3.68208243
O       -2.00051000       1.74298000      -3.98024000       0.40825812      -0.10668171       1.38744242
O       -4.29234000       1.15202000      -5.27091000      -0.39146724       0.68044772      -0.53061867
O       -4.73556000      -2.20940000      -5.86537000      -1.13708043      -0.78783947       0.10388407
O       -3.50904000       2.14746000      -7.69593000       1.16041511      -0.88037105      -2.18359510
Zn      -2.54195000      -1.17313000      -2.00838000       0.91367689      -0.08844318       1.18715327
Zn      -0.87106000       0.19235000      -4.16432000      -1.23366883      -0.26071037       0.70971254
Zn      -2.67002000      -4.04125000      -1.83987000      -0.29527662      -0.75124676      -1.09622234
Zn      -2.98378000      -2.62064000      -4.90012000      -0.06496977       0.25976640      -0.67808492
Zn      -3.96127000       0.71709000      -3.36244000      -0.68273843      -0.06367405      -4.06356067
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.01960719 magmom=4.66e-05 free_energy=-70.01960719 stress="0.020876215409571405 -0.00037904727363751085 -0.0047311141116359 -0.00037904727363751085 0.018635658224179726 0.004819837750562188 -0.0047311141116359 0.004819837750562188 0.014956295747241003" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35569000       2.44908000      -6.31507000       0.45979910      -0.25935340      -4.01063555
O       -0.46924000       0.19127000      -1.97875000      -0.02286600      -0.27891546      -0.39009200
O        0.25676000      -0.04380000      -5.72622000      -0.95486524      -0.24523710       0.39834538
O       -2.53010000      -1.03768000      -3.86613000      -0.37901846      -0.06359147       0.54002651
O       -0.95363000       3.35071000      -6.37126000       1.04292136      -0.83864475      -2.84907734
O       -1.95825000       1.69352000      -3.86838000      -0.13336532       1.29545491       0.60225574
O       -4.26807000       1.16123000      -5.30118000      -0.29676714      -0.24890903       0.16342048
O       -4.90854000      -2.11421000      -5.86289000       0.63687738       0.35762829       1.17524359
O       -3.44743000       2.13218000      -7.77092000      -0.63111901       0.59412782       1.92066198
Zn      -0.39550000       1.39728000      -6.75265000       0.61810168       0.50330451      -0.23303151
Zn      -0.89544000       0.07200000      -4.12634000      -0.04160836      -0.10912824      -0.38839158
Zn      -2.66621000      -4.11360000      -1.87056000       0.19799211       0.17645004      -0.63322776
Zn      -3.00135000      -2.58273000      -4.97869000      -1.31910775       0.14498788       3.00713452
Zn      -3.89115000       0.80229000      -3.49781000       0.82302564      -1.02817399       0.69736755
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.16773737 magmom=-0.0002928 free_energy=-70.16773737 stress="0.00014148490688049866 0.0020636344065169876 -0.00037970229505423575 0.0020636344065169876 0.009424517068823777 0.007419826338536971 -0.00037970229505423575 0.007419826338536971 -0.012868173147917652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29428000       2.50142000      -6.38401000      -1.77269180       1.21733260       2.80902802
O       -0.39273000       0.15612000      -2.07114000      -0.11514616      -0.03349547      -0.87302299
O        0.08264000      -0.08690000      -5.74571000      -0.39323505      -0.39947488       0.87825958
O       -2.61015000      -0.92120000      -3.77554000      -0.47784016      -0.90301200      -0.70394523
O       -0.82024000       3.18568000      -6.44793000      -2.04803639       1.32262888       0.87755148
O       -1.92586000       1.90251000      -3.66837000      -0.37016014       0.06221237      -2.32406944
O       -4.31473000       1.17204000      -5.35894000      -0.05082857       0.36856160      -0.67045383
O       -4.99281000      -2.04576000      -5.64669000       0.63735550      -1.70880781      -0.66374851
O       -3.39168000       2.18389000      -7.65110000       1.76455604       0.02486978      -1.89733981
Zn      -0.45574000       1.41651000      -6.65813000       0.72387645      -1.03611965      -0.23837535
Zn      -0.93193000      -0.06113000      -4.10042000       0.04213858       0.73151022      -0.29662573
Zn      -2.64725000      -4.18300000      -1.93427000       0.66967744       0.65937838       1.24125624
Zn      -3.07471000      -2.53329000      -4.94021000       0.27623525       0.54236106       0.65703471
Zn      -3.76755000       0.84236000      -3.63127000       1.11409901      -0.84794508       1.20445086
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.22584934 magmom=-0.0001624 free_energy=-70.22584934 stress="0.007547032782167533 -0.000713312349689231 -0.014151375326322577 -0.000713312349689231 -0.005465994457981296 -0.0002699800099342456 -0.014151375326322577 -0.0002699800099342456 -0.003040750674271729" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28869000       2.57537000      -6.40607000       0.64839344      -2.01903191      -2.35157018
O       -0.38168000       0.14033000      -2.30372000       0.33219582       0.71741442       0.78307102
O       -0.13435000      -0.19004000      -5.64879000       0.97304901       0.49271782      -1.40202071
O       -2.75177000      -0.96914000      -3.78607000       0.87216643       0.51020019       0.73365787
O       -1.00010000       3.25000000      -6.44204000       0.65801896       0.26447130       0.17119993
O       -3.01908000      -3.95191000      -3.86377000      -0.02136456      -2.48095491       0.96764023
O       -4.36576000       1.20803000      -5.48313000       0.23427132      -0.18720001       0.35951884
O       -4.94589000      -2.18742000      -5.50255000      -0.64303574       0.83700465      -0.23896392
O       -3.16964000       2.30869000      -7.66460000      -1.58387326       0.74209707       1.43055258
Zn      -0.47840000       1.39697000      -6.58600000      -0.12351983       0.35045465      -0.32860253
Zn      -0.97355000      -0.15107000      -4.08332000      -1.15087452       0.27357868       0.71302159
Zn      -2.60640000      -4.22084000      -1.95489000      -0.59401026      -0.27704162      -0.31198268
Zn      -3.13466000      -2.45301000      -4.86575000       0.71561829       0.87591515      -1.05309741
Zn      -3.60575000       0.83363000      -3.69370000      -0.31703511      -0.09962550       0.52757536
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.11454863 magmom=-0.0001585 free_energy=-70.11454863 stress="-0.02950229295344365 -0.009235933784011437 -0.012557134730847772 -0.009235933784011437 -0.0048572429150253145 -0.00721897970538655 -0.012557134730847772 -0.00721897970538655 -0.00352623787955351" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29076000       2.54968000      -6.47751000       0.67564123       0.05369128       1.80649468
O       -0.31428000       0.26148000      -2.38000000      -0.26229445       0.00521922       0.36331924
O       -0.15701000      -0.19340000      -5.73943000       0.24744891      -0.08156192       0.95999615
O       -2.72104000      -0.96088000      -3.66059000      -0.13625222      -1.01750449       0.36550326
O       -2.12122000      -2.61608000      -6.45746000       1.24963406      -0.97277166       0.13260494
O       -1.95941000       1.81680000      -3.83442000       1.34995602       1.41339050      -0.75743093
O       -4.35545000       1.18803000      -5.52870000       0.27429841      -0.34171718      -0.14092479
O       -5.02524000      -2.22188000      -5.47665000      -0.38203743      -0.03791481      -0.44250145
O       -3.11019000       2.53160000      -7.58890000      -0.11098928      -0.38324660      -0.82430520
Zn      -0.50112000       1.39335000      -6.54128000      -0.62964876       1.66701445       0.04829674
Zn      -1.05231000      -0.20846000      -4.05476000       0.97839419       0.62658791      -1.58574697
Zn      -2.59834000      -4.26421000      -1.97858000      -0.63874947       0.19334975      -0.01284317
Zn      -3.15389000      -2.35956000      -4.84119000       0.16873623      -1.08222340      -0.20046743
Zn      -3.49254000       0.81676000      -3.71800000      -2.78413744      -0.04231305       0.28800493
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.96316058 magmom=0.0003876 free_energy=-69.96316058 stress="0.000754676846673907 -0.0029025591808211214 -0.011309319400099938 -0.0029025591808211214 0.012708345213421804 -0.012509801840693544 -0.011309319400099938 -0.012509801840693544 0.008207735364053566" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25621000       2.51357000      -6.46775000       0.54596759       0.81882903      -0.05125240
O       -0.24977000       0.37771000      -2.35942000       0.26891978      -1.41034758      -0.29062629
O       -0.10146000      -0.19501000      -5.69341000      -0.13155140      -0.07781438      -0.37669025
O       -2.67766000      -1.12049000      -3.46964000      -0.07631641       0.41824972      -1.78473943
O       -1.91861000      -2.67271000      -6.35502000      -1.11309221       0.19254151       0.27899615
O       -1.73661000       1.75408000      -4.01293000      -1.29239580       0.45075796       0.26721870
O       -4.26516000       1.06454000      -5.59267000       0.33607932       0.49579062      -0.38093324
O       -5.18653000      -2.20374000      -5.50081000       1.20859513      -0.49023064       0.40231490
O       -3.09363000       2.69199000      -7.67063000      -0.61474055      -0.53349366       0.56113917
Zn      -0.56393000       1.47939000      -6.46818000       0.07151466      -0.84859320       2.16691860
Zn      -1.09517000      -0.23844000      -4.10590000       0.96671123       0.39351264      -0.46480249
Zn      -2.62618000      -4.29218000      -2.00950000       0.60776524       1.93321633       0.00578250
Zn      -3.16032000      -2.31353000      -4.83503000       0.06054912      -1.35237051      -0.53611601
Zn      -3.51084000       0.79809000      -3.72582000      -0.83800571       0.00995217       0.20279009
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.65012243 magmom=-8e-07 free_energy=-69.65012243 stress="0.015263789255512273 -0.00576160008837897 -0.0068273225797903245 -0.00576160008837897 0.012503434870992721 -0.013942827501031528 -0.0068273225797903245 -0.013942827501031528 0.02848550941107329" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17648000       2.51305000      -6.43459000      -0.25462422       0.01758583      -2.16075783
O       -0.16579000       0.22126000      -2.39057000      -0.43273312      -0.15789651       0.48007612
O       -0.02681000      -0.21472000      -5.70852000       0.10041038       0.52389865      -0.76790249
O       -2.64260000      -1.23158000      -3.49830000       0.01488934       2.05107777       0.70840783
O       -1.82865000      -2.65662000      -6.17221000      -0.07634029       1.20468177      -1.37951096
O       -1.67638000       1.79822000      -4.20297000      -1.51731343      -1.17716292       1.71537144
O       -4.04156000       0.97189000      -5.75319000       0.14027606       0.71824238       0.17677611
O       -5.11280000      -2.26121000      -5.41478000       0.44968913      -0.18954068       0.44269461
O       -3.13974000       2.80065000      -7.75536000       0.02960706      -0.32741797       0.98072828
Zn      -0.64930000       1.54838000      -6.25389000       0.79918101      -1.90725095      -0.20030997
Zn      -1.09219000      -0.25266000      -4.21028000      -0.08454313      -0.18826683       0.94082299
Zn      -2.63399000      -4.22206000      -2.05559000       0.87959573       0.50905422      -0.86589739
Zn      -3.17338000      -2.34087000      -4.86592000      -0.36259888      -0.54801853       0.06161623
Zn      -3.61659000       0.76665000      -3.72605000       0.31450436      -0.52898624      -0.13211497
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.71563272 magmom=0.0004845 free_energy=-69.71563272 stress="-0.009108127993225553 -0.00485992229502891 -0.005983734181074876 -0.00485992229502891 0.020220597292091008 0.007726717728422866 -0.005983734181074876 0.007726717728422866 0.03841637424422465" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.13489000       2.52010000      -6.48327000      -0.55291886      -0.35414789       0.29726755
O       -0.16670000       0.01142000      -2.34988000      -0.16431969       0.62920861       0.33519479
O        0.06894000      -0.13199000      -5.84453000      -0.14651522      -0.04481561       1.16982127
O       -2.63539000      -0.98314000      -3.44473000      -0.92395649      -0.88776398      -0.57855962
O       -1.81207000      -2.45416000      -6.20809000      -0.51219964      -1.47152301       0.05037128
O       -1.92261000       1.65458000      -4.07296000       0.28364331       0.63851709       0.57943584
O       -3.76804000       1.00684000      -5.90132000      -0.30454830       0.07972394       0.10908837
O       -4.97077000      -2.38943000      -5.26324000      -1.97520249      -0.44607170      -1.14019188
O       -3.12715000       2.85506000      -7.74541000       0.04585842       0.35986061      -0.36584035
Zn      -0.69936000       1.54206000      -6.03101000       0.62341435       1.67891983      -1.48812166
Zn      -1.08331000      -0.27674000      -4.27862000       0.54803361      -0.57432451       0.44081114
Zn      -2.59383000      -4.11516000      -2.15262000       0.44714841      -0.16546942      -0.89667305
Zn      -3.18874000      -2.40019000      -4.89096000       1.78913234       0.82775504       1.65966779
Zn      -3.70682000       0.70930000      -3.73590000       0.84243024      -0.26986900      -0.17227148
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.76342484 magmom=-4.5e-05 free_energy=-69.76342484 stress="0.016410179426330575 0.0015850519393623148 -0.012299474798328054 0.0015850519393623148 0.014057105363798353 -0.002103511770329785 -0.012299474798328054 -0.002103511770329785 0.024563579969322697" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.14276000       2.49560000      -6.52076000       0.30541114      -0.31801331      -1.61995930
O       -0.22647000      -0.02941000      -2.27151000       0.05591234       0.26343638      -0.30563720
O        0.10221000      -0.08614000      -5.75973000      -0.42532742      -0.44810739      -0.05625468
O       -2.75586000      -0.97740000      -3.51400000       0.64454072      -1.29730306      -0.62928477
O       -1.86289000      -2.53972000      -6.24715000       0.20827144      -0.10922350       0.23857790
O       -2.04891000       1.65926000      -3.90119000       0.69233374       0.72868453      -1.40770646
O       -3.62001000       1.02279000      -5.97397000      -0.35691058      -0.24598334       0.00019410
O       -5.13012000      -2.50829000      -5.28890000       0.36295196       0.64181739       0.30509694
O       -3.11284000       2.97063000      -7.80659000      -2.32523419      -0.12598378       1.28491230
Zn      -0.70234000       1.60464000      -5.94284000       0.88001066       0.39598970      -1.51404497
Zn      -1.06062000      -0.32131000      -4.29684000      -0.54311821      -0.61073275       1.35594607
Zn      -2.54543000      -4.04433000      -2.24896000       0.02663478       0.13909278       1.79244071
Zn      -3.14157000      -2.40519000      -4.83406000      -0.34116653       0.56663730       0.95404542
Zn      -3.73728000       0.65900000      -3.75301000       0.81569015       0.41968905      -0.39832605
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.64674296 magmom=0.0004548 free_energy=-69.64674296 stress="0.03342225449105742 -0.00900996911488574 -0.0049271389043601755 -0.00900996911488574 0.004611316926039619 -0.00805320899861679 -0.0049271389043601755 -0.00805320899861679 0.019897776297647995" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17867000       2.45064000      -6.57886000      -1.50080668       0.19882071       2.00262303
O       -0.30238000      -0.00501000      -2.28613000       0.08737908      -0.24277874      -0.30327692
O        0.04364000      -0.12525000      -5.68577000      -0.19814215       0.52006340      -0.56923475
O       -2.74924000      -1.12622000      -3.62262000       0.51654795       2.89441642       2.13124845
O       -1.88673000      -2.59094000      -6.26020000       0.10177675       1.56861597      -0.74167121
O       -2.01019000       1.79912000      -3.99477000       0.19618144      -1.13156305       0.44878588
O       -3.56449000       0.97784000      -6.04093000      -0.60101559       0.38554243      -0.24557863
O       -5.22772000      -2.52560000      -5.32421000       0.77170589      -0.45749472      -0.63890757
O       -3.35147000       3.12042000      -7.81154000       1.55387957       0.41960629      -1.46323053
Zn      -0.65029000       1.66876000      -5.94668000       1.04852010      -2.12646289      -0.60295608
Zn      -1.06740000      -0.39788000      -4.23471000      -0.25499049      -0.10794172       1.11054892
Zn      -2.50057000      -3.97687000      -2.25191000      -0.54917743      -0.55515721       0.82966605
Zn      -3.11633000      -2.39508000      -4.74727000      -1.44292273      -1.56249391      -2.21115325
Zn      -3.72777000       0.62654000      -3.78456000       0.27106429       0.19682700       0.25313661
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.19503233 magmom=0.0012059 free_energy=-69.19503233 stress="0.022548326414825192 0.00721728743253423 -0.018047664573685934 0.00721728743253423 0.021145733373068083 -0.011263746852696554 -0.018047664573685934 -0.011263746852696554 0.05155089390753891" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28798000       2.43155000      -6.62032000       1.99071241       1.96980878      -2.27939285
O       -0.38066000      -0.02727000      -2.35698000       0.06283978      -0.05236829       1.20735391
O       -0.08865000      -0.08286000      -5.68875000       0.39482008      -0.66617109       0.89688010
O       -2.70131000      -0.89781000      -3.37915000      -1.50071147      -2.85284671      -0.32177285
O       -1.88804000      -2.35063000      -6.39555000      -0.39375929      -1.27655949       1.07447488
O       -1.89197000       1.74290000      -4.07976000       0.22079876       0.03206820       0.71528376
O       -3.64509000       0.97147000      -6.17783000      -0.46186298       0.05988776      -0.02049627
O       -5.15784000      -2.56626000      -5.40638000       0.14304239       0.28837508       0.71227324
O       -3.49415000       3.30001000      -7.94395000       0.23798597      -1.79441836       1.18906972
Zn      -0.51568000       1.65563000      -6.00548000      -0.25894445       2.03262439      -0.83366846
Zn      -1.07833000      -0.50327000      -4.09110000       1.36630890       0.81278617      -1.66282742
Zn      -2.47715000      -3.92366000      -2.19314000      -0.99598758      -1.06234855      -0.68421623
Zn      -3.15872000      -2.43512000      -4.73145000       0.16635106       0.79020352      -0.52275781
Zn      -3.69682000       0.60877000      -3.81259000      -0.97159357       1.71895859       0.52979629
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.2946339 magmom=-0.0002613 free_energy=-69.2946339 stress="0.03426174189371869 0.0031872443672597128 -0.007136788379979337 0.0031872443672597128 0.04926459637801252 -0.0027214081664872092 -0.007136788379979337 -0.0027214081664872092 0.04091088406799451" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30892000       2.52759000      -6.75225000      -0.10071373      -1.39645649       3.77016865
O       -0.48494000      -0.06679000      -2.19889000       0.01451225       0.43717183       0.43498774
O       -0.15847000      -0.12876000      -5.54128000       0.84297623       0.11278316      -0.76946907
O       -2.92335000      -1.11421000      -3.19015000       0.34795188      -0.24066351      -2.44376488
O       -1.96784000      -2.30375000      -6.35428000      -0.03361137      -1.10595157       0.48530841
O       -1.71861000       1.63784000      -4.00656000      -1.03520333       0.56245566       0.24217651
O       -3.84890000       0.98705000      -6.36279000       0.20579486       0.50247677      -0.06088758
O       -5.03727000      -2.58537000      -5.41371000      -0.63197072      -0.23884814      -0.83975303
O       -3.51397000       3.19432000      -7.98232000       1.59021327       0.63348121      -2.13444441
Zn      -0.35752000       1.72600000      -6.11754000      -0.41434307       0.25540883       0.69434694
Zn      -1.03852000      -0.58836000      -3.98826000      -1.11887040       0.66224498      -0.22554407
Zn      -2.50913000      -3.91805000      -2.15227000      -0.96443957      -0.40470736      -0.12554055
Zn      -3.21003000      -2.44940000      -4.75037000       0.71807719      -0.01116993       0.04941299
Zn      -3.69560000       0.67062000      -3.81300000       0.57962652       0.23177456       0.92300233
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.87827257 magmom=-0.0003832 free_energy=-68.87827257 stress="0.042159624340462734 0.016050830336769822 -0.02616050501914801 0.016050830336769822 0.03588666396922623 -0.023501884749259728 -0.02616050501914801 -0.023501884749259728 0.03469897235314845" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30256000       2.57724000      -6.76788000       0.43650377      -0.65953625      -1.94999471
O       -0.55238000      -0.01319000      -1.96940000       0.51737229       0.44922049      -1.13338434
O       -0.06731000      -0.17074000      -5.51573000      -0.11685944       0.50958818      -0.22821120
O       -3.03834000      -1.35494000      -3.37896000       1.61391058       2.73247290       1.33624495
O       -2.03406000      -2.47644000      -6.23320000       0.69220841       0.24132800      -0.98706984
O       -1.77294000       1.62661000      -3.89626000      -1.48224934      -0.41770156      -0.27210834
O       -3.97315000       1.02202000      -6.51393000       0.70259835      -0.27659821       0.44746071
O       -5.01612000      -2.59334000      -5.48093000      -0.18902707       0.37703641       0.27545308
O       -3.35541000       3.09702000      -8.19055000      -1.30771962      -0.17781069       1.77979625
Zn      -0.23842000       1.80380000      -6.19731000      -0.25329019      -2.07584935       0.47821384
Zn      -1.04852000      -0.62638000      -3.92088000      -0.65069903       1.06739211      -0.62124905
Zn      -2.58760000      -3.93534000      -2.12147000      -0.65663963       0.01409233       0.60351121
Zn      -3.22563000      -2.46688000      -4.77181000       0.18729371      -1.34034085      -0.72475513
Zn      -3.67743000       0.74438000      -3.76598000       0.50659721      -0.44329352       0.99609258
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.60701623 magmom=-0.0005401 free_energy=-69.60701623 stress="-0.0032730830433548167 -0.00748049227807082 -0.004892055337873022 -0.00748049227807082 0.0288108314156721 0.0033353908368302662 -0.004892055337873022 0.0033353908368302662 0.028493097226200647" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28032000       2.56584000      -6.83761000      -0.71724660      -1.36951602       2.78110008
O       -0.50495000       0.13326000      -2.02220000       0.00237794      -0.00659882      -1.23331455
O        0.00464000      -0.09828000      -5.55795000      -0.66522340       0.01273948       0.39485232
O       -2.82259000      -1.10143000      -3.41803000      -0.55163433      -1.10511552      -0.57751521
O       -1.98096000      -2.56493000      -6.29269000      -0.31890483       0.67524688       0.31484170
O       -2.09093000       1.59316000      -3.85605000       2.06176928       2.15286280      -0.61832052
O       -3.93301000       0.99934000      -6.55756000       0.13438925       0.39418190       0.27312353
O       -5.03912000      -2.53465000      -5.53395000       0.34789747      -0.16418195      -0.41344506
O       -3.39695000       3.02004000      -8.12576000       1.17910395       1.15662331      -1.61546215
Zn      -0.14636000       1.75824000      -6.23790000      -0.05354934      -2.04806579       0.64460019
Zn      -1.09317000      -0.59816000      -3.89704000       1.19790184       1.62007374      -1.84293571
Zn      -2.69476000      -3.95155000      -2.06451000      -0.10244788       0.19274231       0.37247110
Zn      -3.22400000      -2.53628000      -4.80879000       0.25669154      -0.04353154       0.63980981
Zn      -3.64819000       0.78066000      -3.66843000      -2.77112489      -1.46746078       0.88019447
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.95477203 magmom=-0.0001727 free_energy=-69.95477203 stress="0.004880479454316102 -0.007257255185882188 -0.00918389937724399 -0.007257255185882188 0.012488364403925275 0.011149605173417346 -0.00918389937724399 0.011149605173417346 0.017542321729776673" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26759000       2.50993000      -6.81870000       1.45982005       1.33439510      -1.36008350
O       -0.44122000       0.27651000      -2.31807000       0.28205479      -0.46830392       0.85641052
O       -0.05432000      -0.05459000      -5.51790000       0.11974146      -1.08727556      -0.15825450
O       -2.74820000      -1.01712000      -3.48556000      -0.74395294      -1.15069514      -0.05655905
O       -1.97081000      -2.54676000      -6.31423000       0.05119766      -1.10236747       0.21075170
O       -2.13098000       1.86722000      -3.90157000      -0.24857860      -2.67956808       2.10621342
O       -3.84208000       0.96878000      -6.51648000      -0.33971035       0.44034902       0.22442096
O       -5.00151000      -2.48124000      -5.62447000      -0.23006994      -0.34702822      -0.10097976
O       -3.35035000       3.10495000      -8.18399000      -1.38601007      -0.62194062       1.27310022
Zn      -0.06619000       1.61604000      -6.24999000      -0.79763585       1.14717587      -0.52215421
Zn      -1.06657000      -0.47932000      -3.97903000       0.38939638       1.02847230      -1.59540714
Zn      -2.80367000      -3.95295000      -1.99089000       0.58112103       0.59151984      -0.54792667
Zn      -3.20872000      -2.60510000      -4.82336000       0.31133866       2.85894978      -0.52983176
Zn      -3.72637000       0.75445000      -3.52657000       0.55128772       0.05631710       0.20029976
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.19840019 magmom=-0.0004112 free_energy=-70.19840019 stress="0.004931927115535152 -0.01154087007009708 0.0033498066257639904 -0.01154087007009708 0.018216920438788118 -0.006172487066414695 0.0033498066257639904 -0.006172487066414695 -0.03085942082672038" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21240000       2.52092000      -6.84286000      -1.21855494      -0.36766273       1.47666727
O       -0.35287000       0.28871000      -2.41105000      -0.33371789      -0.88083096       0.95717924
O       -0.03300000      -0.16919000      -5.57591000       1.33376574       0.56028936      -0.40715029
O       -2.84326000      -1.16564000      -3.54230000       1.17035348       0.89659482       0.19913571
O       -0.88421000       3.27657000      -6.21302000       0.21840349      -0.55721435       0.17395523
O       -2.14405000       1.77804000      -3.67272000      -0.62697876      -0.21511892      -1.64405888
O       -3.81283000       0.99184000      -6.43860000      -0.04340218       0.25863663      -0.17476628
O       -4.97665000      -2.46711000      -5.66456000       0.09343955       0.19790263       0.65401706
O       -3.44072000       3.12582000      -8.14366000       1.26628560       0.43990253      -1.84508833
Zn      -0.03769000       1.53986000      -6.28280000      -0.49815873       0.69848941      -0.89983549
Zn      -1.03323000      -0.32899000      -4.10659000      -2.33728401       0.24674984       1.30975137
Zn      -2.86783000      -3.93219000      -1.95534000       0.30478560      -0.60661650      -0.49525258
Zn      -3.18579000      -2.55956000      -4.84085000      -0.18704752      -0.22001742       0.91798589
Zn      -3.78789000       0.71925000      -3.39664000       0.85811056      -0.45110434      -0.22253993
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.40160882 magmom=-0.0001591 free_energy=-70.40160882 stress="0.007161246750855098 -0.0003414834500124045 -0.011870801953472121 -0.0003414834500124045 0.01633741553845048 -0.0057555548123000054 -0.011870801953472121 -0.0057555548123000054 0.02253557875658649" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.19818000       2.55381000      -6.82599000       0.39449037       0.27586753      -0.10498420
O       -0.35823000       0.12260000      -2.29302000      -0.05348757      -0.21664769       0.02265477
O        0.21434000      -0.19324000      -5.66804000      -0.91353469      -0.35679128       1.00341391
O       -2.69752000      -1.14857000      -3.56412000       0.09910162      -0.06309978      -0.09283988
O       -0.84838000       3.07907000      -6.13852000      -0.53723844       2.12669097       0.19597868
O       -2.23753000       1.58872000      -3.70591000       0.93376384       1.40774524      -0.78085414
O       -3.78854000       1.03048000      -6.39477000       0.13576394       0.78719963      -0.47514280
O       -4.94598000      -2.43479000      -5.59360000      -0.23530262      -0.41914176      -0.76304662
O       -3.40901000       3.14705000      -8.28447000      -0.93782727      -0.69903590       1.57034649
Zn      -0.03321000       1.50169000      -6.35762000       0.85861482      -1.04894677      -0.51824894
Zn      -1.11198000      -0.18561000      -4.16759000       0.18809688       0.55976466      -0.26829840
Zn      -2.90560000      -3.94407000      -1.95660000       0.39923185      -0.81476998      -0.33192494
Zn      -3.17378000      -2.51001000      -4.82035000      -0.05201155      -0.77656766       0.88264376
Zn      -3.80113000       0.66466000      -3.29821000      -0.27966118      -0.76226721      -0.33969767
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.44751257 magmom=-0.0002374 free_energy=-70.44751257 stress="0.015014964884450773 -0.007279073716714667 0.002624776248389007 -0.007279073716714667 0.01618800389625558 0.006221095521305962 0.002624776248389007 0.006221095521305962 0.008982435340252346" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20340000       2.59886000      -6.80494000      -2.15572905      -1.46427452       1.05787882
O       -0.39604000      -0.08194000      -2.17254000       0.03108972       0.76673616      -0.46503854
O        0.27084000      -0.25027000      -5.55332000      -1.59148108       0.13189283      -0.55849447
O       -2.55551000      -1.12760000      -3.57659000      -1.28208957       0.00794144       0.29002750
O       -1.92583000      -2.77295000      -6.14954000       0.46335533      -0.50031971      -1.31138890
O       -2.20541000       1.67055000      -3.92493000      -0.32736924       0.04951227       1.53043411
O       -3.69434000       1.12896000      -6.42687000       0.66098847      -0.59498876       0.12234207
O       -4.93231000      -2.42471000      -5.60003000       0.05658975       0.71289186       0.29413786
O       -3.47606000       3.06863000      -8.21413000       0.81569747       0.76658682      -1.06844955
Zn       0.00986000       1.42820000      -6.45919000       0.74567465       0.23911995       0.44083781
Zn      -1.18065000      -0.01058000      -4.23751000       1.37397977       0.29955079      -0.29653593
Zn      -2.91720000      -4.00291000      -1.97499000       1.04327934      -0.07091971       0.05214815
Zn      -3.17174000      -2.50305000      -4.74564000      -0.36170420      -0.37319075       0.42653154
Zn      -3.81574000       0.57270000      -3.22323000       0.52771865       0.02946132      -0.51443047
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.38492968 magmom=-0.0002834 free_energy=-70.38492968 stress="0.013096938719229624 -0.010124586633838367 -0.004546209541094809 -0.010124586633838367 0.01641574929290093 -0.00036274510091765285 -0.004546209541094809 -0.00036274510091765285 0.005092155442841424" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28774000       2.56801000      -6.74099000       2.93149174      -0.14251368      -0.55789240
O       -0.45179000      -0.14859000      -2.14030000       0.02257955       0.45971363      -0.27721750
O        0.01960000      -0.29068000      -5.55628000       0.86657182       0.46997059      -1.11431326
O       -2.65200000      -1.08513000      -3.55046000       0.08009215       0.39482349      -0.72630580
O       -1.90862000      -2.70906000      -6.29311000      -0.98822285      -1.53302095       1.33974915
O       -2.20647000       1.76379000      -3.84073000      -0.04503289      -0.77732402       0.76710456
O       -3.48651000       1.16334000      -6.44347000      -0.96589648       0.80208691       0.27261901
O       -4.93856000      -2.31744000      -5.60831000      -0.59273939      -0.86424918      -0.69953978
O       -3.48982000       3.09674000      -8.20437000      -1.03571562      -0.01890560       1.10296608
Zn      -2.14015000      -1.21430000      -1.70637000       0.36450052       0.43294338       0.79485673
Zn      -1.19424000       0.19069000      -4.31979000      -0.95388045      -0.17317414       1.10781392
Zn      -2.86725000      -4.06477000      -1.99663000       0.84890348       0.38068923       0.02066270
Zn      -3.18515000      -2.51414000      -4.65237000       0.18240018       0.15457774      -1.42039425
Zn      -3.81107000       0.47393000      -3.17498000      -0.71505175       0.41438258      -0.61010917
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.24904905 magmom=-0.0001914 free_energy=-70.24904905 stress="0.021448855234724944 -0.005820341833064402 0.0012144568799340204 -0.005820341833064402 -0.011730775936934706 -0.009758829305718454 0.0012144568799340204 -0.009758829305718454 -0.030397608314670026" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25539000       2.53277000      -6.71183000      -0.84186239      -0.11858277       0.29234911
O       -0.47845000      -0.09801000      -2.17519000       0.58101575       0.12110217      -0.04371478
O       -0.11736000      -0.21795000      -5.71587000       0.37021972      -0.10082897       1.46612350
O       -2.73004000      -0.99557000      -3.66672000       0.96283435      -0.52266968      -0.24519369
O       -0.97795000       3.07132000      -6.12274000       0.75356222       0.01169918       0.24830060
O       -2.26037000       1.73648000      -3.63674000      -0.96163040       0.79119050      -1.57243573
O       -3.38992000       1.21101000      -6.36747000      -0.42400904      -0.47449892       0.25482294
O       -5.03063000      -2.31508000      -5.66365000       0.21117051       0.14153976       1.13060713
O       -3.63092000       3.16785000      -8.08506000       1.12019890       0.43872830      -1.63940722
Zn      -2.02924000      -1.25056000      -1.75603000       0.04010225       1.89947210      -0.66127162
Zn      -1.23906000       0.37522000      -4.35828000       0.00001673      -1.32886010      -0.18836375
Zn      -2.77602000      -4.12377000      -2.00307000      -0.37265772      -1.41448618       1.88089771
Zn      -3.19281000      -2.52345000      -4.63092000      -0.07514260      -0.42025487      -1.13949087
Zn      -3.84807000       0.40243000      -3.15741000      -1.36381829       0.97644947       0.21677667
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.36114108 magmom=-0.0001821 free_energy=-70.36114108 stress="0.0222209035806697 -0.006182326025363009 0.0050330242966431385 -0.006182326025363009 0.026260952796197487 -0.006871558626603073 0.0050330242966431385 -0.006871558626603073 0.03063760201137495" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22525000       2.52484000      -6.69084000       0.78508866       1.84911882      -0.31360869
O       -0.40343000      -0.01585000      -2.22336000      -0.25041037      -0.05122494       0.05688157
O       -0.12944000      -0.16604000      -5.65747000       0.66286198      -0.41177979      -0.69535291
O       -2.62090000      -0.96549000      -3.81976000      -0.15566931       0.27845333       0.86049696
O       -0.94291000       2.81549000      -5.97851000       0.87902051       0.69275549      -1.26222176
O       -2.48272000       1.82374000      -3.65155000       0.29197976      -0.59356987       1.14155654
O       -3.42367000       1.17658000      -6.24252000      -0.79135378       0.28216838      -0.58984389
O       -5.10004000      -2.34602000      -5.54089000       0.19178808      -0.75401776      -0.61097393
O       -3.60622000       3.26692000      -8.15093000       0.03040760      -0.99076477       1.35564745
Zn      -1.91834000      -1.19738000      -1.83270000      -0.69611561      -0.19284381      -0.17706772
Zn      -1.29902000       0.49792000      -4.39883000      -0.65126009      -0.48244580      -0.34165182
Zn      -2.70682000      -4.25018000      -1.92164000      -0.96558878      -0.15591855       0.82974042
Zn      -3.20827000      -2.54903000      -4.67369000      -0.08564585       0.37095088      -0.28888059
Zn      -1.71551000       2.95100000      -7.97335000       0.75489721       0.15911839       0.03527839
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.98753146 magmom=-6.78e-05 free_energy=-69.98753146 stress="0.005241840250924726 -0.005635404744260764 0.00035616912180073176 -0.005635404744260764 0.02645354796079671 -0.0018486956628546007 0.00035616912180073176 -0.0018486956628546007 0.019607163181743516" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.18596000       2.60488000      -6.68626000      -1.66984386      -1.92575241       1.55085882
O       -0.34496000       0.06584000      -2.26121000      -0.07022624       0.16080239      -0.04871716
O       -0.02379000      -0.19051000      -5.67782000      -0.27759956       0.56064952      -0.23430840
O       -2.54547000      -0.91482000      -3.81625000      -0.92528889      -0.83052032      -0.12799427
O       -0.76545000       2.74384000      -6.04959000      -1.32750128       1.42245664       0.79300440
O       -2.65397000       1.83687000      -3.50143000       1.39434697       0.10727782      -0.20215713
O       -3.60291000       1.14624000      -6.22437000      -0.14552720       0.50787463      -0.72374687
O       -5.10197000      -2.44013000      -5.43943000       0.48192917       0.96553154       0.19603025
O       -3.54134000       3.22613000      -8.06733000      -0.21738360       0.81220671      -1.26233465
Zn      -1.83674000      -1.15439000      -1.92610000      -0.29131022      -2.26654667       0.08317435
Zn      -1.38598000       0.58638000      -4.46629000       0.12444419      -0.53621501      -0.85096905
Zn      -2.68882000      -4.38977000      -1.78433000      -0.81080519       1.05216475       0.46051892
Zn      -3.22520000      -2.56284000      -4.73297000       0.69677856       0.06194153       0.66064778
Zn      -1.77413000       2.93763000      -7.94984000       3.03798716      -0.09187112      -0.29400698
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.15313203 magmom=-0.000133 free_energy=-70.15313203 stress="0.011069534625429983 8.110986536247928e-05 -0.010025265255699332 8.110986536247928e-05 0.02860872842914973 0.0020304496693851646 -0.010025265255699332 0.0020304496693851646 0.03923050800018265" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23036000       2.64002000      -6.62239000      -0.14122759       1.04679793      -1.34461046
O       -0.36185000       0.17784000      -2.30862000      -0.33212269      -0.35006079       0.47547852
O        0.02831000      -0.11593000      -5.75875000      -1.12997352      -0.16004176       0.67928880
O       -2.64628000      -1.00239000      -3.81336000       0.37209672       0.69887348       0.12534347
O       -0.82683000       2.91985000      -5.99352000      -0.38982756      -1.22360439      -0.07705676
O       -3.58834000      -4.16107000      -3.45619000       0.76847642      -0.19844367      -1.18473044
O       -3.78705000       1.11737000      -6.32936000       0.41973386      -0.05179499       0.14976212
O       -5.01770000      -2.38461000      -5.34908000      -0.69996183      -0.43928419      -1.17725486
O       -3.53611000       3.27057000      -8.08810000      -0.01794354      -0.58740226       1.59115227
Zn      -1.77753000      -1.22463000      -2.01968000      -0.60634832      -0.53003538       0.02981286
Zn      -1.47539000       0.64713000      -4.58328000       0.63536852      -0.78154100      -0.29755474
Zn      -2.71440000      -4.47109000      -1.60967000       0.12041774       2.33526443      -0.02516622
Zn      -3.20577000      -2.57150000      -4.75948000       0.26940884      -0.27263384       1.22538087
Zn      -1.68000000       2.92224000      -7.94109000       0.73190295       0.51390643      -0.16984544
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.25343292 magmom=-0.0006108 free_energy=-70.25343292 stress="0.006005652382566585 0.014145109643831848 0.009463881605280756 0.014145109643831848 0.013804296600556163 -0.007871379725727677 0.009463881605280756 -0.007871379725727677 -0.00033724848620634673" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30887000       2.68818000      -6.62153000      -0.94555682      -1.58314600      -0.10365158
O       -0.48132000       0.21884000      -2.25557000       0.36025865      -0.39212509       0.63039276
O       -0.14642000      -0.06265000      -5.71670000       0.32309907      -0.58820181      -0.39239092
O       -2.68540000      -0.98817000      -3.80591000       0.91152240      -0.20151161      -0.43137662
O       -0.93790000       2.89491000      -5.98076000       1.10050265      -0.44921724      -1.06810104
O       -3.29743000      -4.17540000      -3.55574000      -1.02801294       0.13334564       0.49003127
O       -3.89537000       1.11412000      -6.41627000       0.22560693       0.73025051       0.50735778
O       -5.02846000      -2.34191000      -5.40980000      -0.24181656      -0.04372853       0.39640190
O       -3.49332000       3.26529000      -7.91521000       1.22162355       0.47601308      -1.20132390
Zn      -1.74655000      -1.33798000      -2.11575000      -0.46593501       0.04524720       0.43770984
Zn      -1.53536000       0.66651000      -4.72997000       0.50803937      -0.53735391       0.01255463
Zn      -0.50895000      -1.86416000      -6.26252000      -0.40114746       0.78664069      -0.79588789
Zn      -3.17948000      -2.58906000      -4.71380000      -0.79521978       0.21928610       1.08921748
Zn      -3.76410000       0.36324000      -3.10189000      -0.77296404       1.40450097       0.42906629
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9717262 magmom=9.51e-05 free_energy=-69.9717262 stress="0.014208011809979847 0.011055091461237232 -0.007046007820513069 0.011055091461237232 0.0014886872202697916 -0.006413764872482654 -0.007046007820513069 -0.006413764872482654 0.009051732257058286" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38935000       2.69003000      -6.65838000       2.34927154       0.29925729      -0.10390152
O       -0.56695000       0.17329000      -2.09184000       0.56678758      -0.08917884      -0.20157392
O       -0.20790000      -0.11551000      -5.75633000       1.40629420       1.03579705      -0.35239822
O       -2.54087000      -0.98180000      -3.88344000       0.17991136       0.04826632      -0.53885813
O       -0.83927000       2.76775000      -6.10723000      -0.06451379       0.27636560       1.45614663
O       -2.15839000       1.82667000      -3.51181000      -0.86073365      -0.10023957       0.29962972
O       -3.91848000       1.15893000      -6.37671000       0.15375509       0.14040045       0.34370876
O       -5.10137000      -2.34026000      -5.41962000       0.01204360      -0.52687722      -0.03243514
O       -3.31691000       3.29547000      -7.87561000      -1.52462879      -0.39373698       0.22588945
Zn      -1.74646000      -1.43641000      -2.17877000      -0.41631041       0.43811903       0.70563044
Zn      -1.57157000       0.66338000      -4.85231000      -0.19300014       0.28289805       0.62228923
Zn      -0.56061000      -1.80038000      -6.14085000      -0.74810992      -2.10643586      -1.32412643
Zn      -3.19262000      -2.59751000      -4.62578000      -0.33616070      -0.01843660      -0.70961004
Zn      -3.66068000       0.44412000      -3.08762000      -0.52460596       0.71380127      -0.39039084
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.8134415 magmom=-0.0003595 free_energy=-69.8134415 stress="0.024233149745134516 -0.010676620366273168 -0.0008961330800614813 -0.010676620366273168 0.005207869545514716 0.00870240576412735 -0.0008961330800614813 0.00870240576412735 0.02028448788859022" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34577000       2.68982000      -6.67921000       0.10746841      -0.76595036       2.03562499
O       -0.52922000       0.11074000      -1.98931000       0.31878904       0.11296021      -0.82882402
O       -0.00551000      -0.09156000      -5.83530000      -1.13468444      -1.49951563       1.59408450
O       -2.33682000      -0.97887000      -4.07335000      -0.52401672      -0.09604800       0.66311254
O       -0.77221000       2.68930000      -5.96915000      -1.14623842       0.03302021      -0.02031720
O       -2.28515000       1.81986000      -3.46577000       0.56401329       0.46057812      -0.30992183
O       -3.87003000       1.18845000      -6.25334000       0.62327211      -0.26742257      -0.19455700
O       -5.14972000      -2.40951000      -5.38251000       0.67283993       0.31652606       0.01137268
O       -3.35424000       3.27989000      -7.88915000       0.42615053       0.05952781      -0.74960088
Zn      -1.76414000      -1.49382000      -2.21776000       0.56648321       2.09433839      -1.23670448
Zn      -1.61136000       0.67342000      -4.94376000       0.91902628       0.30523494      -0.05986140
Zn      -0.64824000      -1.82758000      -6.09102000       0.50124071      -0.23070760      -0.61752530
Zn      -3.22974000      -2.60409000      -4.57231000      -0.31687248       0.27127748      -0.71705255
Zn      -3.59809000       0.56857000      -3.08422000      -1.57747144      -0.79381906       0.43016995
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.42726409 magmom=-0.0001183 free_energy=-69.42726409 stress="0.035764110601856566 -0.005701277175945171 -0.012906307645205155 -0.005701277175945171 0.03182229359615931 -0.01201603853786555 -0.012906307645205155 -0.01201603853786555 0.04886102685789484" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23606000       2.63966000      -6.58496000       0.09152000      -0.60495316      -0.91469110
O       -0.41254000       0.04779000      -2.05897000       0.75808286       0.03490934       0.20814536
O        0.06507000      -0.25117000      -5.67014000      -0.31672866       1.10495703      -1.36160326
O       -2.20755000      -0.99758000      -4.16332000      -1.01481948      -0.21570743       0.92893976
O       -0.93049000       2.60195000      -5.77931000       0.42528863       0.27103199      -1.72729171
O       -3.39074000      -4.10609000      -3.52532000       0.64402978      -0.91463309       0.84412739
O       -3.64341000       1.15195000      -6.12640000       0.05023304       0.58050088      -0.43358319
O       -5.05948000      -2.41029000      -5.31560000      -0.36047877       0.38006934      -0.69491416
O       -3.37945000       3.23142000      -8.00699000      -0.14404565      -0.68527962       1.85005951
Zn      -1.76495000      -1.46438000      -2.31223000      -0.03427522      -0.50928210       1.12009789
Zn      -1.60872000       0.70791000      -5.06214000       0.67437465       0.20700177       0.30752014
Zn      -0.74429000      -1.90237000      -6.07010000       0.60686027      -0.06723310      -0.12022940
Zn      -3.29836000      -2.58827000      -4.55063000       0.43582624       1.42286303      -0.25270653
Zn      -3.62241000       0.68501000      -3.05820000      -1.81586769      -1.00424487       0.24612927
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.30550769 magmom=1.75e-05 free_energy=-69.30550769 stress="0.008192550614954025 -0.007535392492477943 -0.01824960208531836 -0.007535392492477943 0.03880376922424257 -0.007244296271284101 -0.01824960208531836 -0.007244296271284101 0.016566621023808663" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.09341000       2.53926000      -6.49776000      -1.60340969       0.01091056       0.56626823
O       -0.19804000      -0.03852000      -2.11539000      -0.30328282      -0.74807316       0.64267543
O        0.04118000      -0.25695000      -5.72709000      -0.40754583       0.49635194      -0.96524404
O       -2.27391000      -1.04747000      -4.08637000      -0.25220106       0.95840769      -0.51362000
O       -1.05019000       2.57405000      -5.92705000       0.80651707       0.86060822      -0.70861517
O       -3.28919000      -4.14463000      -3.37436000      -0.58868842      -0.31842969      -0.38280535
O       -3.32449000       1.13850000      -6.04714000      -0.95227993      -0.37153769       0.01348470
O       -5.01399000      -2.30059000      -5.36676000      -0.76748614      -0.28017597      -0.57151108
O       -3.38483000       3.06693000      -7.87720000       0.82218389       0.69129389      -1.45202719
Zn      -1.76247000      -1.44440000      -2.36729000       0.32166443      -0.95841837       1.96585885
Zn      -1.56315000       0.75893000      -5.18669000       0.45649719      -0.64833910       1.27917192
Zn      -0.82168000      -1.99135000      -6.05473000       1.11942917       1.29025162      -0.25790852
Zn      -3.36060000      -2.50401000      -4.53387000       0.70986460      -0.79258542       0.81003171
Zn      -1.51981000       3.33957000      -7.84717000       0.63873754      -0.19026451      -0.42575950
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.81557919 magmom=0.0001563 free_energy=-68.81557919 stress="0.002280074557682623 -0.013371835621532494 -0.019590354385727912 -0.013371835621532494 0.03071173559843272 -0.006842514256964996 -0.019590354385727912 -0.006842514256964996 0.013390177226083762" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.02189000       2.45615000      -6.43307000      -2.37779394       0.34919128      -2.45541972
O       -0.13482000      -0.27546000      -2.06108000       0.82788519      -0.26655684       0.73931136
O       -0.05224000      -0.17832000      -5.96277000      -0.04914352      -1.28905889       0.78004912
O       -2.38282000      -0.92508000      -4.07825000       0.27190993      -0.11630727       0.02569061
O       -1.00427000       2.65568000      -6.16943000      -0.01053112      -0.94664202       1.89708063
O       -3.29636000      -4.23724000      -3.31611000      -0.14491247       1.20363534      -1.68142546
O       -3.23015000       1.06970000      -5.97881000      -1.28951740       0.11905905      -0.05507850
O       -5.09138000      -2.23597000      -5.47491000       0.57030715      -0.51882505       0.61077803
O       -3.35346000       2.98308000      -7.90881000      -1.28933642      -0.33060212       0.19595651
Zn      -1.74734000      -1.46764000      -2.33253000       0.31658773       0.52622484      -0.53605709
Zn      -1.49823000       0.77845000      -5.23300000      -0.02283199      -0.08487767       1.85817008
Zn      -0.83144000      -2.00316000      -6.05481000       1.52600551       2.20129201      -0.53348098
Zn      -3.38637000      -2.45616000      -4.48288000       0.24818672      -0.98898580       0.65315140
Zn      -1.60846000       3.40635000      -7.83303000       1.42318464       0.14245314      -1.49872599
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.2510717 magmom=-2.93e-05 free_energy=-69.2510717 stress="0.010712038814690962 -0.011172917103896864 -0.016168155117046633 -0.011172917103896864 0.018600912067434406 -0.003240832816176867 -0.016168155117046633 -0.003240832816176867 0.02212397726931056" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.07351000       2.39876000      -6.48504000       0.45536374       0.34261319       0.23137175
O       -0.08348000      -0.57052000      -1.88741000      -1.93049424       0.30164461      -0.26197575
O       -0.13949000      -0.30507000      -6.05709000       1.18181715       2.31655146       0.51125480
O       -2.42959000      -0.81904000      -4.06502000       0.08128204      -0.74033925       0.56131071
O       -0.92018000       2.60662000      -6.06575000       0.63892913       0.85781050      -0.14369626
O       -3.35639000      -4.10134000      -3.59480000      -0.13054750      -1.28264235       0.66171003
O       -3.39041000       1.00228000      -5.91848000       0.61204407       0.40113959      -0.25518279
O       -5.06428000      -2.30209000      -5.47133000       0.17153032      -0.88523506      -0.43335315
O       -3.50397000       2.88319000      -8.00117000       0.97270470       0.28344111       0.07794696
Zn      -1.72203000      -1.47269000      -2.31401000      -0.55891035       0.37777145      -0.59876204
Zn      -1.44235000       0.79026000      -5.17235000      -1.07094254       0.13771288       1.30024479
Zn      -0.76879000      -1.90877000      -6.08771000      -1.16294466      -2.35248622      -0.54239637
Zn      -3.39617000      -2.46123000      -4.39770000       0.37751723       1.33287774      -0.51058647
Zn      -1.61769000       3.46902000      -7.89603000       0.36265090      -1.09085965      -0.59788620
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.89806974 magmom=-0.0002533 free_energy=-68.89806974 stress="0.006891315405967507 -0.013748468392330696 -0.020449938112091566 -0.013748468392330696 0.008043559637991193 -0.011105108175349553 -0.020449938112091566 -0.011105108175349553 0.011649228017495737" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.15566000       2.33604000      -6.56072000      -0.85442829      -1.93273088      -0.26241304
O       -0.24856000      -0.74856000      -1.70752000       3.42180885       2.65490675       0.11241421
O       -0.05829000      -0.15355000      -5.99387000      -1.02235800      -1.64054640       0.97489149
O       -2.46336000      -0.85415000      -3.95938000      -0.16571496       0.46766088      -0.37656458
O       -0.73685000       2.68610000      -5.94105000      -1.01495155      -0.25316000      -0.42326770
O       -2.37674000       1.81837000      -3.69697000       0.85444407       0.91512828       1.28798803
O       -3.42744000       0.99995000      -5.91417000       0.63486459       0.24229541      -1.01722262
O       -4.99288000      -2.50228000      -5.50322000      -0.23675539       0.83297092       0.21784785
O       -3.46862000       2.83720000      -8.07589000       0.20965792      -0.10976315       1.11619523
Zn      -1.72673000      -1.45109000      -2.33519000      -1.69299951       0.04261507      -0.78926017
Zn      -1.43715000       0.80836000      -5.03443000       0.01632030      -0.21724663      -0.17032437
Zn      -0.73895000      -1.88695000      -6.15220000       0.69086562       1.17775485      -0.03440064
Zn      -3.38246000      -2.39880000      -4.33172000       0.15039567      -0.25561668      -0.80746694
Zn      -1.60891000       3.47280000      -8.00247000      -0.99114931      -1.92426841       0.17158327
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.28105441 magmom=-0.0001741 free_energy=-69.28105441 stress="-0.004538847855843086 -0.012052194526692222 -0.010438195435437975 -0.012052194526692222 0.011904134789132484 -0.004913851055989645 -0.010438195435437975 -0.004913851055989645 0.018516687433116238" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.18405000       2.22219000      -6.61954000       3.62100700       1.85228658       2.31003603
O       -0.23249000      -0.55452000      -1.59111000      -2.21765626      -0.53109095      -0.99357651
O       -0.08368000      -0.15709000      -5.77867000       0.47633991       0.21756403      -0.81410511
O       -2.51911000      -0.78338000      -3.92573000      -0.24588636       0.72584526      -0.54591444
O       -0.72996000       2.72550000      -5.91505000      -0.64831129      -0.07877611      -0.30904228
O       -2.31341000       1.83203000      -3.53960000      -0.13853256       1.09343252       0.87027914
O       -3.27807000       0.96943000      -6.08821000      -0.14089797      -0.81120777      -0.08551208
O       -4.96591000      -2.59020000      -5.52801000       0.05147232      -0.23276859      -0.35662587
O       -3.37744000       2.78812000      -7.99328000      -1.14116496       0.04156805      -0.96677715
Zn      -1.79870000      -1.42230000      -2.36321000      -0.24540951      -0.17718703       2.45181196
Zn      -1.43805000       0.81759000      -4.89852000       0.18893742       0.29107491      -0.51150830
Zn      -0.68985000      -1.83418000      -6.22261000      -0.11028446       0.01738542      -0.05346076
Zn      -3.36773000      -2.33439000      -4.32498000      -0.45817765      -1.81908715      -1.42557804
Zn      -3.88226000       0.79890000      -3.26911000       1.00856438      -0.58903917       0.42997340
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.38123918 magmom=-0.0001623 free_energy=-69.38123918 stress="0.04714976181732086 -0.006174794745825316 -0.01648153371306515 -0.006174794745825316 0.03663484678155653 -0.010143212551613335 -0.01648153371306515 -0.010143212551613335 0.025802003451628447" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.07762000       2.18218000      -6.56313000      -1.62466560      -0.52113430      -1.38647421
O       -0.33747000      -0.38037000      -1.69314000       2.33863436      -0.19166898      -0.75595392
O       -0.04294000      -0.14750000      -5.68353000       0.46287097       0.73575076      -0.39764349
O       -2.62176000      -0.61333000      -3.99389000       0.32241240      -1.44430300       0.33322807
O       -0.89642000       2.72507000      -5.95151000       0.03288010       0.66189534      -0.17709339
O       -3.31483000      -3.93337000      -3.31410000      -0.64161867      -1.05280247      -1.29633248
O       -3.15566000       0.80898000      -6.28607000      -1.12935599       0.92400584       0.44770462
O       -4.90809000      -2.63683000      -5.54149000       0.38052878       0.51120417       0.77890320
O       -3.49952000       2.75183000      -8.05992000      -0.35848744       0.17343943       0.40181724
Zn      -1.89047000      -1.39975000      -2.28397000      -0.48279164       0.27952603       1.30477178
Zn      -1.42727000       0.84149000      -4.79615000       0.15571523       0.76786723      -0.19604110
Zn      -0.64219000      -1.77836000      -6.29195000      -0.62768149      -1.31259402       0.47454306
Zn      -3.36867000      -2.35524000      -4.39040000       0.84171485      -0.09001421      -0.82456006
Zn      -3.88062000       0.66323000      -3.33814000       0.32984415       0.55882818       1.29313067
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.52239248 magmom=0.0002777 free_energy=-69.52239248 stress="0.020099015328235652 -0.0014747830540806255 -0.009492821710508885 -0.0014747830540806255 0.031829085344246714 0.007667055517179096 -0.009492821710508885 0.007667055517179096 0.01907959735096891" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.04894000       2.17348000      -6.56810000       0.57385330       1.58862537      -0.75897964
O       -0.15134000      -0.31719000      -1.93103000      -2.48018642      -0.84758653       0.14689064
O        0.06189000      -0.03303000      -5.67431000      -0.94694663      -1.25834404       0.56025416
O       -2.61492000      -0.72284000      -3.98613000       0.93645755      -0.10512300       0.78056310
O       -1.00607000       2.84018000      -6.02231000       0.73874335       0.01969099      -0.04065060
O       -3.38809000      -3.93932000      -3.31893000       0.02533337      -1.19725148      -1.16763338
O       -3.23427000       0.76642000      -6.33940000      -0.05628562      -0.19506990       0.68689408
O       -4.83713000      -2.64441000      -5.47890000      -1.18109956      -0.56942525      -0.81835770
O       -3.65387000       2.76735000      -8.08628000       1.81729240       0.55701634      -0.21105246
Zn      -1.98455000      -1.36060000      -2.15816000       0.23516843       1.24196680      -0.51935878
Zn      -1.41256000       0.89539000      -4.72530000       0.12449157      -0.13305551      -0.21191305
Zn      -0.63548000      -1.79096000      -6.32225000      -0.17989457       0.51575843       0.64878633
Zn      -3.32841000      -2.38388000      -4.48505000       1.13125337      -0.14454768      -0.19821064
Zn      -3.85950000       0.58342000      -3.32915000      -0.73818053       0.52734546       1.10276794
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.08781404 magmom=-0.0003043 free_energy=-70.08781404 stress="0.024253468397633482 -0.009241286845520795 -0.0007178907400519222 -0.009241286845520795 0.0339369095979259 -0.006240087054202508 -0.0007178907400519222 -0.006240087054202508 0.01504028919606115" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.05711000       2.22580000      -6.65849000      -2.21767896      -0.90927912      -0.63699586
O       -0.24902000      -0.41050000      -2.12363000       1.72003293       0.42585636       0.46918036
O       -0.02748000      -0.13316000      -5.59388000      -0.52822099       0.55369714      -0.40733961
O       -2.43690000      -0.88878000      -3.84096000      -0.92566051       0.24062442      -0.57523836
O       -0.97242000       2.94918000      -6.09111000       0.16362425      -0.58845591       0.38624896
O       -3.47031000      -4.16047000      -3.56866000      -0.05929266       1.25080920       1.17482196
O       -3.35457000       0.76139000      -6.24639000      -0.28146612       1.34896358      -0.27803330
O       -4.94907000      -2.69303000      -5.48973000      -0.03166550       0.11506891      -0.14085583
O       -3.44865000       2.89010000      -8.12206000      -0.72109126      -0.41966239       0.64382146
Zn      -2.05944000      -1.27007000      -2.04765000       0.65382051      -0.66298464       0.79850637
Zn      -1.38679000       0.93104000      -4.67489000       1.01065896      -2.25021531      -1.02182533
Zn      -0.63985000      -1.78013000      -6.31546000      -0.05220718       0.87164418      -0.19486268
Zn      -3.23498000      -2.41877000      -4.59045000       0.00950289      -0.11211746      -0.10199212
Zn      -3.87224000       0.53817000      -3.26107000       1.25964364       0.13605104      -0.11543604
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.88736834 magmom=-0.000392 free_energy=-69.88736834 stress="-0.012329758831542676 -0.0030584129404867175 0.008527377651521402 -0.0030584129404867175 -0.004370503706703445 -0.004530400572426078 0.008527377651521402 -0.004530400572426078 0.0010689831181938067" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.15923000       2.25849000      -6.76412000       0.31214417       0.50562805       2.53230625
O       -0.23807000      -0.45971000      -2.23379000      -1.63846790       0.16753306      -0.24841839
O       -0.18787000      -0.13775000      -5.58739000       1.54963857       0.18307395      -0.91652537
O       -2.43099000      -0.97657000      -3.79261000      -0.88594626       0.47764610      -0.24103256
O       -0.88285000       2.92525000      -6.07432000       0.00121507      -0.22772704       0.39886371
O       -2.45710000       1.85147000      -3.53742000       1.10839409       0.62386079       0.49018436
O       -3.47291000       0.91242000      -6.18834000       0.69772608      -0.98681887      -0.32905279
O       -5.06758000      -2.70267000      -5.53984000       0.33169267       0.54019910      -0.18724116
O       -3.39426000       2.94182000      -8.07555000      -0.35475064       0.21397755      -1.22881406
Zn      -2.09080000      -1.21086000      -1.91887000       1.10544908      -0.86106756      -0.50604069
Zn      -1.32971000       0.85982000      -4.66451000      -1.71708682      -0.55840934       1.49142278
Zn      -0.65102000      -1.72897000      -6.32038000      -0.23525968       0.15742165      -0.76679106
Zn      -3.15294000      -2.45802000      -4.69277000      -1.18184184      -0.15546213       0.24114462
Zn      -3.81734000       0.50435000      -3.20308000       0.90709343      -0.07985532      -0.73000564
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.95074675 magmom=-0.0002893 free_energy=-69.95074675 stress="0.028175051354487973 -0.0013703630932423105 0.010905085015705656 -0.0013703630932423105 -0.0012529320887216882 -0.005804262070280735 0.010905085015705656 -0.005804262070280735 0.02301498421665148" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26353000       2.30753000      -6.75193000       1.07192624       0.22692702      -0.67688328
O       -0.40528000      -0.41973000      -2.36914000       1.48750695       0.79683903       0.34365915
O       -0.07476000      -0.10344000      -5.71608000      -0.20384415      -0.77679537       1.76467615
O       -2.63128000      -0.94656000      -3.82857000       0.50535053       0.17437580      -0.08105915
O       -0.79330000       2.86645000      -5.96710000      -0.13523018       0.75746558      -0.35755484
O       -3.37935000      -4.00390000      -3.49980000       0.22711881      -1.13754719      -0.27163597
O       -3.47463000       0.93531000      -6.22370000      -0.52203499       0.94093971      -0.53508070
O       -5.11057000      -2.57272000      -5.60119000       0.10672675      -0.36534931      -0.36582403
O       -3.49801000       2.97937000      -8.17522000       0.23077662      -0.72974672       1.62655589
Zn      -2.05792000      -1.19713000      -1.81770000       1.10481484       0.20843353      -2.24300031
Zn      -1.34560000       0.72838000      -4.58665000      -0.66107985      -0.83107937       1.01890575
Zn      -0.67708000      -1.66531000      -6.36875000      -0.11190752      -0.39385521      -0.63232640
Zn      -3.13335000      -2.50369000      -4.78293000      -1.39803957       0.37241327       0.78949407
Zn      -3.70295000       0.47023000      -3.18470000      -1.70208447       0.75697925      -0.37992632
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.0692002 magmom=-0.000293 free_energy=-70.0692002 stress="0.013091965678244903 -0.0008992784636194337 0.016596607330796473 -0.0008992784636194337 -0.003425940947296589 -0.003309571298919805 0.016596607330796473 -0.003309571298919805 -0.0025478628304797693" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30237000       2.38750000      -6.75943000       0.23218846       0.13906036       0.42044900
O       -0.41720000      -0.22618000      -2.46222000      -0.08550453       0.03121458       0.31357739
O        0.06692000      -0.17134000      -5.56020000      -0.84821251       0.86912845       0.10128855
O       -2.72964000      -0.91651000      -3.90460000       0.76141290      -0.79707771       0.09413675
O       -0.72278000       2.92809000      -5.93429000      -0.58342653      -0.30280615      -0.77004582
O       -3.17450000      -4.04733000      -3.47520000      -1.18589514       0.13330649      -1.28212310
O       -3.52529000       1.03016000      -6.34283000      -0.10692285      -0.69835498       0.67437060
O       -5.11154000      -2.45106000      -5.67406000       0.31882161      -0.15099250       0.72169038
O       -3.50115000       2.92098000      -8.06591000       1.74115870       1.00464116      -1.62618259
Zn      -1.96050000      -1.18960000      -1.81995000       0.11835725      -1.01954853      -0.22011590
Zn      -1.40625000       0.54165000      -4.43840000       1.56065933      -1.10866760      -0.57461820
Zn      -0.70750000      -1.61142000      -6.44994000       1.02854300       0.75973585       0.89887095
Zn      -3.19710000      -2.53490000      -4.83580000      -0.95059976       0.11366962       0.75462987
Zn      -3.67635000       0.48191000      -3.18127000      -2.00057991       1.02669097       0.49407212
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.33915218 magmom=-0.000176 free_energy=-70.33915218 stress="-0.0013472971780864973 -0.0032441286013802258 0.00270474798080389 -0.0032441286013802258 0.02543515040161545 0.0002529089519466792 0.00270474798080389 0.0002529089519466792 0.027500166054101993" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27189000       2.48326000      -6.78228000       1.69578769       0.42063188      -0.70157220
O       -0.42124000      -0.03383000      -2.46485000       0.72968998      -0.21264658       0.73364145
O        0.05728000      -0.10028000      -5.40071000       0.28082833      -0.26035835      -2.08789477
O       -2.67208000      -1.03151000      -3.92851000      -0.35610427       0.15876255       1.40791886
O       -0.75748000       2.94958000      -6.07009000      -0.24747235       0.17597731      -0.40511671
O       -3.21992000      -4.09153000      -3.65124000      -0.96152592      -0.25008855       0.70506621
O       -3.63437000       1.04291000      -6.34276000      -0.72528459       0.62986159       0.10277893
O       -5.06998000      -2.38483000      -5.62530000      -0.58662079      -0.85940270      -0.75904305
O       -3.28999000       2.99337000      -8.11218000      -2.68321682      -0.16394197       0.80009676
Zn      -1.86330000      -1.22795000      -1.84223000      -0.74277589      -0.41887470       0.34745864
Zn      -1.39356000       0.31464000      -4.32311000       0.81017206       0.54140507      -0.42829312
Zn      -0.69098000      -1.52920000      -6.49264000       0.57765973       0.50175259       0.19580684
Zn      -3.30562000      -2.55843000      -4.84672000       0.58583834      -0.27510513       0.16344133
Zn      -3.74475000       0.54463000      -3.15934000       1.62302451       0.01202699      -0.07428919
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.40537726 magmom=-0.0002816 free_energy=-70.40537726 stress="0.0006591902642248318 -0.014898828125504002 -0.0031388566870292458 -0.014898828125504002 0.008868759951636914 0.0044431705952902145 -0.0031388566870292458 0.0044431705952902145 -0.012544293624734436" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.19296000       2.56533000      -6.82114000      -2.05209579      -1.80613146       1.11912437
O       -0.35814000       0.08479000      -2.35878000      -0.73832760      -0.26075162      -0.23658696
O        0.05932000      -0.08018000      -5.58749000      -0.15655223      -0.34941983       1.32753107
O       -2.68116000      -1.11019000      -3.70454000      -0.04170527      -0.27751241      -0.16872437
O       -0.83006000       2.99767000      -6.21395000       0.27755707       0.46387886       1.64038891
O       -2.36837000       1.84142000      -3.61849000       0.90292188       0.08169322      -0.00660575
O       -3.80835000       1.07298000      -6.29495000       0.42922174       0.29339211      -0.42619445
O       -5.10638000      -2.40470000      -5.63383000       0.27602824       1.01767701       0.64050872
O       -3.41237000       3.08773000      -8.15509000       0.95921311       0.41836749      -1.34969455
Zn      -1.82013000      -1.27132000      -1.85070000      -0.36181039       1.66989374      -0.61441443
Zn      -1.33413000       0.15522000      -4.25712000       0.55299254       0.91321460      -0.35917881
Zn      -0.65239000      -1.44780000      -6.51978000      -0.76775562      -1.74024726      -1.17825831
Zn      -3.36389000      -2.58724000      -4.84317000       1.34442874      -0.04480601       0.49695482
Zn      -3.75296000       0.59568000      -3.15189000      -0.62411642      -0.37924845      -0.88485028
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.34003155 magmom=-9.26e-05 free_energy=-70.34003155 stress="0.01864428118111259 -0.008553938437297163 -0.00989622644854412 -0.008553938437297163 0.0331626034172624 0.003518293449560739 -0.00989622644854412 0.003518293449560739 0.022748738551559324" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22233000       2.59387000      -6.81951000      -0.73626162       1.80207995      -0.16149586
O       -0.43107000       0.13198000      -2.29918000       0.59492988      -0.04844586      -0.07108531
O        0.05449000      -0.11569000      -5.55281000       0.12781141       0.16060568      -0.04772311
O       -2.70997000      -1.21108000      -3.53993000      -0.08448968       0.81656681      -1.22323887
O       -0.84869000       3.13420000      -6.05315000      -0.00548845      -0.27242718      -0.45304204
O       -2.36439000       1.78416000      -3.64223000       0.88279188      -0.22820863      -0.07772348
O       -3.86196000       1.10208000      -6.31583000       0.52398983       0.24697479      -0.34160219
O       -5.10403000      -2.29785000      -5.60139000       0.19324991      -1.08127859      -1.35030785
O       -3.46976000       3.18832000      -8.29610000      -0.23975367      -0.98736212       2.07391997
Zn      -1.80779000      -1.23419000      -1.87240000      -0.71544141       0.15767615       1.53692376
Zn      -1.25343000       0.06184000      -4.21668000      -0.47583591       0.64219341      -0.18989374
Zn      -0.65464000      -1.46119000      -6.60487000      -0.20153880      -0.63420631      -0.42726820
Zn      -3.34275000      -2.61566000      -4.81253000       0.78102729       0.16788755       0.51941218
Zn      -3.78529000       0.61562000      -3.18268000      -0.64499066      -0.74205566       0.21312473
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00412704 magmom=-0.0003393 free_energy=-70.00412704 stress="-0.007159027819462737 -0.009772719247508322 0.008669258382427646 -0.009772719247508322 0.01900847745786805 0.0021566012542828888 0.008669258382427646 0.0021566012542828888 -0.019674883081404655" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.33561000       2.69903000      -6.81569000       0.63778117      -2.80211563       0.70926845
O       -0.50368000       0.17687000      -2.25104000      -0.50624812       0.00752536       0.06609238
O        0.10335000      -0.13991000      -5.50009000       0.04727863      -0.19169839      -1.77600314
O       -2.75881000      -1.13771000      -3.59021000       0.00807084       0.74951908       0.27832435
O       -1.88980000      -2.74852000      -5.98935000       0.10441397      -1.07982620      -1.68326004
O       -2.13701000       1.66548000      -3.71444000      -1.42915424       0.08047649      -0.32021027
O       -3.78856000       1.21250000      -6.43767000      -0.34473590       0.41079441       0.20858187
O       -5.00836000      -2.27357000      -5.73031000       0.49189409       1.23813913       2.03154455
O       -3.51525000       3.15071000      -8.14349000       0.76396040       0.94545487      -2.16273811
Zn      -1.84341000      -1.15642000      -1.81506000      -1.55993345      -0.79243952       1.57800772
Zn      -1.17308000      -0.02142000      -4.17423000      -0.55401124       0.24785967      -0.91036471
Zn      -2.91394000      -4.10648000      -1.91760000       1.03787553       1.41006352       1.35821117
Zn      -3.26246000      -2.64487000      -4.72997000      -0.09691565       0.15798850       0.41059726
Zn      -3.87295000       0.59051000      -3.22249000       1.39972398      -0.38174131       0.21194852
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.91183678 magmom=-7.53e-05 free_energy=-69.91183678 stress="0.019214623113541815 0.0031284663531647512 -0.006217338051672562 0.0031284663531647512 0.004475619814262116 0.014525158654718026 -0.006217338051672562 0.014525158654718026 0.029645637049855022" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40053000       2.76197000      -6.76803000       3.73701096       1.57042096      -0.13227658
O       -0.61765000       0.22033000      -2.17950000       1.65423120      -0.47045740       0.00326217
O        0.15419000      -0.22623000      -5.77880000      -0.90825457      -0.21986367       1.11064729
O       -2.80540000      -0.93539000      -3.64069000       0.78739062      -2.36442624      -0.23242081
O       -0.80634000       3.16804000      -6.09257000      -0.94326214      -0.31988745       0.19504750
O       -2.14168000       1.55152000      -3.86825000      -0.81837026       1.03138345       0.06053880
O       -3.72696000       1.32347000      -6.52363000      -0.71385497      -0.16049788       0.54503462
O       -4.84316000      -2.16172000      -5.65408000      -1.31923148      -1.61352202      -1.04941438
O       -3.54917000       3.24404000      -8.21775000      -1.46001063       0.16071419       0.94273676
Zn      -1.98130000      -1.09522000      -1.64982000      -1.22484598       0.20405181       0.16741740
Zn      -1.09967000      -0.11149000      -4.17812000       0.27554052       0.22234443      -1.71444712
Zn      -2.88672000      -4.11985000      -2.03982000       0.27011856       0.79489527       0.52141976
Zn      -3.15914000      -2.66654000      -4.60671000       0.35220272       0.71423933      -0.66174769
Zn      -3.91133000       0.53803000      -3.25886000       0.31133545       0.45060523       0.24420228
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.2415742 magmom=-0.0003965 free_energy=-70.2415742 stress="0.026144309919517213 -0.005943681892727317 -0.0036996550773785953 -0.005943681892727317 -0.008588611612076271 -0.005816403965092736 -0.0036996550773785953 -0.005816403965092736 0.0072297022186082315" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28715000       2.84759000      -6.74988000      -0.76597222      -1.86150592      -0.55872998
O       -0.49047000       0.19078000      -2.12088000      -0.66745824       0.08482154      -0.33064293
O        0.05866000      -0.27930000      -5.81088000       0.09866669       0.67870452       0.94399870
O       -2.71546000      -1.09621000      -3.69178000       0.78420925       1.08242307       0.95032250
O       -0.95579000       3.05902000      -6.22055000      -0.17443966       1.28082187       0.29510116
O       -2.31158000       1.59071000      -3.96688000       0.25771813      -0.79131816       1.06226174
O       -3.77146000       1.34441000      -6.48861000       0.32230877      -0.05493100      -0.03386824
O       -4.86464000      -2.21573000      -5.61308000       0.34190254       0.97024530       1.20066633
O       -3.74879000       3.39007000      -8.23495000       1.57818566       0.27597751      -0.58766415
Zn       0.09026000       1.52297000      -6.34011000       0.29050907      -0.46441718      -0.67104221
Zn      -1.03439000      -0.17419000      -4.25549000      -0.96328297       0.40952906       0.33894549
Zn      -2.85293000      -4.10440000      -2.11943000      -0.44826904      -1.15073349      -0.43760994
Zn      -3.06211000      -2.65207000      -4.54011000      -0.44553882      -0.40853145      -1.65509932
Zn      -3.91749000       0.50686000      -3.28216000      -0.20853917      -0.05108566      -0.51663915
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.19976459 magmom=0.0006955 free_energy=-70.19976459 stress="0.029592090082007517 -0.003900416520170958 0.007984184504959668 -0.003900416520170958 0.0308450867266581 0.008685994065405352 0.007984184504959668 0.008685994065405352 0.019339710826967525" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22507000       2.85272000      -6.75379000      -0.76085835      -0.00816317       0.57948246
O       -0.46379000       0.18769000      -2.13709000       0.77469841       0.47711677      -0.04878898
O        0.02973000      -0.22857000      -5.71914000       0.51325808      -0.59679424      -1.24712867
O       -2.51346000      -1.10786000      -3.55662000      -0.98092188      -0.63866500       0.49567848
O       -1.07436000       3.18755000      -6.24094000       0.86377074      -0.11662074       0.40913716
O       -2.37223000       1.52746000      -3.87384000       0.79112820       0.76202542      -0.68916548
O       -3.74395000       1.32415000      -6.45881000       0.20920323       0.90594058      -0.40777971
O       -4.87610000      -2.19086000      -5.49179000      -0.31948370      -0.88235905      -1.27748272
O       -3.63217000       3.50629000      -8.26679000       0.37692966      -0.86483966       1.35937053
Zn      -0.02217000       1.54449000      -6.27081000       0.19108208       0.50437171      -1.00118686
Zn      -1.04098000      -0.19812000      -4.28767000      -1.02104083       0.39740544       1.36594418
Zn      -2.84648000      -4.13758000      -2.18272000       0.36395618       0.19863196       1.44820473
Zn      -3.01762000      -2.65287000      -4.56894000      -0.78260495      -0.01686104      -0.49776137
Zn      -3.93627000       0.48482000      -3.32256000      -0.21911689      -0.12118898      -0.48852375
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.98720473 magmom=-0.0001952 free_energy=-69.98720473 stress="-0.004133209612491682 -0.004682538268629815 -0.0006232755346919116 -0.004682538268629815 0.01625788512442136 0.010242003832140802 -0.0006232755346919116 0.010242003832140802 -0.009884707943180594" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22032000       2.84684000      -6.74468000       0.98116375      -0.47525549       0.95990242
O       -0.35010000       0.29343000      -2.19329000      -1.63211409      -0.23610841      -0.55412284
O        0.08033000      -0.27615000      -5.81950000      -0.75112851       0.74811792       1.44067678
O       -2.49147000      -1.18956000      -3.30366000      -1.08716077      -0.09119822      -2.35114957
O       -2.05861000      -2.67222000      -6.25402000       0.69654804      -0.63293284      -0.32845537
O       -2.27073000       1.57719000      -3.91094000      -0.10612639      -0.84404839      -0.28431439
O       -3.61890000       1.38371000      -6.49444000      -0.02559692      -0.84062791       0.10745720
O       -4.92200000      -2.26249000      -5.50316000       0.25135205       0.57684006       0.91179110
O       -3.40692000       3.48334000      -8.05759000      -1.54867849       1.02013530      -1.29970133
Zn      -0.13399000       1.58830000      -6.25026000       0.20680838      -0.51656663       0.46000732
Zn      -1.10845000      -0.19954000      -4.25077000       0.25420753       0.15587103      -0.26797835
Zn      -2.81925000      -4.16759000      -2.16935000       0.41115057       0.57325610       0.83016514
Zn      -3.02163000      -2.66162000      -4.63889000      -0.73366172       0.86529068       0.54973895
Zn      -3.94840000       0.45196000      -3.39912000       3.08323657      -0.30277321      -0.17401707
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.97907689 magmom=-7.84e-05 free_energy=-69.97907689 stress="0.023898586855474854 -0.00041513202187902005 0.0031823813640808806 -0.00041513202187902005 0.01824614042576847 0.002198893439251963 0.0031823813640808806 0.002198893439251963 0.01905322794234597" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17638000       2.80820000      -6.67697000       0.05816693       0.56478347      -0.93562588
O       -0.38628000       0.37833000      -2.37160000       2.06556757      -1.06236157       0.83632927
O       -0.01403000      -0.18721000      -5.67155000      -0.06900989       0.22343271      -0.40276649
O       -2.76825000      -1.34150000      -3.41969000       0.42807732       1.88903380       0.30261410
O       -1.81378000      -2.63568000      -6.20264000      -1.73591582      -0.48968088       0.41703180
O       -2.13953000       1.49729000      -4.06307000      -0.89389599       0.56038982       0.89797283
O       -3.45128000       1.33003000      -6.53604000      -1.15328232       1.14859520       0.00871857
O       -4.94057000      -2.27347000      -5.36357000      -0.47402980      -0.84225657      -0.96123557
O       -3.38527000       3.61537000      -7.97514000       0.19244680      -0.78522781       0.46942493
Zn      -0.28252000       1.61710000      -6.21185000       0.52616819      -2.00605347      -0.16034926
Zn      -1.19527000      -0.19006000      -4.20334000       0.32392023      -0.76134274       0.26404796
Zn      -2.74101000      -4.16016000      -2.09004000       1.22859463       1.73480971      -0.48668866
Zn      -3.07858000      -2.62497000      -4.71530000      -0.40841721      -0.74249260      -0.39541370
Zn      -3.80339000       0.38910000      -3.52538000      -0.08839064       0.56837093       0.14594012
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.54689286 magmom=-0.0001143 free_energy=-69.54689286 stress="-0.010979712924044687 0.011968012035043673 1.879156118566176e-05 0.011968012035043673 -0.02806937610757577 0.009094259166461057 1.879156118566176e-05 0.009094259166461057 0.00983261288766897" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.12514000       2.81003000      -6.67303000       0.99716449       0.45496664      -0.28830352
O       -0.18378000       0.27766000      -2.42259000      -2.31419881      -0.11095464       0.02642847
O       -0.10191000      -0.08680000      -5.58361000       0.64457858      -1.69184314      -0.76050917
O       -2.94696000      -1.22917000      -3.54523000       2.06023915      -1.78044968       0.89753222
O       -1.80704000      -2.66207000      -6.12274000       0.49481568       0.42123815      -0.74494055
O       -2.16128000       1.52194000      -4.03134000       0.31928339       1.13731929       1.18445262
O       -3.44825000       1.35250000      -6.55833000      -0.00052705      -0.63249057       0.18237420
O       -5.03652000      -2.37600000      -5.29527000      -0.40305513       0.03257141      -0.14251978
O       -3.34635000       3.65559000      -7.86980000       1.52003113      -0.08012460      -0.73259737
Zn      -0.40918000       1.56223000      -6.17717000       0.03565975       0.29836061      -0.58069067
Zn      -1.26673000      -0.21958000      -4.13748000       0.69686532      -0.69471274       0.50929423
Zn      -2.61321000      -4.08457000      -2.02753000      -0.15149450      -0.31891130      -0.30616948
Zn      -3.16169000      -2.61542000      -4.80363000      -0.48216618      -0.57537954       0.27205900
Zn      -3.65813000       0.36965000      -3.64589000      -3.41719584       3.54041011       0.48358981
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9359489 magmom=-0.0002007 free_energy=-69.9359489 stress="0.020937774459129095 -9.841267682539886e-05 -0.007922730574898675 -9.841267682539886e-05 0.01990781411731857 -0.0032042347412588085 -0.007922730574898675 -0.0032042347412588085 0.020872341279890932" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.07076000       2.82457000      -6.72083000      -1.29512840      -0.93107465      -0.79933783
O       -0.25407000       0.18331000      -2.39356000       1.64781429       0.60397211       0.38942896
O       -0.05932000      -0.20892000      -5.61209000      -0.17182259       1.51427139       1.66303498
O       -2.76985000      -1.29302000      -3.46473000      -0.65999231       0.50974948      -0.19366466
O       -1.77295000      -2.63591000      -6.16883000      -0.50081548      -0.63779882       0.25678685
O       -2.14747000       1.72396000      -3.78520000       0.31029443      -0.91344684      -0.28598676
O       -3.47191000       1.30623000      -6.53521000      -0.21977519       0.69714474       0.17105967
O       -5.17000000      -2.44280000      -5.27969000       0.32638245       0.06445083      -0.82935519
O       -3.07628000       3.63136000      -7.87565000      -1.73385502      -0.24166532       0.81354389
Zn      -0.50008000       1.51545000      -6.17562000       0.47512744       0.02326070      -0.34696821
Zn      -1.28293000      -0.27765000      -4.06585000       1.53064685       0.16040344      -0.64738280
Zn      -2.51789000      -4.04678000      -2.00768000      -0.73370448      -1.68406709      -1.25376179
Zn      -3.24393000      -2.63640000      -4.86698000       0.70142290       0.52026893       0.45001073
Zn      -3.68328000       0.49249000      -3.71438000       0.32340512       0.31453111       0.61259217
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.64814334 magmom=-0.0006433 free_energy=-69.64814334 stress="-0.01616739546297092 -0.005734301880783006 0.001995641696733464 -0.005734301880783006 0.017959820968821868 0.008085618284413303 0.001995641696733464 0.008085618284413303 0.003132485410687126" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.09061000       2.78567000      -6.79291000       0.79651755      -1.29205556       3.24335223
O       -0.15495000       0.20815000      -2.34647000      -2.54493948      -0.00569326      -1.10094886
O       -0.03624000      -0.13307000      -5.40635000       0.46127037      -0.67210470      -1.62213781
O       -2.71283000      -1.29304000      -3.41866000      -0.97707111       0.53791593      -0.58350895
O       -1.81709000      -2.70874000      -6.17378000      -0.11959533       0.54232057       0.15035992
O       -2.08772000       1.74135000      -3.67419000      -0.38355790      -0.39121970      -1.71938212
O       -3.49688000       1.29495000      -6.46713000       0.13942378      -0.24007740      -0.04820506
O       -5.21473000      -2.44614000      -5.37316000       0.77716766       0.35139494      -0.03436899
O       -3.11367000       3.60559000      -7.80806000       0.27784583       1.07596400      -1.80726827
Zn      -0.55777000       1.47766000      -6.19545000       0.44174400      -0.37413256      -0.29302380
Zn      -1.21930000      -0.32463000      -4.02706000       0.04592904      -0.09370826       0.27809147
Zn      -2.46858000      -4.08360000      -2.02376000      -0.60470376       0.27249347       1.84417964
Zn      -3.28506000      -2.63215000      -4.89418000       0.69502748       0.47906808       0.94442681
Zn      -3.70309000       0.63957000      -3.74217000       0.99494187      -0.19016553       0.74843377
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.73337429 magmom=-2.71e-05 free_energy=-69.73337429 stress="0.028220703150332725 -0.00042086612752051465 -0.01091477331086518 -0.00042086612752051465 0.04084967152205745 -0.010451186156766568 -0.01091477331086518 -0.010451186156766568 0.032453906969405706" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.10947000       2.68016000      -6.74342000      -0.56137576       2.36996319      -2.14388143
O       -0.32195000       0.26706000      -2.43184000       2.45392364      -0.33434869       1.92538473
O        0.07774000      -0.16367000      -5.47353000      -0.43971164      -0.64860505      -0.61634920
O       -2.90585000      -1.14342000      -3.51047000       0.23005807       0.19314203      -0.20247841
O       -1.90001000      -2.70684000      -6.15039000       0.82635322       0.15901082      -0.83048821
O       -2.05675000       1.66057000      -3.92803000       0.99383273       0.51661127       0.54059640
O       -3.48755000       1.19893000      -6.38353000      -0.37757212       0.67318502      -0.38125171
O       -5.09955000      -2.34934000      -5.47043000      -0.49150763      -0.46618209      -0.05943376
O       -3.30513000       3.69602000      -7.97335000      -0.27888791      -2.24981824       1.20664523
Zn      -0.60317000       1.41143000      -6.24398000       0.17046013       0.51661164      -0.36922525
Zn      -1.12131000      -0.39233000      -3.97547000      -0.87476785      -0.27654590      -1.36993761
Zn      -2.45127000      -4.13113000      -1.95210000      -1.12564394      -0.27462398       0.04529316
Zn      -3.28603000      -2.58981000      -4.86269000       0.91529773       0.74711871       1.17273018
Zn      -3.66771000       0.81603000      -3.72775000      -1.44045867      -0.92551873       1.08239589
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.39292911 magmom=-0.0001165 free_energy=-69.39292911 stress="0.01697560186368187 -0.012296970436481857 -0.014976711461448383 -0.012296970436481857 0.02268366557605432 -0.009772267256141953 -0.014976711461448383 -0.009772267256141953 0.03382268975622791" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.14415000       2.67453000      -6.76854000       1.53394322       0.02491124       2.23904980
O       -0.24544000       0.23377000      -2.26449000      -2.68552478      -1.03421411      -0.61883895
O        0.15418000      -0.25646000      -5.67060000      -0.63967060       1.52013520       1.69527250
O       -3.07595000      -0.92873000      -3.65483000       1.52438068      -0.64090317       0.63393866
O       -1.84936000      -2.65570000      -6.28045000      -0.58188268      -0.52206222      -0.23608186
O       -1.86711000       1.63471000      -4.13896000      -0.37957711       0.07642579       0.98554993
O       -3.53796000       1.19360000      -6.36761000      -0.15752271       0.39910967      -0.39956818
O       -5.01416000      -2.28187000      -5.54995000      -0.13421230      -0.49740751      -0.04161346
O       -3.50376000       3.42674000      -8.05179000       2.21362500       0.60151613      -1.93200865
Zn      -0.64715000       1.35779000      -6.32025000      -0.21915363       0.93285262      -0.08232086
Zn      -1.05323000      -0.47695000      -3.96888000      -0.63425166       1.07784083      -0.99137275
Zn      -2.49541000      -4.21667000      -1.86961000      -0.63297710      -1.41538285      -1.49812156
Zn      -3.23802000      -2.50146000      -4.76793000       0.82103126       0.04855106      -0.12052826
Zn      -3.68266000       0.97878000      -3.65458000      -0.02820758      -0.57137267       0.36664362
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.71268951 magmom=-6.65e-05 free_energy=-69.71268951 stress="0.042037947724121484 -0.0006044935667057764 -0.019746333793213718 -0.0006044935667057764 0.029764618307929314 -0.009100035227526896 -0.019746333793213718 -0.009100035227526896 0.05353717185510438" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.13777000       2.70801000      -6.76488000      -0.71906044      -0.44661636      -2.62157127
O       -0.39957000       0.02085000      -2.17541000       1.86545288       0.23304096      -0.07016033
O        0.06740000      -0.16062000      -5.57603000      -0.59706826      -1.22624508      -0.54190711
O       -2.93690000      -0.87814000      -3.65972000       0.64962987      -0.66237570       0.49232331
O       -0.87272000       3.30610000      -6.35328000      -1.13577824       0.22864817       0.56612267
O       -1.78941000       1.65875000      -4.11669000      -1.16296531       0.69148122       0.98263539
O       -3.58502000       1.22619000      -6.40918000       0.19117569       0.18089202       0.20745294
O       -4.97015000      -2.28226000      -5.56419000       0.11956216       0.04649251       0.08289878
O       -3.35080000       3.20339000      -8.27079000      -0.94100781       0.01604729       2.10619736
Zn      -0.69021000       1.36230000      -6.38810000       0.03611428       0.59660402       0.00001751
Zn      -1.03000000      -0.49393000      -4.01462000      -0.35189265       1.27861601      -0.36388593
Zn      -2.55318000      -4.33191000      -1.86253000       0.54242539       0.79904105      -0.28756156
Zn      -3.15594000      -2.42970000      -4.69232000       0.59161018      -0.86964031      -0.57554547
Zn      -3.70159000       1.07636000      -3.57327000       0.91180226      -0.86598580       0.02298373
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.98974158 magmom=-2.5e-06 free_energy=-69.98974158 stress="-0.0012646436189964407 -0.0148915334803018 0.004990967316703964 -0.0148915334803018 0.023206922162822764 0.0009697172770029726 0.004990967316703964 0.0009697172770029726 0.007251233109492644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.15922000       2.70920000      -6.85031000       1.46732600      -1.28565705       3.55227784
O       -0.29454000      -0.11270000      -2.15546000      -1.76842251       0.90652727      -0.75178163
O       -0.11228000      -0.26175000      -5.61822000       0.24277980       0.30305382      -1.21000979
O       -2.70146000      -0.97266000      -3.53977000      -0.98515712      -0.10226325       0.32000476
O       -1.14030000       3.30427000      -6.35729000       1.14786979       0.10610311       0.55267760
O       -1.94174000       1.79039000      -3.87475000       0.19457544      -0.16207391       0.68024908
O       -3.56792000       1.25576000      -6.40783000       0.31825032      -0.10855888       0.13977390
O       -4.91837000      -2.29457000      -5.59901000      -0.33586582      -0.25012823      -0.87625770
O       -3.31319000       3.07991000      -8.19373000       0.59005050       1.41362283      -1.97595271
Zn      -0.72540000       1.39557000      -6.44337000       0.04745405      -0.31556342       0.45068393
Zn      -1.02944000      -0.43966000      -4.06640000       0.31458264       0.93750386       0.56269885
Zn      -2.58144000      -4.39911000      -1.87931000      -0.24812766       0.01371024      -0.44558353
Zn      -3.06214000      -2.41155000      -4.66237000      -0.57000265      -0.50347736      -0.85860745
Zn      -3.67810000       1.11170000      -3.50424000      -0.41531276      -0.95279905      -0.14017315
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.67513303 magmom=-0.000522 free_energy=-69.67513303 stress="0.014734883622388707 -0.010919577899760101 -0.014778132792986017 -0.010919577899760101 0.0054517006031698555 -0.012014711518127278 -0.014778132792986017 -0.012014711518127278 -0.028363124957665093" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.10816000       2.63446000      -6.82153000      -0.04607789       0.00742267      -2.40956311
O       -0.37301000      -0.02628000      -2.26814000       1.85247317       0.32640491       0.41283069
O       -0.26784000      -0.29085000      -5.83426000      -0.05426082       0.78096307       1.72147554
O       -2.63735000      -1.08646000      -3.42399000      -0.14586736       0.84405205      -1.77711174
O       -2.24543000      -2.69276000      -6.32390000       1.26008018      -0.78688873      -0.53702807
O       -3.12466000      -4.07973000      -3.62678000       0.11989143       0.22294181      -2.67848653
O       -3.46388000       1.21081000      -6.35593000      -0.05400342       0.08876691      -0.00504337
O       -4.91743000      -2.29477000      -5.72009000      -0.04189141       0.46445272       0.84092064
O       -3.28539000       3.19559000      -8.29781000      -1.22086008      -0.61499351       1.63401518
Zn      -0.75900000       1.41409000      -6.46383000      -0.26390117      -0.23878830       1.23818968
Zn      -1.01568000      -0.33170000      -4.09823000       0.11058711       0.32445711      -0.45368352
Zn      -2.61578000      -4.46808000      -1.91243000       0.48061641      -0.34716791       1.48229544
Zn      -2.99731000      -2.42544000      -4.67022000      -0.81945033      -0.22447294       0.66819934
Zn      -3.68114000       1.08807000      -3.44312000      -1.17733582      -0.84714985      -0.13701017
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.51608201 magmom=-0.0002216 free_energy=-69.51608201 stress="-0.010028260156472258 -0.022027199780495013 0.013125720034224082 -0.022027199780495013 -0.012077057403532923 0.011483302921255559 0.013125720034224082 0.011483302921255559 -0.030819375179338533" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.03488000       2.56446000      -6.86153000       0.37172649       0.98138427       3.51586425
O       -0.16561000       0.14853000      -2.35804000      -1.84026413      -0.77631189      -0.16254768
O       -0.41547000      -0.20919000      -5.78974000       1.40780748      -1.51992521      -1.48787840
O       -2.63416000      -0.98602000      -3.59160000      -0.51960534       1.14851875       0.62443876
O       -0.94033000       3.18755000      -6.22431000      -0.90175863       1.15357134       0.38629605
O       -3.21799000      -3.96747000      -3.72109000      -0.28764833      -2.40558501       0.80296478
O       -3.33903000       1.15707000      -6.30629000      -0.29189330       0.56300272      -0.69999966
O       -4.92889000      -2.26657000      -5.75868000       0.51113123      -0.99288281      -0.11136382
O       -3.43202000       3.25798000      -8.20321000       1.86716150       0.44212291      -2.19964314
Zn      -0.81210000       1.41670000      -6.43351000       0.01769249      -1.41542432      -1.10259651
Zn      -0.99586000      -0.17898000      -4.14350000      -0.97906558       0.13329680       1.96367278
Zn      -2.63381000      -4.55158000      -1.88799000       1.09982320       1.99691556       0.03636670
Zn      -2.97685000      -2.45240000      -4.66611000      -0.69441923       1.03553251      -0.89668390
Zn      -3.75196000       1.00608000      -3.38249000       0.23931216      -0.34421561      -0.66889021
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.44976356 magmom=-0.0005268 free_energy=-69.44976356 stress="-0.017332537399112696 -0.020390143312469435 0.00010622734584344274 -0.020390143312469435 -0.005440378149849484 -0.014964854010931778 0.00010622734584344274 -0.014964854010931778 0.007951772828665158" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.94478000       2.57237000      -6.80971000      -1.36213863       1.52057186      -2.67033201
O       -0.14650000       0.18083000      -2.44401000       1.15356167      -0.69862048       1.29899026
O       -0.32334000      -0.35851000      -5.89467000       0.15456853       2.04952804       1.43482037
O       -2.76626000      -0.69312000      -3.71422000      -0.27713599      -2.96715017       0.23889536
O       -0.85086000       3.18032000      -6.11369000      -0.87407074      -0.52518491       0.16475848
O       -2.27275000       1.79462000      -3.75436000       1.81199454       1.31292970      -0.03780827
O       -3.22592000       1.15609000      -6.37711000      -0.15869591       0.26519974      -0.56309020
O       -4.81560000      -2.34178000      -5.69532000       0.17725556       0.18213010       0.53946805
O       -3.35366000       3.30650000      -8.31649000      -1.85781549      -1.16749097       1.76043745
Zn      -0.87568000       1.34711000      -6.44836000       0.33861411      -0.89084123      -1.05482971
Zn      -1.01600000       0.01419000      -4.12448000      -0.54325031      -0.12580081      -1.01291211
Zn      -2.58425000      -4.54722000      -1.84652000       0.76826525       0.07517091      -1.11780397
Zn      -2.99785000      -2.44014000      -4.68310000      -0.49966456       0.55831862       1.40725640
Zn      -3.83074000       0.88506000      -3.34756000       1.16851198       0.41123960      -0.38785008
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.82100023 magmom=-0.0002506 free_energy=-69.82100023 stress="-0.00025142264889551437 -0.002308488884423497 0.004680053498880765 -0.002308488884423497 -0.011478306487094636 -0.002213226915163335 0.004680053498880765 -0.002213226915163335 -0.00809636312975464" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.92809000       2.65458000      -6.83387000      -1.11877466      -1.67118739       2.47345171
O       -0.07802000       0.06230000      -2.31930000      -1.14214853      -0.19288319       0.30224510
O       -0.15263000      -0.24196000      -5.79583000       0.16270050      -0.93229102       0.83758623
O       -2.93791000      -0.89392000      -3.73406000       0.98098183       1.56121020       1.84218692
O       -0.89898000       3.11102000      -6.03162000       1.00120025       0.14178144      -1.47677879
O       -2.10701000       1.72394000      -3.79403000      -0.54567648       0.80547774       1.13904389
O       -3.15681000       1.21195000      -6.56648000      -0.27371864       0.12918821      -0.19559243
O       -4.70574000      -2.40215000      -5.58019000      -1.17801415       0.19591081      -0.95469019
O       -3.47039000       3.22412000      -8.27403000       1.09564669       1.65583524      -2.19407885
Zn      -0.92466000       1.23933000      -6.52242000      -0.14215598       0.84278019      -1.13698686
Zn      -1.06653000       0.18591000      -4.13255000       0.06308443      -1.55325517      -0.55564066
Zn      -2.49936000      -4.51785000      -1.85217000      -0.78903298       0.43935491       0.44914405
Zn      -3.04460000      -2.39946000      -4.63586000       0.32659469      -1.95781289      -0.25631879
Zn      -3.84317000       0.79083000      -3.34025000       1.55931303       0.53589090      -0.27357134
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.87790375 magmom=-0.0002743 free_energy=-69.87790375 stress="0.030695208281995675 0.0004124873571491825 -0.0005915587443329145 0.0004124873571491825 0.017174037532928656 -0.00018335696338729152 -0.0005915587443329145 -0.00018335696338729152 0.007281072254178283" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -3.98631000       2.66078000      -6.83112000      -0.26489227       0.41152587      -1.55267214
O       -0.15701000      -0.07273000      -2.13688000       0.59286916       0.34114716      -0.42599448
O       -0.01630000      -0.22572000      -5.57536000      -0.59399009      -0.39413027      -1.15711594
O       -2.87645000      -0.91670000      -3.51314000       1.26498500      -0.23146048      -2.64427908
O       -0.79449000       3.09234000      -6.19416000      -0.98849733       0.71501067       1.08410171
O       -2.03499000       1.84004000      -3.63429000      -0.46756859      -0.12871133       0.03336662
O       -3.12808000       1.24136000      -6.73756000      -0.32733995       0.19226354       0.53053759
O       -4.78620000      -2.37022000      -5.56482000      -0.23083645      -0.45209194      -0.93668229
O       -3.48628000       3.35733000      -8.37646000      -0.10940625      -0.23737902       2.18238692
Zn      -0.95958000       1.17543000      -6.61953000       0.64774796      -0.78145178       1.90552259
Zn      -1.10839000       0.25016000      -4.16718000      -0.01052882      -1.03097154       0.44613107
Zn      -2.46560000      -4.47966000      -1.83706000      -0.22644186       0.74251705       1.45517375
Zn      -3.06917000      -2.44122000      -4.60526000       0.88954020      -0.30041259      -1.11668348
Zn      -3.78499000       0.75230000      -3.34519000      -0.17564072       1.15414466       0.19620714
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.12070035 magmom=-4.03e-05 free_energy=-70.12070035 stress="0.025785517996993107 -0.01817046159708886 0.0038632311629347178 -0.01817046159708886 0.02485013741501227 0.004699611454971994 0.0038632311629347178 0.004699611454971994 -0.00607741648054886" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.06273000       2.66269000      -6.90135000       0.47117387      -0.91362441       1.70371784
O       -0.19519000      -0.11681000      -2.08259000      -0.75124481       0.50141761      -1.00121316
O       -0.01312000      -0.28695000      -5.58283000      -0.35808809       1.31827131      -0.16850382
O       -2.59412000      -0.88892000      -3.68133000      -1.48387428      -0.59257105       0.39559621
O       -0.88685000       3.18942000      -6.16123000      -0.09501731      -0.97675781      -0.16577927
O       -3.14851000      -4.07830000      -3.55223000       0.06327075      -0.63553132      -0.86582217
O       -3.14233000       1.26688000      -6.77846000       0.08681885      -0.02575934       0.27092167
O       -4.88821000      -2.37676000      -5.66669000       0.47923379      -0.07550873       0.73548439
O       -3.46404000       3.50889000      -8.16902000       0.58242053       0.74606026      -1.69293659
Zn      -0.95736000       1.09663000      -6.63822000       0.69712668       0.97996891      -0.16838037
Zn      -1.14205000       0.24380000      -4.17677000       0.58923378      -0.17392992       0.53315265
Zn      -2.45221000      -4.41345000      -1.74590000      -0.43874177      -0.98728145       0.66352711
Zn      -3.04722000      -2.51281000      -4.65090000       0.17420777       0.50188219      -0.78026623
Zn      -3.73094000       0.77310000      -3.33831000      -0.01651976       0.33336374       0.54050176
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.79613012 magmom=-0.000293 free_energy=-69.79613012 stress="0.030260622062873135 -0.001615141899092178 -0.0033993002639625086 -0.001615141899092178 0.02634329099679745 0.0031312856490784214 -0.0033993002639625086 0.0031312856490784214 0.004201303128889097" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.10771000       2.64632000      -6.92383000       1.24280909       2.48826926       0.58079583
O       -0.33514000      -0.03434000      -2.25660000       1.37401931       0.46980061      -0.04271173
O       -0.07538000      -0.11841000      -5.65259000       1.04767094      -1.43951601       0.90838860
O       -2.58099000      -1.00552000      -3.87176000      -1.33472348       0.85987286       1.76134593
O       -0.98757000       3.07891000      -6.19041000       1.59407223      -0.71363782      -1.04232287
O       -3.17662000      -4.12427000      -3.56314000       0.76329749       0.10445210      -0.23985110
O       -3.15710000       1.28415000      -6.75456000      -0.59995949       0.24176617      -0.30629575
O       -4.91524000      -2.41914000      -5.61875000      -0.49566164      -1.25520182      -0.74666697
O       -3.37778000       3.72181000      -8.11924000      -0.90099637      -1.93996332       0.74954026
Zn      -0.91797000       1.06588000      -6.66003000      -0.46824717       2.69325598      -2.18281283
Zn      -1.14658000       0.22686000      -4.14874000       0.23460572      -0.05194781       0.73340398
Zn      -2.46524000      -4.38997000      -1.59729000      -0.81091769      -0.97812183      -0.49833745
Zn      -3.01827000      -2.56792000      -4.74007000      -0.86625337      -0.26768974       0.30580722
Zn      -3.67905000       0.82487000      -3.29980000      -0.77971559      -0.21133863       0.01971688
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.79129677 magmom=-0.0004587 free_energy=-69.79129677 stress="0.017306403420213983 -0.005177583034420971 -0.0028410470424460213 -0.005177583034420971 -0.01002274064639753 0.0036604659647771092 -0.0028410470424460213 0.0036604659647771092 -0.03366026334416975" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.09472000       2.73407000      -6.92060000      -0.64693904      -2.08990771       1.03740146
O       -0.25415000       0.16712000      -2.44510000       0.47374473      -0.24043078       1.60119760
O        0.01051000      -0.11793000      -5.58111000      -0.73004762      -0.51215895      -0.46811275
O       -2.92466000      -1.02273000      -3.75335000       0.67682200       0.32054572      -1.95493734
O       -0.78270000       2.87396000      -6.35693000       0.08140893       3.40731880       2.95939971
O       -2.00630000       1.84682000      -3.57846000      -0.40629184       0.47538643       0.18561888
O       -3.27263000       1.31372000      -6.78877000      -0.07152651      -0.34465066      -0.40906279
O       -4.99752000      -2.61186000      -5.52446000       0.29854594       1.00554209       1.31648126
O       -3.38057000       3.66596000      -8.03541000       1.43211018       1.35169277      -1.68704736
Zn      -0.87850000       1.13839000      -6.79397000       0.35630116      -3.15759638       0.61930492
Zn      -1.13172000       0.20335000      -4.08822000      -0.59986153      -0.73106480      -1.12178740
Zn      -0.28936000      -1.85277000      -6.27884000      -0.15081359      -0.22028437      -0.95703526
Zn      -3.02460000      -2.64258000      -4.84055000      -0.03305443       0.41503332       0.01877506
Zn      -3.65877000       0.88421000      -3.25713000      -0.68039839       0.32057452      -1.14019599
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.56900793 magmom=-0.0001525 free_energy=-69.56900793 stress="-0.003113321106576467 -0.013313094201405539 0.0008099557147151702 -0.013313094201405539 0.019171861716882694 -0.0029873497015641885 0.0008099557147151702 -0.0029873497015641885 0.025642227022065905" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.04651000       2.76914000      -6.86048000       0.09674358       0.08970139       0.37045781
O       -0.20218000       0.29656000      -2.38472000       0.64253611      -0.41660360       0.59077508
O       -0.01374000      -0.21106000      -5.56982000      -0.57734636       1.57248443      -0.48782613
O       -3.10628000      -0.92989000      -3.90081000       1.23566433       0.07837705       0.34840105
O       -0.64678000       3.06843000      -6.08604000      -2.08905726      -2.72552784      -1.24833023
O       -1.96522000       1.87098000      -3.60914000      -0.68630366      -0.46658598       0.60638957
O       -3.38633000       1.25314000      -6.89589000      -0.05742515       0.81128734       0.10471610
O       -5.02641000      -2.67588000      -5.31556000       0.40454811      -0.28622966      -1.92687880
O       -3.25753000       3.71633000      -8.10722000      -1.42774454      -0.51752558       1.66065183
Zn      -0.82789000       1.10820000      -6.89385000       0.66374857      -0.55293592       0.67917762
Zn      -1.14512000       0.15310000      -4.07691000      -0.44794796      -0.09410404      -0.55505143
Zn      -0.33788000      -1.88576000      -6.18928000       2.40115433       1.19568558      -0.99090559
Zn      -3.04256000      -2.68947000      -4.92531000      -1.10009576       0.99226997       1.38645444
Zn      -3.66871000       0.94972000      -3.26874000       0.94152567       0.31970685      -0.53803134
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.94523217 magmom=-0.0002752 free_energy=-69.94523217 stress="-0.01088946615092188 -0.0033396077501919325 0.0032692183445946336 -0.0033396077501919325 0.010584666165913886 0.006827299280236758 0.0032692183445946336 0.006827299280236758 -0.004929354871035702" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.00384000       2.77772000      -6.79899000      -2.36602465      -1.38786971      -1.09639414
O       -0.17222000       0.30903000      -2.24329000      -0.42877771      -0.30184232      -0.47235946
O       -0.15593000      -0.05068000      -5.66134000       0.55164462      -1.73065914       0.82733735
O       -2.99813000      -0.84262000      -4.01435000       0.65845556      -0.71702239       1.00387905
O       -0.75908000       2.85214000      -6.08987000       0.70594905       0.70574258      -0.74838677
O       -2.04679000       1.83649000      -3.51227000       1.07714121       0.92086842       0.06320643
O       -3.44349000       1.27406000      -6.96798000       0.58617862      -0.57586085       0.19165612
O       -4.95806000      -2.70034000      -5.34194000      -0.23121546       0.68791371       1.54691150
O       -3.31518000       3.74189000      -7.93829000       1.01712303       1.09981030      -0.83753038
Zn      -0.75460000       1.04779000      -6.94302000      -0.32051423       1.28570822      -1.60422663
Zn      -1.18113000       0.10542000      -4.09078000      -0.24231104       0.50786360       0.51445054
Zn      -0.29218000      -1.87722000      -6.16959000      -0.35995889      -0.42538143      -1.11076611
Zn      -3.11711000      -2.67392000      -4.91541000       0.67647311       0.57833677       1.51646382
Zn      -3.65126000       1.01923000      -3.30861000      -1.32416321      -0.64760777       0.20575867
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.62654811 magmom=-7.6e-05 free_energy=-69.62654811 stress="0.002480979105796224 -0.009753410196559523 -0.0038969762939634078 -0.009753410196559523 0.03077805306844233 0.004316635887837816 -0.0038969762939634078 0.004316635887837816 0.010938728191682774" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.06821000       2.73219000      -6.77788000       0.77385969       0.47338830       0.16152033
O       -0.24896000       0.23384000      -2.17836000       0.92783844      -0.61465533      -0.66367893
O       -0.21420000      -0.15984000      -5.62493000       0.31786090       0.44021506      -0.22955020
O       -2.75328000      -0.90896000      -3.93321000      -1.50436533      -0.41970072      -1.19442255
O       -0.75873000       2.76153000      -6.27658000      -0.66032404       2.05935897       1.24712691
O       -3.01901000      -4.04921000      -3.44597000      -0.31765170      -0.27272907      -0.59229161
O       -3.39131000       1.22711000      -7.00204000      -0.62672788       1.51649058       0.46127336
O       -4.97071000      -2.65013000      -5.24738000      -1.08632954      -1.01203886      -1.55954245
O       -3.28232000       3.90202000      -7.80321000      -0.99033141      -1.24228471       0.51438245
Zn      -2.91832000      -1.54806000      -2.23145000       0.11921304      -1.05272872       2.11585150
Zn      -1.22855000       0.08835000      -4.08445000       1.40961700       1.69263853       0.23937717
Zn      -0.25140000      -1.88939000      -6.21889000      -1.06529210      -0.97259107      -0.89558123
Zn      -3.16925000      -2.62119000      -4.80916000       2.23925450      -0.41026177      -0.42437090
Zn      -3.68299000       1.06829000      -3.34414000       0.46337844      -0.18510118       0.81990615
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.4410134 magmom=-0.0003659 free_energy=-69.4410134 stress="0.017093781917954198 -0.013990788112241564 -0.0014764245085656415 -0.013990788112241564 0.005451554470716691 -0.00178009821949338 -0.0014764245085656415 -0.00178009821949338 -0.011964566528519401" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.11892000       2.71573000      -6.75956000      -1.35716041      -0.14602377      -0.38648625
O       -0.28695000       0.01576000      -2.27691000       0.01280394       0.11732163      -0.20233640
O       -0.17738000      -0.25593000      -5.56993000       0.13444055       1.29874376      -1.06728495
O       -2.73716000      -0.99357000      -4.03330000      -0.56486095       2.84461238       1.19760568
O       -0.90466000       3.08658000      -6.25614000      -0.27512399      -1.05771508      -0.29412559
O       -2.92942000      -3.94765000      -3.41928000      -0.94252470      -1.36606646      -0.59077170
O       -3.37154000       1.32049000      -6.95502000       0.79696352      -1.08896339       0.05186205
O       -5.17436000      -2.76149000      -5.29105000       0.78139429      -0.10004712       1.96276497
O       -3.36591000       3.90569000      -7.62117000       0.59260315       0.63555381      -1.49931709
Zn      -2.82798000      -1.61230000      -2.27730000       0.12755068      -0.04035258       2.74424402
Zn      -1.21572000       0.16080000      -4.06096000       0.84604234       0.80325506      -0.30852691
Zn      -2.49986000      -4.53475000      -1.49883000      -0.33471521      -0.19375551       0.04601153
Zn      -3.11228000      -2.59198000      -4.71600000      -0.16379370      -1.80693241      -2.69434630
Zn      -3.71707000       1.11271000      -3.33470000       0.34638049       0.10036968       1.04070694
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.34493827 magmom=3.2e-05 free_energy=-69.34493827 stress="0.02376152593650429 -0.005133884525098671 -0.008758332950204537 -0.005133884525098671 0.04827840564879625 0.008878448646253022 -0.008758332950204537 0.008878448646253022 0.005196222908210346" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.19607000       2.69427000      -6.73515000       1.95720520      -0.90493219       0.99555885
O       -0.30379000      -0.21677000      -2.42977000       0.40851806       0.64643815       1.21882949
O       -0.10480000      -0.11933000      -5.67800000       0.22597931      -2.04575316       1.52681912
O       -2.89937000      -0.66712000      -3.97780000      -0.17121531      -1.56639395       1.25581983
O       -1.07831000       3.25445000      -6.26252000       1.44355130      -0.77527559       0.16537769
O       -3.01668000      -4.08577000      -3.51716000       0.27932884       0.97286230      -0.08767454
O       -3.26848000       1.34163000      -6.88075000      -0.81781428       1.04044002      -0.05309906
O       -5.25735000      -2.94901000      -5.12094000       0.32995819      -0.13900884      -1.53012276
O       -3.43035000       3.92482000      -7.65645000      -0.94745300      -0.97154583       0.45821927
Zn      -2.73386000      -1.67445000      -2.18846000      -0.82443290       2.79684561      -2.28153326
Zn      -1.15023000       0.28222000      -4.06286000       0.29275483      -0.81502493      -2.26194808
Zn      -2.53816000      -4.62342000      -1.62042000      -0.32777113       0.90270146       0.85558618
Zn      -3.05100000      -2.62229000      -4.73605000      -0.69114498       1.23761934       0.03009458
Zn      -3.73756000       1.16184000      -3.27480000      -1.15746414      -0.37897239      -0.29192731
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.6518382 magmom=-0.0002603 free_energy=-69.6518382 stress="0.026234844732044665 -0.01182165093667556 0.001892397267965427 -0.01182165093667556 0.03541371196745403 0.0003463390632444311 0.001892397267965427 0.0003463390632444311 -0.009242614233508107" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.18506000       2.63900000      -6.67021000      -0.68384397      -1.49514905      -0.96498554
O       -0.30962000      -0.26736000      -2.35646000      -0.04048716       0.79607063       0.31372501
O       -0.02711000      -0.29723000      -5.61770000      -0.46639752       0.41165905      -0.97166093
O       -3.05406000      -0.66080000      -3.70550000       0.75357799      -1.00946793      -1.59243212
O       -0.98291000       3.21608000      -6.23362000      -0.19465383      -0.59225077       0.27221091
O       -3.04741000      -4.06127000      -3.60651000       0.23638129      -0.22938962       0.51165268
O       -3.21697000       1.37595000      -6.85182000       0.11361418      -0.76050587      -0.26609836
O       -5.24141000      -3.09296000      -5.12484000       0.34240699       0.87185640       1.26181132
O       -3.59403000       3.83392000      -7.66454000       0.67733767       0.68833065      -0.11756493
Zn      -2.68718000      -1.61268000      -2.18282000       0.08641967      -0.08261147       1.42818131
Zn      -1.07979000       0.34429000      -4.16301000      -0.26063934      -0.94087623      -0.52781090
Zn      -2.57865000      -4.65134000      -1.67902000       0.97927304       1.04410431       0.66729787
Zn      -3.03527000      -2.59368000      -4.76536000      -0.70004893       1.62564942       0.22537984
Zn      -3.81068000       1.18808000      -3.23271000      -0.84294009      -0.32741952      -0.23970619
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.97907794 magmom=-0.0001655 free_energy=-69.97907794 stress="0.04273217020593789 -0.014378719050648128 -0.00469983232949694 -0.014378719050648128 0.04610089685562837 -0.011238043837519964 -0.00469983232949694 -0.011238043837519964 0.02393830252051073" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.18062000       2.51391000      -6.63102000       0.58022253       1.22351051       0.83110829
O       -0.33668000      -0.16315000      -2.19661000       0.15555293      -0.45142657      -0.45438424
O       -0.03239000      -0.41150000      -5.67639000      -0.03185744       1.57060700      -0.12664421
O       -3.06615000      -0.86635000      -3.79818000       0.67010220       1.07649819      -0.35210540
O       -0.89521000       3.02071000      -6.15944000      -0.40670288      -0.55348698      -0.53334601
O       -3.00850000      -4.07279000      -3.59233000      -0.18454001      -1.06063253      -0.16788182
O       -3.17746000       1.26221000      -6.87836000      -0.78186254      -0.13612677       0.01490928
O       -5.14470000      -3.08411000      -5.02675000       0.11923855      -0.38918670      -1.50957559
O       -3.64716000       3.81015000      -7.64770000       0.30944313      -0.85744210       0.72963688
Zn      -2.64209000      -1.53908000      -2.11186000      -0.07369363       0.13222446       0.84798727
Zn      -1.02782000       0.35365000      -4.30262000      -1.03478756       0.01827177       0.70136032
Zn      -2.57293000      -4.62159000      -1.69962000       0.26083614       0.18165349       0.15789823
Zn      -3.06419000      -2.47747000      -4.77843000      -0.40574996      -0.22813379       0.03400539
Zn      -1.69023000       3.76678000      -8.04348000       0.82379854      -0.52632996      -0.17296840
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.50228127 magmom=6.59e-05 free_energy=-69.50228127 stress="0.04396764618549102 -0.009029738115125042 -0.0043362431830586854 -0.009029738115125042 0.016006625210393286 -0.0066843817223175405 -0.0043362431830586854 -0.0066843817223175405 -0.0017368777161474857" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.15698000       2.43607000      -6.56978000      -0.55991397      -1.60170292      -1.67413465
O       -0.33240000      -0.14808000      -2.12656000       0.69458773      -0.42268802      -0.01127627
O       -0.03093000      -0.28366000      -5.77892000       0.79915635      -1.64756357       0.67705078
O       -2.93650000      -0.76332000      -4.00030000       0.57403529       0.43789298       1.20517733
O       -0.90821000       2.76304000      -6.16510000      -0.38008755       2.44375731       0.58738034
O       -1.96294000       1.71919000      -3.52096000      -0.85162650       1.29978761      -0.04475222
O       -3.28323000       1.08026000      -6.90850000      -0.97176408       0.75391644       0.36132601
O       -5.01044000      -3.11054000      -5.08464000      -0.11609429       0.01404268       1.53951028
O       -3.59768000       3.68572000      -7.52948000       0.40464620       0.69003222      -0.66031476
Zn      -2.59684000      -1.45676000      -1.99399000      -0.16845978       1.34345774      -2.74045120
Zn      -1.03523000       0.35788000      -4.40410000      -1.50693798      -0.40525129       1.17316537
Zn      -2.54972000      -4.57539000      -1.70550000      -0.51288239      -0.35821048       0.12745934
Zn      -3.11454000      -2.38456000      -4.80246000       0.44262592      -1.66567337      -0.11924189
Zn      -1.76424000       3.73997000      -8.02725000       2.15271507      -0.88179733      -0.42089847
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.76594396 magmom=-0.0001665 free_energy=-69.76594396 stress="0.017649449906390745 -0.007090358754784297 -0.002294249611609362 -0.007090358754784297 0.038063537120863224 -0.004122251488542006 -0.002294249611609362 -0.004122251488542006 0.026813955610305213" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.14833000       2.34107000      -6.56228000      -0.31189704       1.71782403       0.78926038
O       -0.28643000      -0.23660000      -2.09034000      -0.58188081       0.38625383       0.02184113
O        0.10767000      -0.33645000      -5.75443000      -0.47003086       1.51109792       0.28698070
O       -2.71889000      -0.59553000      -3.92079000      -1.37637018      -2.69073078       0.31797248
O       -0.97391000       2.94874000      -6.08764000       1.08070124       0.09992511      -0.79645905
O       -2.11291000       1.76611000      -3.52306000       1.07650494       1.11844492       0.29523096
O       -3.51538000       0.91241000      -6.89595000       0.61563628      -0.52775378       0.01537850
O       -4.94330000      -3.18954000      -4.99067000      -1.11831386      -0.57848064      -1.42927587
O       -3.50006000       3.62357000      -7.49894000      -0.62973432      -0.68406578       0.01791947
Zn      -2.55699000      -1.31187000      -2.00390000       0.49878941      -0.27502638      -0.57520053
Zn      -1.12229000       0.34430000      -4.44531000       0.02350069       0.03975333       0.20313019
Zn      -2.55502000      -4.55058000      -1.70905000      -0.34742928      -0.33864519      -0.37430835
Zn      -3.14491000      -2.38132000      -4.82961000      -0.04699711       0.36547934       1.80845812
Zn      -1.71736000       3.66837000      -8.03768000       1.58752091      -0.14407592      -0.58092812
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.86592348 magmom=-0.0003358 free_energy=-69.86592348 stress="0.02851741325321928 -0.014254169030750595 -0.011109259072269196 -0.014254169030750595 0.05106748641678844 0.0032493956673768486 -0.011109259072269196 0.0032493956673768486 -0.008155217970585433" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.16214000       2.28403000      -6.54981000      -2.33041806      -1.62894855      -1.72974672
O       -0.37692000      -0.24209000      -2.05995000       0.56194701       0.77970191      -0.15407613
O        0.15391000      -0.16303000      -5.67307000      -1.04773934       0.35305890      -0.50824748
O       -2.73672000      -0.87757000      -3.81188000      -0.31327854       2.13934815      -1.06627924
O       -0.88994000       3.23359000      -6.12801000      -1.07741604      -1.35715409      -0.12363278
O       -3.14651000      -3.97449000      -3.55438000       0.71422770      -1.46867927      -0.60188584
O       -3.67650000       0.74213000      -6.84859000       0.35479421       1.20784506       0.32525840
O       -5.06390000      -3.34998000      -5.02962000       0.21439986       0.41724998       0.90787995
O       -3.47096000       3.47470000      -7.51400000       0.51513180      -0.23273210      -0.27906813
Zn      -2.48551000      -1.18046000      -2.04430000       0.99423239      -1.32833834       2.50612898
Zn      -1.22491000       0.32737000      -4.46740000      -0.02701039       0.24839533       0.61107465
Zn      -2.56879000      -4.53068000      -1.72604000       1.74520001       1.87232150       0.35981625
Zn      -3.17695000      -2.37552000      -4.77146000      -0.29466903      -1.52233747      -0.08940579
Zn      -3.81873000       1.01058000      -3.24194000      -0.00940158       0.52026898      -0.15781613
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.58002501 magmom=-0.0003534 free_energy=-70.58002501 stress="0.01591820999564045 0.004534152125108828 -0.00838457081173257 0.004534152125108828 0.029555468283113274 0.005958709299623304 -0.00838457081173257 0.005958709299623304 0.014198048101988632" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28078000       2.20274000      -6.59862000       1.64461858       0.17165176       1.06429735
O       -0.43107000      -0.10417000      -2.08323000      -0.76126488      -0.17903884      -0.59308751
O        0.01146000       0.03321000      -5.69084000       0.17909686      -2.01516000      -0.09906853
O       -2.83669000      -0.78087000      -3.85367000       0.02884901       0.14942592      -0.13833998
O       -0.93892000       3.22889000      -6.21143000       0.11521080      -0.06199016       0.61910289
O       -2.95309000      -4.02120000      -3.61307000       0.02153130      -0.63217091      -0.07221684
O       -3.71513000       0.69200000      -6.77692000      -0.40818199       0.35362511      -0.21656240
O       -4.08092000       2.57515000      -4.92618000       0.33500546       0.10570945      -0.85006169
O       -3.39243000       3.26565000      -7.56081000      -0.56816914      -0.41913613       0.27709442
Zn      -2.38099000      -1.12258000      -1.98373000       0.06646550       0.38134321      -0.09193599
Zn      -1.31421000       0.32895000      -4.45600000       0.09020572       0.22230821       0.29359230
Zn      -2.51208000      -4.42785000      -1.72374000       0.10498810       1.68891730       0.58193003
Zn      -3.22320000      -2.43711000      -4.71797000       0.11931490      -0.61196973      -0.49595382
Zn      -3.70276000       0.96517000      -3.28979000      -0.96767024       0.84648481      -0.27879023
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.3049772 magmom=-0.0003457 free_energy=-70.3049772 stress="0.02619645763464133 0.003449245974667015 0.000527416234283875 0.003449245974667015 -0.0026155161269970266 -0.015211350636130817 0.000527416234283875 -0.015211350636130817 0.011069762502928168" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.33023000       2.14965000      -6.59331000      -0.32881199       0.35730464      -0.68412081
O       -0.54490000      -0.03520000      -2.19554000       1.20075447      -0.61502374       0.36870260
O       -0.09162000      -0.12228000      -5.74078000       0.36277832       1.93898889       0.71602640
O       -2.92231000      -0.69093000      -3.92794000      -0.03732907      -1.96875958       0.09209904
O       -0.98965000       3.18887000      -6.17391000       0.68866752       0.36099038      -0.24142600
O       -2.81507000      -4.11511000      -3.65203000      -0.97285196       1.50208251       0.55682393
O       -3.79551000       0.65172000      -6.76775000      -0.44033287      -0.63109091      -0.14027975
O       -4.06817000       2.55378000      -4.97928000       0.23155961       0.24084181       0.64433896
O       -3.38602000       3.06521000      -7.58883000      -0.29992061       0.48163023      -0.04676705
Zn      -2.28960000      -1.06929000      -1.92176000      -0.31893877       0.00212385      -0.03771806
Zn      -1.36676000       0.32859000      -4.44319000       1.28846878      -1.12928961      -0.82521394
Zn      -2.45359000      -4.26783000      -1.69816000      -0.67683114      -1.88927239      -0.90819005
Zn      -3.25455000      -2.52429000      -4.70321000       0.51867367       0.53942255      -0.14065181
Zn      -3.66177000       0.97767000      -3.33329000      -1.21588594       0.81005138       0.64637654
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.23528977 magmom=-0.0003339 free_energy=-70.23528977 stress="0.015358853175446363 0.0071581285241033524 0.002815364543109928 0.0071581285241033524 0.026876684655714585 0.0070760811091720565 0.002815364543109928 0.0070760811091720565 0.01871177008252098" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36693000       2.10474000      -6.60524000       2.07992910      -1.44693957       0.44679716
O       -0.45927000      -0.08984000      -2.25289000      -0.99587495       0.37074961       0.04891633
O       -0.06999000       0.03836000      -5.65284000       1.31083816      -0.86654576      -0.78674055
O       -2.98358000      -0.93100000      -3.94541000       1.12313187       2.46210482       1.24408900
O       -0.87629000       3.23411000      -6.18455000       0.18992516       0.41274701      -0.27854032
O       -2.86785000      -4.00351000      -3.57038000      -0.15376455      -1.75681947      -0.21321947
O       -4.00034000       0.51338000      -6.79327000      -0.43261030       1.34241002       0.19892835
O       -4.01863000       2.56648000      -4.95463000      -0.43699619      -0.57892810      -0.69594527
O       -3.43405000       2.98735000      -7.63616000       0.23902486       0.30330431      -0.01270682
Zn      -2.21990000      -1.00814000      -1.87184000      -0.66735768       0.19132127      -0.77218529
Zn      -1.36528000       0.27802000      -4.45728000      -1.40554006      -0.09136581       1.50533586
Zn      -2.43590000      -4.19608000      -1.71611000      -0.61058008      -0.24722598       0.28761261
Zn      -3.25921000      -2.58239000      -4.70886000       0.27286989       0.32630354      -1.32820468
Zn      -3.69312000       1.03338000      -3.34483000      -0.51299523      -0.42111588       0.35586310
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.86925274 magmom=-0.0003217 free_energy=-69.86925274 stress="0.019025871095771765 0.005131961603518113 -0.002762526130102922 0.005131961603518113 0.027045655652098752 0.010518919750298731 -0.002762526130102922 0.010518919750298731 0.01557068835990345" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.32140000       2.00724000      -6.61798000      -1.32255414       1.30376615      -1.92895272
O       -0.43370000      -0.09078000      -2.27704000       0.98426142       0.79858672       0.53970395
O        0.20407000       0.20146000      -5.54111000      -1.25874172      -1.90740287      -0.07520553
O       -2.83671000      -0.82265000      -3.72615000      -0.96144688      -1.09512178      -0.81545472
O       -1.78202000      -2.61134000      -6.30164000      -2.10366961      -0.17704285       1.55410635
O       -1.95078000       1.83853000      -3.50533000       0.31113225       1.30945282      -1.25414777
O       -4.33776000       0.41944000      -6.80726000       0.99628842      -0.54697662      -0.05432170
O       -4.02456000       2.46588000      -5.01776000       0.19511178       0.03851696       0.60405535
O       -3.43049000       2.95666000      -7.70038000       0.47203529      -0.68957770       0.65252855
Zn      -2.16752000      -0.91188000      -1.85085000      -0.58159659      -0.67691290       0.13267161
Zn      -1.41036000       0.18974000      -4.41057000       1.96748554      -0.09865915      -0.79291286
Zn      -2.44401000      -4.14771000      -1.73974000       0.80866819       1.58745319       0.80026850
Zn      -3.23589000      -2.62569000      -4.78346000       1.22404783       0.87345902       0.19925194
Zn      -3.78073000       1.08762000      -3.33192000      -0.73102177      -0.71954100       0.43840906
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.53606997 magmom=-0.0002927 free_energy=-69.53606997 stress="0.012540435666804108 0.0003021858350162739 0.004834519808516732 0.0003021858350162739 0.050554979281595074 0.009046071838673531 0.004834519808516732 0.009046071838673531 0.02466889111780004" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.32512000       1.92819000      -6.70667000      -0.57191392      -0.40318882       1.52680656
O       -0.33952000       0.11115000      -2.21020000      -1.13072568       0.49810516      -0.02391991
O        0.29203000      -0.01928000      -5.45770000      -1.15842137       1.25996932      -0.39123674
O       -2.84045000      -0.84560000      -3.60051000      -0.54857702      -0.69313018      -0.77598472
O       -1.93518000      -2.43350000      -6.12151000       2.02075238      -0.12146897      -2.47936527
O       -2.04924000       1.83340000      -3.72464000       0.60030110      -0.33317477       1.79310664
O       -4.52132000       0.29939000      -6.83658000       0.86390209       1.13934048      -0.31141283
O       -4.01746000       2.33550000      -5.06234000      -0.28362321      -0.13749268      -1.09958710
O       -3.30047000       2.80920000      -7.68413000      -0.04574523      -0.52754181      -0.05209212
Zn      -2.13667000      -0.82801000      -1.82034000      -0.26113367      -0.95547400       1.24698960
Zn      -1.37373000       0.08124000      -4.38531000       1.19645865       0.26001451      -0.40936048
Zn      -2.42745000      -4.01739000      -1.72653000      -0.48391013      -0.42076882      -1.10282021
Zn      -3.15443000      -2.62953000      -4.86382000      -1.29143475       0.69036712       2.13513194
Zn      -3.91398000       1.11395000      -3.29384000       1.09407076      -0.25555654      -0.05625534
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.62435768 magmom=2.89e-05 free_energy=-69.62435768 stress="0.030047766766164514 -0.003806169189358827 0.0023064404773019643 -0.003806169189358827 0.05341950852913107 -0.0009808601059322112 0.0023064404773019643 -0.0009808601059322112 0.017523054028825834" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38566000       1.88689000      -6.73669000      -1.23314906       0.81676773      -0.45503008
O       -0.40951000       0.33661000      -2.15033000       1.06952205      -1.83394313      -0.21156607
O        0.16581000       0.04359000      -5.46263000       0.85190594       1.41996791      -0.91738379
O       -2.95107000      -1.01719000      -3.64272000       1.36108247       0.79364983      -0.05052417
O       -1.84087000      -2.34189000      -6.30237000      -1.23047612      -1.29046152       0.65832501
O       -2.02012000       1.82084000      -3.64279000       0.06888744       0.08307305      -0.44025014
O       -4.51919000       0.27899000      -6.93711000      -0.10347804       0.44762319      -0.22617500
O       -4.03213000       2.21702000      -5.16889000       0.23326790       0.08561814       1.24299169
O       -3.18662000       2.56290000      -7.67463000      -0.86930461      -0.16240737      -0.09458088
Zn      -2.12704000      -0.80305000      -1.73829000      -0.62274849      -0.32412960      -0.14054970
Zn      -1.28583000       0.00064000      -4.37754000      -1.95603580       0.45403470       1.61805515
Zn      -2.43047000      -3.92143000      -1.77645000      -0.00176823      -0.45128827      -1.47241772
Zn      -3.11758000      -2.59704000      -4.84444000       0.44751090       0.09946093       0.76190115
Zn      -1.73884000       3.69362000      -8.09641000       1.98478364      -0.13796560      -0.27279544
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.66478253 magmom=-0.0003327 free_energy=-69.66478253 stress="0.016974785755156114 0.010650547273295976 -0.006344135726387451 0.010650547273295976 0.017561710428623426 0.02396762534259544 -0.006344135726387451 0.02396762534259544 0.024092453740041493" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.48375000       1.88617000      -6.74869000       3.52607793      -1.29973724       1.85216787
O       -0.37393000       0.25281000      -2.15171000      -1.73928047       0.68227115      -0.54911241
O        0.14667000       0.32017000      -5.57906000      -0.58109806      -3.85229001       1.27329131
O       -2.78074000      -1.00728000      -3.70044000       0.17435379       0.35145605       0.32873214
O       -1.89537000      -2.49144000      -6.39798000      -0.49718303       0.16478306       1.37307800
O       -1.94486000       1.80881000      -3.62951000       0.26300199       0.45417445      -0.72102448
O       -4.55547000       0.31230000      -7.08748000      -0.93381432      -0.36872440       0.19615110
O       -4.02803000       2.12357000      -5.09063000      -0.43680231      -0.10745151      -0.82128811
O       -3.21884000       2.34940000      -7.71642000       0.00846714       1.35211865      -0.19246117
Zn      -2.15452000      -0.78561000      -1.67258000      -0.79999162       2.01130976      -1.67591292
Zn      -1.28549000      -0.04775000      -4.30217000       0.38169533       1.17746139      -0.43552085
Zn      -2.44079000      -3.85866000      -1.90056000      -0.11994467       0.52064264       0.24939232
Zn      -3.07804000      -2.56573000      -4.77231000       0.24871151      -0.56159423      -0.04601554
Zn      -1.69794000       3.68795000      -8.08500000       0.50580679      -0.52441976      -0.83147727
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.7493801 magmom=-0.0002601 free_energy=-69.7493801 stress="0.018065235919837486 -0.0012451423358080748 0.0013085087079558015 -0.0012451423358080748 0.022989451457360827 0.003951122253200214 0.0013085087079558015 0.003951122253200214 0.0015570423932127822" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43191000       1.83019000      -6.69144000      -1.77315958      -0.80621450      -2.79994136
O       -0.49677000       0.18040000      -2.22598000       1.82877724      -0.34621788       0.71009664
O        0.04515000       0.02789000      -5.57884000       0.30744177       1.42167786      -0.09959693
O       -2.65963000      -0.97637000      -3.64754000      -1.75390859      -0.45315446       0.63767418
O       -2.10771000      -2.61908000      -6.25352000       0.66490862       1.18247678      -1.98103600
O       -1.83067000       1.86380000      -3.75107000      -0.55414441      -1.14172108       1.15666074
O       -4.77189000       0.29450000      -7.19848000       0.59762773       1.17673633       1.04366931
O       -4.08947000       2.00650000      -5.07112000       0.09207638      -0.02774089       0.57974837
O       -3.28024000       2.39989000      -7.77981000      -0.46688715       0.36901052       0.93942081
Zn       0.01663000       1.86141000      -6.50379000       0.03052864      -1.81476783       0.40258157
Zn      -1.25455000      -0.02308000      -4.24366000       1.45919060       0.96395163      -0.65944504
Zn      -2.45331000      -3.77205000      -2.02682000      -0.03165654      -1.02182268      -0.38042196
Zn      -3.02294000      -2.54932000      -4.69115000      -0.59938475       1.29854751       0.46811542
Zn      -3.85155000       1.07784000      -3.27525000       0.19859004      -0.80076132      -0.01752577
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.42076418 magmom=-0.0006752 free_energy=-69.42076418 stress="0.00035154375159884995 0.017322948705955802 -0.010100118395136677 0.017322948705955802 0.006419998929246641 -0.01619778525855768 -0.010100118395136677 -0.01619778525855768 -0.011710279058142653" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.45627000       1.76789000      -6.73391000       0.58752760       0.26242140       2.19449000
O       -0.37529000       0.08587000      -2.18346000      -2.40360464       1.38419424      -0.04743878
O        0.01399000      -0.08443000      -5.58092000       0.79599794       1.42503790      -0.79828436
O       -2.87027000      -1.01563000      -3.47133000       0.69483053       0.73878103      -0.84365933
O       -2.19939000      -2.50357000      -6.38970000       0.85701820       0.11397490       1.62453843
O       -1.81845000       1.74891000      -3.71973000      -0.43528816       0.74824507      -1.32332414
O       -4.90244000       0.29846000      -7.16361000       0.71500920      -1.34662619      -0.49078450
O       -4.14338000       1.88833000      -5.02551000       0.19122953      -0.02492988      -1.10319285
O       -3.38852000       2.55516000      -7.70124000       0.44444537      -0.28217661      -0.20192988
Zn      -0.05050000       1.86032000      -6.48626000       0.22048773      -0.98243686       0.94666666
Zn      -1.15328000       0.05272000      -4.21472000      -0.54423812      -1.08861771       0.75370878
Zn      -2.46679000      -3.73143000      -2.15532000       0.30004502      -0.28457927       1.80613443
Zn      -2.99132000      -2.48606000      -4.60390000      -0.10435956      -0.16408640      -1.30234759
Zn      -3.76394000       0.99882000      -3.31297000      -1.31910063      -0.49920163      -1.21457685
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.80501351 magmom=-0.0002133 free_energy=-69.80501351 stress="0.032878915692638726 0.012600372485724891 -0.017793001994852228 0.012600372485724891 0.02974545504615068 0.004678434551277657 -0.017793001994852228 0.004678434551277657 0.01432409813129137" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.51343000       1.71581000      -6.71190000      -1.42468807       0.75782584      -1.39546265
O       -0.56553000       0.18020000      -2.11463000       1.10979461      -0.84318621      -0.17637810
O        0.13471000       0.13647000      -5.70454000      -0.55264539      -1.38261991       0.83524560
O       -2.95429000      -0.90271000      -3.47450000       0.99635064      -0.15043642      -0.74339391
O       -2.08557000      -2.33230000      -6.30774000       0.74102152      -0.35012944      -0.25896059
O       -1.91064000       1.78496000      -3.89131000       0.13948930       0.74208399       0.32578105
O       -4.83540000       0.16371000      -7.17728000       0.65951997       1.43619097      -0.01978252
O       -4.14716000       1.76590000      -5.11468000      -0.13740269       0.18200390       0.49670875
O       -3.43469000       2.63955000      -7.61198000      -0.44866593      -1.07944087       0.41786956
Zn      -0.10822000       1.80462000      -6.41632000      -0.21450517       1.64109970       0.02633280
Zn      -1.06501000       0.07030000      -4.15171000       0.38302826      -0.68378946      -0.31057204
Zn      -2.46885000      -3.72189000      -2.20426000      -0.20713961      -0.68956389       1.44848838
Zn      -2.96839000      -2.41620000      -4.57965000       0.07034098       0.31109423      -1.29199346
Zn      -3.74182000       0.88575000      -3.39930000      -1.11449840       0.10886756       0.64611713
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.75304293 magmom=-0.0001596 free_energy=-69.75304293 stress="0.014769790947382672 0.0035434060991136394 -0.009037134409544869 0.0035434060991136394 0.011588517938009349 0.004594680152257032 -0.009037134409544869 0.004594680152257032 0.021006957512084052" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.65554000       1.72038000      -6.72108000       1.33020064      -1.01344161       0.15763868
O       -0.61926000       0.15066000      -2.09873000       0.06275209      -0.09513450      -0.56458683
O        0.17540000       0.10531000      -5.67875000      -0.40703135      -0.03919746       0.45513322
O       -2.80365000      -0.80365000      -3.63358000       0.96920799      -0.01700788       0.74441188
O       -1.79713000      -2.23040000      -6.22259000      -0.60818288      -1.00520413      -0.77582293
O       -1.97065000       1.93661000      -4.01181000       0.78922037      -1.11523673       1.43870970
O       -4.63706000       0.17860000      -7.25230000      -0.65246676       0.59525029      -0.20725658
O       -4.20494000       1.68400000      -5.14724000      -0.76679391       0.21017638       0.80881208
O       -3.49163000       2.55703000      -7.49985000       0.88207782       0.69591755      -0.74374691
Zn      -0.18089000       1.83109000      -6.33529000      -0.08656340       0.91669880      -0.11852248
Zn      -0.95865000       0.04832000      -4.10009000      -0.48018702       0.35957289      -0.66906585
Zn      -2.48319000      -3.74805000      -2.17006000      -0.55488419      -0.64111057       0.17900809
Zn      -2.94009000      -2.32293000      -4.63253000       0.22488171       0.00843110      -1.31356004
Zn      -3.78649000       0.77569000      -3.46971000      -0.70223110       1.14028586       0.60884797
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.37727358 magmom=-0.0002629 free_energy=-69.37727358 stress="0.007932340457979052 -0.0023038775264096027 -0.005540441000548147 -0.0023038775264096027 0.012472583366009883 -0.005378848166999792 -0.005540441000548147 -0.005378848166999792 0.011826828855197338" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.67941000       1.70524000      -6.72623000       2.77153446       1.11100970       1.18216486
O       -0.63025000       0.09076000      -2.18165000       1.08248166      -0.27600564       0.77047405
O        0.15080000       0.00612000      -5.57678000       0.32206924       1.35182770      -1.61977391
O       -2.52481000      -0.75032000      -3.64918000      -2.22751671      -0.96809173       0.40081529
O       -1.69403000      -2.33078000      -6.27814000      -2.38939715       0.57078715       0.29205754
O       -1.86372000       1.91546000      -3.87024000       0.00604283       0.98314840      -0.76611507
O       -4.58952000       0.25066000      -7.38239000      -0.73740150      -0.66150072      -0.07327037
O       -4.42696000       1.65317000      -5.03919000      -0.47630549       0.25629012      -1.51096741
O       -3.42284000       2.56696000      -7.48831000      -0.41235126      -0.05367582       0.67047241
Zn      -0.25339000       1.90629000      -6.26983000       0.97604428      -2.75003677       0.00414409
Zn      -0.88015000       0.04772000      -4.08572000      -0.22838344       0.79986272      -0.60484891
Zn      -2.51741000      -3.79803000      -2.12263000       0.45499225       0.64032219       0.39016918
Zn      -2.90003000      -2.23859000      -4.74614000       0.43217331      -0.98319369       0.25696330
Zn      -3.86441000       0.72185000      -3.49859000       0.42601752      -0.02074360       0.60771495
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.67095932 magmom=-0.0001168 free_energy=-69.67095932 stress="0.019241772866843223 0.00537689500530752 -0.005234519753391723 0.00537689500530752 0.02150969551833321 0.008937939540554305 -0.005234519753391723 0.008937939540554305 0.001776421539954105" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.53960000       1.71013000      -6.69663000      -1.39319920      -1.86526902      -0.90431164
O       -0.49752000       0.03052000      -2.15039000      -0.65836947       1.05280844      -0.59587837
O        0.15804000       0.18073000      -5.74505000      -0.10838652      -1.65666664       1.05269139
O       -2.63672000      -0.84103000      -3.56373000      -0.21592089       0.63141944      -0.25031093
O       -2.02386000      -2.36938000      -6.39224000       1.43146284      -0.05056682      -2.36116282
O       -2.79972000      -3.96521000      -3.93058000       0.03302711      -0.58281306      -0.39396534
O       -4.70354000       0.26343000      -7.49909000       0.49272501       1.32014651       1.07316341
O       -4.68740000       1.64693000      -5.04802000       1.43394280      -0.72278086       1.20312591
O       -3.35354000       2.62251000      -7.38354000       0.65110610       0.26089822       0.06552520
Zn      -0.27424000       1.85560000      -6.20899000       0.13851306       1.05719244      -1.22310136
Zn      -0.82634000       0.08760000      -4.10360000      -1.06052231       0.46469545       0.11029062
Zn      -2.53594000      -3.82278000      -2.05799000      -0.28836460      -0.01631982      -0.23641660
Zn      -2.84823000      -2.20601000      -4.83657000      -0.86469124      -0.25460003       2.36700567
Zn      -3.92463000       0.67847000      -3.49638000       0.40867733       0.36185575       0.09334486
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.26857004 magmom=-0.0001094 free_energy=-69.26857004 stress="0.02184545212157923 -0.0016041970133833577 -0.01696836540182774 -0.0016041970133833577 0.008942458599131245 -0.00928595227071235 -0.01696836540182774 -0.00928595227071235 0.01770857864960802" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.46998000       1.68656000      -6.66460000      -2.57113797       1.62412442       1.56125114
O       -0.42221000       0.15292000      -2.19773000       0.17957076      -0.17283679       0.23226810
O        0.16351000       0.06777000      -5.73524000      -0.00174402       0.47874306       1.02713734
O       -2.83571000      -0.87060000      -3.53734000       1.17739738      -0.22894559      -0.45056121
O       -2.12533000      -2.32870000      -6.75611000       1.92006431       0.69855876       3.67713103
O       -1.57744000       2.06982000      -3.96168000       0.40023802      -0.41975823      -0.13925299
O       -4.74077000       0.35442000      -7.49831000       0.60961711      -0.74322043      -0.33904043
O       -4.66696000       1.50779000      -4.96933000       0.72352221       0.17902808      -1.72634688
O       -3.24382000       2.65890000      -7.20506000      -0.80719794      -0.96119888       0.42637669
Zn      -0.28231000       1.83775000      -6.21396000       0.08391440       0.61706834      -1.29137099
Zn      -0.82805000       0.15998000      -4.11712000      -1.01979761       0.24750323       0.53170982
Zn      -2.56992000      -3.85251000      -2.00931000      -0.47939374      -1.00465532      -1.76433215
Zn      -2.82508000      -2.19461000      -4.83665000       0.15902829      -0.49100362      -0.55639216
Zn      -3.96707000       0.65202000      -3.49825000      -0.37408121       0.17659295      -1.18857732
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.16727242 magmom=-0.0003442 free_energy=-69.16727242 stress="0.0022435139006117748 0.0031632930690683567 0.00025478642285778135 0.0031632930690683567 0.005727404289183846 0.01023153016164646 0.00025478642285778135 0.01023153016164646 -0.008327374614502926" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.58401000       1.72567000      -6.60277000       1.34088772       0.36166150      -3.79484241
O       -0.36122000       0.29318000      -2.20708000      -0.68805621      -0.34940953       0.76555169
O        0.19357000      -0.09813000      -5.52971000       0.14769574       0.99596875      -1.85472957
O       -2.81408000      -0.88616000      -3.57774000       0.56865587       0.76444895       0.67434716
O       -1.90554000      -2.21729000      -6.55265000      -2.01843719      -1.53799375      -0.37714509
O       -1.33318000       2.04321000      -4.10547000      -0.67988692       1.40982192       0.42329598
O       -4.63041000       0.37512000      -7.50101000      -0.14467072       0.48580091       0.28073062
O       -4.46719000       1.36386000      -5.06006000      -0.80069689       0.15669751       2.03104263
O       -3.17252000       2.56741000      -6.94558000      -0.17228697      -0.01079313      -0.32611096
Zn      -0.29151000       1.87251000      -6.29857000       0.37024968      -1.41787651      -0.00191769
Zn      -0.89423000       0.24800000      -4.09989000      -0.70910002      -1.43101451       0.29154567
Zn      -2.61758000      -3.92125000      -2.04563000       2.54491203       1.82921206      -0.69524183
Zn      -2.79215000      -2.21434000      -4.85481000      -0.03936213      -0.43143667       0.04223923
Zn      -4.02074000       0.62848000      -3.51891000       0.28009602      -0.82508750       2.54123457
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.26556283 magmom=0.0003722 free_energy=-69.26556283 stress="0.013088681427350412 -0.001714840682563529 0.0026616644723418 -0.001714840682563529 0.005806114518981751 0.015233156303212985 0.0026616644723418 0.015233156303212985 0.0158720719924763" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.62316000       1.77802000      -6.64730000       1.43886404      -1.32260878       1.01142997
O       -0.46031000       0.38522000      -2.07537000       1.02173770      -1.51301189      -0.21161891
O        0.21448000      -0.00713000      -5.63818000      -1.10001441       0.86561450      -0.30285184
O       -2.63999000      -0.78082000      -3.52745000      -0.28109467      -0.34791979      -1.20223905
O       -1.90401000      -2.32090000      -6.44232000       0.05147742       0.49758820      -2.48037239
O       -2.24404000      -3.82810000      -4.19136000      -0.27517996      -1.22244381       1.64018500
O       -4.53817000       0.40580000      -7.53399000      -0.74430857       1.19506586       0.19207245
O       -4.46080000       1.33099000      -5.04698000      -1.01501943       0.18068031      -0.01976403
O       -3.11830000       2.49941000      -6.78761000      -0.17825243       0.78488448      -1.16651202
Zn      -0.27810000       1.83102000      -6.38913000       0.86677777      -1.68514427       1.19086144
Zn      -1.00393000       0.27543000      -4.07493000       0.44191054      -0.73792939      -1.14238974
Zn      -2.56306000      -3.91616000      -2.12939000       0.71063855       1.56387140       0.15301054
Zn      -2.77277000      -2.24085000      -4.85644000      -0.82015297       1.69995332       1.29047019
Zn      -4.06596000       0.56106000      -3.40770000      -0.11738358       0.04139986       1.04771842
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.27368382 magmom=-0.0002156 free_energy=-69.27368382 stress="-0.00624116023800614 -0.01226237264040846 -0.0031580209536908508 -0.01226237264040846 -0.024963390752780607 0.0034487505736046755 -0.0031580209536908508 0.0034487505736046755 -0.004870322902417426" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.56067000       1.77428000      -6.61802000      -0.30623491       0.00899236       2.27500162
O       -0.44725000       0.24475000      -2.00083000       0.18593024      -0.03060579      -0.73192629
O        0.04218000       0.17125000      -5.80310000      -0.14773836      -3.31603597       2.10826521
O       -2.55512000      -0.75741000      -3.67964000      -1.50919134      -0.40590961      -0.01417247
O       -1.93063000      -2.36112000      -6.71934000       1.24750208       0.74705729       2.52503414
O       -2.16787000      -3.82366000      -3.96295000      -0.07199567       0.39623182      -2.27174179
O       -4.59477000       0.53460000      -7.61616000      -0.18229130      -0.62528962      -0.46298037
O       -4.65547000       1.32709000      -4.99458000       0.60729074      -0.44544338      -0.07567959
O       -3.09988000       2.58912000      -6.84230000      -1.96998646      -0.43539097       1.15238639
Zn      -0.22714000       1.72955000      -6.43317000       0.03289451       3.69435308      -1.00310734
Zn      -1.08641000       0.26400000      -4.10805000       1.48975530       0.55632408      -1.17767447
Zn      -2.46011000      -3.82684000      -2.19869000      -0.41880741       0.15199044       2.25557792
Zn      -2.78178000      -2.20470000      -4.80550000       0.85210650      -1.09770663      -1.38370090
Zn      -1.87674000       3.06602000      -8.08017000       0.19076610       0.80143292      -3.19528207
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.8819391 magmom=-0.0001002 free_energy=-69.8819391 stress="-0.0007311819463543628 0.0018071033320623026 0.012987409427813316 0.0018071033320623026 -0.002509835861911486 -0.006080597265946574 0.012987409427813316 -0.006080597265946574 0.012715686195587758" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.55061000       1.71241000      -6.49361000      -2.81778389      -1.15383169      -1.81535312
O       -0.45647000       0.14065000      -2.07710000      -0.00922581       0.05542468       0.12096556
O       -0.13541000      -0.03243000      -5.63939000       1.45260248       1.63184523      -1.42046376
O       -2.74611000      -0.73958000      -3.77536000       0.03754785       0.34607172       0.93643935
O       -1.80548000      -2.28908000      -6.58999000      -0.59334181      -0.63950481      -0.17042800
O       -2.13578000      -3.79867000      -4.08244000      -0.11327868      -0.62783940       0.68005717
O       -4.66420000       0.59255000      -7.70104000       0.71388731       0.36579511       1.62496171
O       -4.71285000       1.22660000      -4.90654000       0.23366714      -0.29651644       0.02758991
O       -3.26360000       2.69172000      -6.74339000       1.08106918       0.74268074       0.22596866
Zn      -0.16988000       1.76199000      -6.48537000       0.69577793       0.11068020       0.53457490
Zn      -1.09425000       0.27216000      -4.18115000      -0.95276188       0.20880997       1.74294608
Zn      -2.39247000      -3.75008000      -2.17881000      -0.15147655      -1.30166552      -0.96709969
Zn      -2.75265000      -2.22715000      -4.83627000       0.39522689      -0.36737501      -1.45127432
Zn      -1.90586000       3.05281000      -8.06826000       0.02808986       0.92542524      -0.06888444
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.01715332 magmom=-0.0002575 free_energy=-70.01715332 stress="0.01367361907893844 0.017297241178168117 0.0056551697998663 0.017297241178168117 0.002227019064988219 -0.0007029306977639303 0.0056551697998663 -0.0007029306977639303 0.007661794517929343" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.64817000       1.65539000      -6.44163000       0.58780372       2.47153708      -0.86703795
O       -0.52609000       0.10223000      -2.13541000       0.63774479      -0.35760064       0.48878062
O       -0.01955000       0.05315000      -5.69528000       0.22393791       0.97084646       0.09938498
O       -2.85663000      -0.71774000      -3.69514000       1.21573310      -1.37686630      -0.62366207
O       -1.74583000      -2.31069000      -6.48885000      -0.20440818       0.07202486      -1.86536952
O       -2.13178000      -3.86473000      -4.10488000      -0.28684458       0.67873084       0.95324687
O       -4.59679000       0.55601000      -7.60077000       0.52512268      -0.67260384       0.14444774
O       -4.72049000       1.08959000      -4.88153000      -0.68387367       0.31536892      -0.87969350
O       -3.35506000       2.80702000      -6.55924000      -0.35336835      -1.08843203      -0.27502379
Zn      -0.08944000       1.81336000      -6.50868000       0.14022114      -0.54268945       0.61078482
Zn      -1.13843000       0.28452000      -4.17571000      -0.27614745      -0.98928417      -0.24526629
Zn      -2.34885000      -3.74903000      -2.19264000      -0.29406579      -0.75410982      -0.54619910
Zn      -2.71351000      -2.27041000      -4.93263000      -0.69813003       0.72134662       1.04701304
Zn      -1.93940000       3.09546000      -8.06819000      -0.53372530       0.55173148       1.95859415
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.5853612 magmom=-0.000483 free_energy=-69.5853612 stress="0.0024600421319541954 0.00016667512590881517 -0.006432764719069355 0.00016667512590881517 0.003253041089438421 0.0054620959614491964 -0.006432764719069355 0.0054620959614491964 0.003930872675482746" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.69839000       1.69336000      -6.45772000       1.02966494      -1.93910956       0.97267263
O       -0.56756000       0.07190000      -2.14051000       0.93905520       0.75442228      -0.43955169
O        0.20159000       0.24408000      -5.78908000      -1.12159794      -2.71455771       1.41110682
O       -2.73354000      -0.93997000      -3.71991000      -0.32428260       1.44198452       0.11995735
O       -1.78434000      -2.33264000      -6.73841000      -0.56301483       0.44011556       0.88552672
O       -2.18300000      -3.84038000      -3.98999000      -0.00141229      -0.28266447      -2.22717982
O       -4.41559000       0.42413000      -7.42234000      -0.02235699       0.72378499      -0.35218320
O       -4.86174000       0.99313000      -4.94833000      -0.05502447       0.52612396       0.64894872
O       -3.43235000       2.77477000      -6.42014000       1.13922235       0.50144888      -0.60405854
Zn       0.00023000       1.85430000      -6.50455000      -1.24346623       0.26724966      -0.19716964
Zn      -1.21085000       0.25535000      -4.16605000       0.57535145      -0.04577745      -1.45249150
Zn      -2.31850000      -3.78075000      -2.21830000      -0.17057152       1.21550095       2.38963352
Zn      -2.70032000      -2.28127000      -4.99759000       0.00239444      -0.49537257      -0.28562847
Zn      -2.00324000       3.17432000      -7.97670000      -0.18396150      -0.39314904      -0.86958290
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.58799838 magmom=-1.46e-05 free_energy=-69.58799838 stress="0.02019368225074028 -0.013004321795431357 -0.009685517394612578 -0.013004321795431357 0.04037927689126845 -0.004305431617492743 -0.009685517394612578 -0.004305431617492743 0.0395895660107238" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.65056000       1.65199000      -6.40361000       1.01574408      -0.32958881      -0.59154113
O       -0.46531000       0.20045000      -2.22633000       1.03707910      -1.26572875       0.57922661
O        0.19349000       0.00804000      -5.61376000      -0.60780783       1.22971312      -0.19210030
O       -2.66150000      -0.92623000      -3.73504000      -1.01468534       0.19577366       0.36783837
O       -1.86616000      -2.23360000      -6.83386000       1.01364276       0.26459379       1.21953638
O       -1.17836000       2.13498000      -4.13170000       0.24553403      -0.55872994       1.06340073
O       -4.18968000       0.35701000      -7.32957000      -0.90647358       1.68020753       0.63453594
O       -5.03456000       1.01606000      -4.89785000       0.50184705       0.61660436       0.21920401
O       -3.33904000       2.76657000      -6.39306000      -0.61435313      -0.72312732       0.15427254
Zn       0.03915000       1.88954000      -6.49852000      -0.37888056      -1.37897945       0.33957784
Zn      -1.25726000       0.21514000      -4.24179000       0.91636155       0.35314813      -0.97210349
Zn      -2.29733000      -3.76117000      -2.15154000      -0.24221365      -0.17718472      -1.35368944
Zn      -2.69650000      -2.30737000      -5.07487000      -0.44814166       0.66969415       0.32995097
Zn      -2.10071000       3.23802000      -7.92389000      -0.51765281      -0.57639577      -1.79810903
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.88720706 magmom=-0.0002241 free_energy=-68.88720706 stress="0.010057804889172428 -0.0028057494858184863 0.004435773745376076 -0.0028057494858184863 0.019275896982306036 -0.009035811752621475 0.004435773745376076 -0.009035811752621475 0.032529085528645856" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.54478000       1.61463000      -6.31966000       0.02728512       1.74285940       1.47872396
O       -0.14589000       0.13090000      -2.25271000      -2.05058503      -0.10553913      -0.42823227
O        0.09182000      -0.07794000      -5.49220000       1.81270867       1.05102665      -2.11017968
O       -2.79627000      -0.81926000      -3.65997000      -0.15046663      -0.16691729       0.04989311
O       -1.77333000      -2.07408000      -6.70696000      -0.33553587      -1.12448278      -1.13503345
O       -1.19486000       2.03996000      -4.20158000       0.19543573       1.35909742       1.29028939
O       -4.07835000       0.43982000      -7.24746000      -0.03300886      -2.03793099      -1.13374641
O       -5.12283000       1.18760000      -4.77970000       0.30808989       0.15072406      -0.56798147
O       -3.24300000       2.67318000      -6.33426000       1.19929966       0.71538670       0.42480814
Zn       0.04990000       1.85508000      -6.47346000      -0.31586723      -0.47352154       0.01820207
Zn      -1.27596000       0.18007000      -4.37588000      -1.57498967      -0.49480876       1.29409281
Zn      -2.28571000      -3.73941000      -2.13440000      -0.09781797      -0.44045471      -1.86645336
Zn      -2.71949000      -2.31229000      -5.13440000      -0.65479472       0.32679059       2.10962346
Zn      -2.23362000       3.27713000      -7.95822000       1.67024691      -0.50222963       0.57599370
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.12072727 magmom=0.0006288 free_energy=-69.12072727 stress="0.05452322719350469 -0.01025774048044329 -0.006132496756252755 -0.01025774048044329 0.04909726155579664 0.015418426002037942 -0.006132496756252755 0.015418426002037942 0.03588934498450522" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40804000       1.64980000      -6.22202000      -0.73291466      -0.26570775      -3.41874714
O       -0.15668000      -0.03573000      -2.30140000       0.71045385      -0.39473564       0.63986758
O        0.26134000       0.11126000      -5.72010000      -0.96851979      -0.70553296       0.90726611
O       -2.99073000      -0.74594000      -3.58932000       0.83208248      -0.25690081      -1.34011025
O       -1.73819000      -2.14650000      -6.75548000      -0.35036980      -0.75792635       0.74769801
O       -2.21924000      -3.85797000      -4.06578000       0.22283798      -0.71527492      -1.16534019
O       -4.05126000       0.33046000      -7.20867000      -0.39376172       1.61604303       2.16115220
O       -5.13285000       1.41462000      -4.73451000       0.41229387      -0.20968053       0.17521182
O       -2.97438000       2.67006000      -6.17968000      -1.58171802      -0.57031307      -0.51150153
Zn       0.04312000       1.79187000      -6.44805000      -0.34816601       1.57437697      -0.97825846
Zn      -1.35202000       0.12692000      -4.46940000       0.32166919       0.79061774       0.59563927
Zn      -2.28095000      -3.74299000      -2.22750000      -0.21942182       0.03800217       0.03111006
Zn      -2.77847000      -2.29167000      -5.08694000       0.21287598       0.47709278       1.29906391
Zn      -2.28477000       3.28799000      -7.96890000       1.88265847      -0.62006066       0.85694860
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.53408182 magmom=-8.76e-05 free_energy=-69.53408182 stress="0.03106263322900686 -0.004651299808805699 -0.009852947955336935 -0.004651299808805699 0.0183039247978521 0.005347167115522049 -0.009852947955336935 0.005347167115522049 0.02917654992784676" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35104000       1.71332000      -6.25250000      -2.37588513      -1.35447047       1.87190623
O       -0.14017000      -0.22315000      -2.29828000      -0.89604910       1.29958658      -1.15895513
O        0.27647000       0.11558000      -5.78902000      -1.40156377      -0.83716825       0.56899545
O       -3.00867000      -0.73973000      -3.78645000       0.44377885      -0.00772950      -0.27678524
O       -1.75667000      -2.37443000      -6.68342000       0.61926157       0.67143987       0.13234760
O       -1.06389000       2.12871000      -4.06117000      -0.10343285      -0.89816898      -0.64309036
O       -4.03804000       0.29206000      -6.90028000       0.69369152      -0.97319794      -0.11898074
O       -5.02241000       1.59030000      -4.69080000       0.66103058      -0.27107939       0.20028053
O       -2.94155000       2.61746000      -6.12938000       0.24179799       1.06112521      -1.05187610
Zn       0.01330000       1.81970000      -6.47385000      -0.04606663       0.67455162      -0.23352131
Zn      -1.41760000       0.11485000      -4.52304000       1.09294967       1.20509101       0.05990976
Zn      -2.29126000      -3.74670000      -2.30966000      -0.48790341      -0.07031553       0.58084371
Zn      -2.83056000      -2.24952000      -4.96922000       0.22370607      -0.35580926       0.09087856
Zn      -2.23174000       3.26662000      -7.93622000       1.33468465      -0.14385497      -0.02195297
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.59201856 magmom=-2.18e-05 free_energy=-69.59201856 stress="0.03140556256205733 -0.010729184801995584 0.007242475791592827 -0.010729184801995584 0.01612214562655538 -0.0050694254581897845 0.007242475791592827 -0.0050694254581897845 0.03759552883746586" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.42659000       1.69269000      -6.21989000       0.23091717      -0.11606034      -0.44330244
O       -0.20723000      -0.19714000      -2.42874000       0.72406876      -0.71844031       1.11554947
O        0.04277000      -0.06520000      -5.72787000       0.54127935       1.27141754      -1.23708346
O       -2.96338000      -0.68908000      -3.97825000      -0.83982598       0.64528057       1.62751264
O       -1.68227000      -2.39656000      -6.59696000      -0.21227738       1.53227634      -0.57705129
O       -1.00805000       1.98139000      -4.28028000      -0.47701948       1.68953641       1.70034066
O       -3.93429000       0.18542000      -6.61069000      -0.54880597       0.94420942      -0.19924692
O       -4.80933000       1.69309000      -4.59282000      -0.45129220       0.19469135      -0.11798503
O       -2.99542000       2.70717000      -6.28496000      -1.55225805      -0.34219183      -0.14332544
Zn      -0.01260000       1.87495000      -6.51219000       0.71675472      -2.01544587       0.77389457
Zn      -1.42134000       0.16167000      -4.56529000       0.49247299       0.02668916       0.04170844
Zn      -2.32485000      -3.75824000      -2.35125000      -0.24085210      -0.88366102      -1.07840613
Zn      -2.86152000      -2.24876000      -4.86649000       0.47966663      -2.13293084      -1.28523431
Zn      -2.11118000       3.23767000      -7.90312000       1.13717154      -0.09537059      -0.17737077
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00588584 magmom=-0.0001242 free_energy=-70.00588584 stress="0.012814606431935273 -0.007628048375776175 0.0015788724021805424 -0.007628048375776175 0.0204758459923222 0.004957478443315455 0.0015788724021805424 0.004957478443315455 0.013231689624465155" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.48721000       1.67742000      -6.18382000       1.18722108      -1.19103909       0.78832934
O       -0.21612000      -0.27526000      -2.38917000      -1.49839152      -0.24981259      -0.16596943
O       -0.05741000       0.04398000      -5.89949000       0.37342089       0.58209865      -0.04879085
O       -3.02685000      -0.59253000      -3.86524000       1.31266290      -1.69703810      -0.33484009
O       -1.66668000      -2.18826000      -6.61165000      -0.69226204      -1.44667869       0.70827666
O       -1.04915000       2.11380000      -4.15955000       0.29161875      -0.83073488      -0.60648386
O       -3.91016000       0.16349000      -6.44474000      -0.69254641       0.95731149      -0.43011859
O       -4.72696000       1.80439000      -4.53330000      -0.69331478       0.08913639       0.04819586
O       -3.25783000       2.77755000      -6.47053000       1.10222216       0.77328956      -0.04860331
Zn      -0.00133000       1.83763000      -6.50865000       0.34416773       0.70758486      -0.19078350
Zn      -1.40153000       0.20664000      -4.59328000      -0.24585117      -0.15244909       0.26387051
Zn      -2.36299000      -3.80457000      -2.42981000      -0.01505442       0.12859650       1.04998127
Zn      -2.86589000      -2.32946000      -4.84382000      -0.20864295       1.48293127      -0.98356313
Zn      -1.96493000       3.21552000      -7.88251000      -0.56525024       0.84680372      -0.04950087
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00582729 magmom=-0.0002754 free_energy=-70.00582729 stress="0.02550868997176669 -0.0036774166365366556 0.0014992732816189649 -0.0036774166365366556 0.003045280256033056 0.0036742846160497415 0.0014992732816189649 0.0036742846160497415 0.01748832898086438" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.49483000       1.67640000      -6.12356000      -1.17735471       2.76656987      -0.81812427
O       -0.40549000      -0.43631000      -2.30255000       1.87831374      -0.02089990       0.65597764
O       -0.07061000       0.13978000      -6.04924000      -0.64222312      -1.81278910       1.37157106
O       -2.87917000      -0.78749000      -3.79301000       0.03578095       0.91085103      -0.01327517
O       -1.75485000      -2.24803000      -6.50739000       0.71341853      -0.41254553      -0.24850477
O       -1.03092000       2.10224000      -4.16568000      -0.01618956      -0.98354777      -0.34163711
O       -3.98069000       0.19923000      -6.41415000       0.41583156      -0.62588212      -0.21826811
O       -4.78826000       1.90696000      -4.47310000       0.36267438      -0.62332604      -0.30269852
O       -3.37179000       2.91460000      -6.61682000      -0.20768565      -1.07065913       0.67496552
Zn       0.02866000       1.85679000      -6.51717000      -0.19565139       1.46765883      -0.24885953
Zn      -1.39149000       0.23526000      -4.60573000       0.31175382      -0.60257010      -0.17823708
Zn      -2.40558000      -3.84529000      -2.43877000      -0.25729994       0.25787844       1.25987462
Zn      -2.87876000      -2.33831000      -4.88174000      -0.29421408       0.63587335      -0.63013031
Zn      -1.85277000       3.23185000      -7.87525000      -0.92715451       0.11338818      -0.96265396
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.97984619 magmom=-0.0002465 free_energy=-68.97984619 stress="-0.025737372262622397 -0.008061201687958123 -0.0027356605651950357 -0.008061201687958123 -0.0023374010963473422 -0.00649674225354918 -0.0027356605651950357 -0.00649674225354918 -7.298880690295491e-05" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52933000       1.78289000      -6.08858000       2.61742645      -3.25275206       1.16279591
O       -0.37785000      -0.60974000      -2.12835000      -1.49344172       1.07089854      -1.77842337
O       -0.17461000      -0.06762000      -5.92794000       1.36764076       1.40329146      -0.81209667
O       -2.66718000      -0.87224000      -3.72087000      -1.26926115       0.57631571      -0.03548356
O       -1.73304000      -2.41992000      -6.44841000      -0.37441511       1.74592548      -0.91934084
O       -1.00127000       1.93823000      -4.24625000      -0.77149847       2.44433163       1.87422335
O       -4.01274000       0.24241000      -6.41309000       0.21842075       1.37478144       0.46260982
O       -4.79672000       1.89756000      -4.42368000       0.39936787      -0.04023604       0.33245257
O       -3.45336000       2.92327000      -6.66521000       1.29336585       0.79828431       0.01547397
Zn      -2.18397000      -0.63369000      -1.70236000      -0.27383514      -3.87731308       0.95570822
Zn      -1.37422000       0.21646000      -4.62829000      -1.02592701      -1.66157217       0.50019481
Zn      -2.46816000      -3.88123000      -2.37740000       0.43680284       0.00830398      -1.56414710
Zn      -2.91585000      -2.30201000      -4.96487000      -0.00110078      -0.49576872       0.68647545
Zn      -1.78449000       3.26852000      -7.92212000      -1.12354513      -0.09449049      -0.88044255
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.40825955 magmom=-0.0001158 free_energy=-69.40825955 stress="0.0003372030729859468 -0.00029671764887108756 0.004203859076808219 -0.00029671764887108756 0.017189635313894603 0.011363404760524642 0.004203859076808219 0.011363404760524642 -0.01636042591041658" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.46584000       1.82336000      -5.99829000       0.28966103       1.24175094      -2.45300400
O       -0.35077000      -0.58124000      -2.18059000       1.31000350       0.85334705       0.66522290
O       -0.01967000      -0.02003000      -5.87690000      -0.19197165       0.66901628       0.35477008
O       -2.72479000      -0.79817000      -3.64849000      -1.13117621      -0.15461737      -0.99078421
O       -1.75627000      -2.31480000      -6.58663000      -0.39856185      -0.84497117       1.18913825
O       -2.23707000      -3.81772000      -4.06324000       0.06355478      -0.88481761      -3.56596077
O       -3.89218000       0.38372000      -6.35295000       0.79816647      -0.92261434       0.06172618
O       -4.71057000       1.89274000      -4.33700000      -0.96113920       1.67757392      -1.35225603
O       -3.32135000       3.01784000      -6.63895000      -0.77982293      -0.89737128       1.45916911
Zn      -2.18512000      -0.74129000      -1.66318000      -0.51254870      -1.03886924       0.58589140
Zn      -1.39608000       0.09644000      -4.63231000       0.80558898       0.84072933       0.23038713
Zn      -2.53307000      -3.92308000      -2.36529000       0.68825089       1.29762937       2.19856042
Zn      -2.97175000      -2.28219000      -5.04980000       0.09805826      -0.17825184       0.56903857
Zn      -1.75676000       3.30552000      -8.04443000      -0.07806338      -1.65853405       1.04810095
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.250591 magmom=-0.0002257 free_energy=-69.250591 stress="0.013481101976893858 -0.015024782884411442 0.0012505206504633574 -0.015024782884411442 0.005598408966622715 0.019141950938396816 0.0012505206504633574 0.019141950938396816 0.01695878539685155" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34120000       1.88650000      -6.01251000      -1.10430058      -1.04336295      -0.02596251
O       -0.17033000      -0.35925000      -2.22662000      -0.67711262      -0.00107591       0.06310111
O        0.17194000       0.04178000      -5.75708000      -0.86803065      -2.39712649       0.80693069
O       -2.99045000      -0.76558000      -3.75694000       1.39137652      -0.95330212      -0.24874501
O       -1.84620000      -2.27244000      -6.57947000       1.14677409      -1.14345542      -0.33323034
O       -2.45098000      -3.71403000      -4.19661000       0.56850721      -2.83949246       1.11711032
O       -3.61773000       0.42901000      -6.25458000      -0.35554878       0.45217177       0.11337979
O       -4.75944000       2.14733000      -4.39065000       0.03543604      -0.70802573      -0.09515398
O       -3.23922000       3.04462000      -6.38550000       0.44322103       1.10474841      -1.12357285
Zn       0.02177000       1.66471000      -6.43404000      -0.02045342       2.90506778      -1.16916840
Zn      -1.39803000      -0.00489000      -4.61696000       0.31805683       0.99635551       0.33597559
Zn      -2.56556000      -3.90820000      -2.29545000       1.02200400       1.13567076      -0.54563790
Zn      -3.03927000      -2.25902000      -5.11601000      -0.72612200       1.24040917       0.80692247
Zn      -3.98780000       0.71950000      -3.31484000      -1.17380767       1.25141767       0.29805101
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.74256978 magmom=0.000612 free_energy=-69.74256978 stress="0.02847969965834119 -0.02701878440117605 0.004787504199237408 -0.02701878440117605 0.04526011472679705 -0.008410434445905005 0.004787504199237408 -0.008410434445905005 0.03032122621146664" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30402000       1.92119000      -6.03881000      -0.64799477       0.31227823      -0.86994651
O       -0.16666000      -0.23835000      -2.23488000       0.42364254      -1.02912181       0.59541614
O        0.16023000      -0.21050000      -5.60000000       0.20767091       1.18240161      -1.31014631
O       -2.97494000      -0.86135000      -3.84767000       0.17205675       0.30817258       1.11637162
O       -1.73623000      -2.46863000      -6.59375000      -0.04304487      -0.70090890       0.01434441
O       -1.45171000       1.95352000      -4.14187000      -0.27245857       0.31010091       0.45788848
O       -3.47840000       0.48041000      -6.18382000      -1.02848423       0.93502917      -0.31336434
O       -4.79604000       2.20112000      -4.45356000       0.21120258      -0.89791300       0.35674786
O       -3.20609000       3.16059000      -6.40253000      -0.79918066      -0.19350030      -1.06608641
Zn       0.00348000       1.65805000      -6.42863000       0.29768213      -0.03721049       0.24914712
Zn      -1.38587000      -0.02304000      -4.58769000      -0.23544135       0.89109553       0.84053008
Zn      -2.54045000      -3.85256000      -2.26316000       0.68032520      -0.07610015      -1.07686695
Zn      -3.09763000      -2.21321000      -5.11793000       0.84042618      -1.23077724       0.43226549
Zn      -4.02409000       0.74785000      -3.36341000       0.19359816       0.22645386       0.57369931
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.86764365 magmom=-0.000362 free_energy=-69.86764365 stress="0.028297492530731105 -0.004662034730147525 -0.003461682774543704 -0.004662034730147525 0.005632100639125742 -0.009465649587638772 -0.003461682774543704 -0.009465649587638772 0.023942562256866508" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31397000       1.98430000      -6.08229000      -0.58263738       1.05655766       0.34408050
O       -0.18413000      -0.34542000      -2.19247000      -0.39593216      -0.57856070      -0.36038314
O        0.15664000      -0.17813000      -5.70341000      -0.34146852       1.04315851       0.05199878
O       -2.91415000      -0.91960000      -3.73710000      -0.28785009      -0.26824286      -0.31738402
O       -0.59792000       3.33083000      -6.53032000      -1.12419695       2.26874956       0.71261572
O       -1.54496000       1.77453000      -4.02942000      -0.38793287       2.12703321      -0.30880540
O       -3.52549000       0.59704000      -6.21954000       0.32973630      -1.02823770      -0.73916472
O       -4.78798000       2.07192000      -4.44587000      -0.10978889       0.82307415      -0.73267725
O       -3.29705000       3.25792000      -6.62470000       0.10270156       0.05659245       0.66968435
Zn       0.00901000       1.64391000      -6.41550000       0.71999985      -1.70976143       0.11494155
Zn      -1.38061000      -0.00303000      -4.52872000       0.50856117      -0.66174838       0.00849243
Zn      -2.48865000      -3.81611000      -2.29709000      -0.15361776      -0.79849172      -0.41713913
Zn      -3.10554000      -2.23389000      -5.09744000       0.68716577      -1.32399372      -0.42335870
Zn      -4.04412000       0.78244000      -3.36397000       1.03525997      -1.00612903       1.39709904
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.88890666 magmom=-0.0002305 free_energy=-69.88890666 stress="0.040615546242028906 -0.012846405516592095 0.000857165097886816 -0.012846405516592095 0.03295121755280578 0.007750623544737222 0.000857165097886816 0.007750623544737222 0.019058856148302127" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35109000       2.07941000      -6.13593000      -0.20157796      -3.02853498      -1.81401141
O       -0.29307000      -0.57719000      -2.23571000       0.49816687       1.01873911      -0.12237438
O        0.08025000      -0.02434000      -5.79057000      -0.42561608      -3.01738308       1.83213368
O       -2.90749000      -0.99876000      -3.65047000       0.09661252       0.93349488      -0.59016314
O       -1.77850000      -2.51016000      -6.45860000       1.36025956      -0.45878225      -0.90964798
O       -1.75028000       1.99022000      -4.03879000       0.04628242      -1.31225125      -0.64544098
O       -3.57451000       0.62829000      -6.41918000      -0.39977139       1.86351039       0.41529708
O       -4.79422000       2.08026000      -4.52788000       0.30526476       0.26782418       0.49181523
O       -3.39973000       3.38209000      -6.73691000      -0.26216018      -0.30418179       0.75594269
Zn       0.04586000       1.58761000      -6.40790000      -0.38144159       3.87161987      -1.54963226
Zn      -1.35236000      -0.00173000      -4.45062000      -0.12710755       0.18236719       0.17807134
Zn      -2.43422000      -3.81295000      -2.34755000      -0.70603847      -0.07967132       0.92030156
Zn      -3.07135000      -2.34096000      -5.09462000      -0.25206594       0.26261689       0.63246983
Zn      -1.76894000       3.34398000      -8.12160000       0.44919304      -0.19936785       0.40523875
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.64044509 magmom=-0.0001174 free_energy=-69.64044509 stress="0.011720911056998991 -0.006926464770443866 0.008922925534178412 -0.006926464770443866 0.03393484817101633 -0.00035127277023864063 0.008922925534178412 -0.00035127277023864063 0.04061579265056769" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.44038000       2.07458000      -6.26986000      -0.39850256       0.73848125       1.44729548
O       -0.38366000      -0.65744000      -2.34912000       0.00182212       0.92605741      -0.47176616
O       -0.05731000      -0.25220000      -5.60701000       1.48372719       1.64319237      -1.60904921
O       -2.90128000      -0.91831000      -3.68161000      -0.45069941      -0.26746949      -0.03420512
O       -1.67348000      -2.36150000      -6.45402000      -0.13858658      -1.38816905       0.08098316
O       -1.96064000       1.92293000      -4.13204000       0.89889523      -1.08370583       1.45455996
O       -3.57429000       0.80757000      -6.63310000       1.02235107      -1.13335396      -0.04197572
O       -4.73322000       2.15813000      -4.59896000       0.19132249      -0.89232604      -0.61958242
O       -3.55174000       3.47217000      -6.69934000       0.40617986      -0.22314269      -0.10862754
Zn      -2.16543000      -0.90424000      -1.62645000      -0.72847065      -0.72736986       0.33063611
Zn      -1.32747000       0.00453000      -4.34500000      -0.60690490       0.00157706       0.34152617
Zn      -2.41377000      -3.81680000      -2.36290000      -0.92693730       0.26456176       0.01423088
Zn      -3.04152000      -2.44162000      -5.07188000      -0.19955015       1.38972017       0.07562070
Zn      -1.69781000       3.31545000      -8.00028000      -0.55464640       0.75194689      -0.85964630
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.53440901 magmom=-0.0001803 free_energy=-69.53440901 stress="0.02716674371285396 -0.0033057514017121275 -0.0018145619105016965 -0.0033057514017121275 0.02583404290928473 -0.000762075281931364 -0.0018145619105016965 -0.000762075281931364 0.02712380950129016" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50645000       2.06448000      -6.35507000       2.36744761      -0.09953491      -0.66230552
O       -0.44264000      -0.52795000      -2.54001000       0.98405418       0.14248144       0.84133634
O        0.05222000      -0.16617000      -5.68247000      -0.20352852       1.34464444      -0.56160719
O       -2.99848000      -0.90691000      -3.73912000      -0.18687392      -1.08246839      -0.27464318
O       -1.57701000      -2.49954000      -6.42791000      -1.33956239      -0.00400953       1.46689447
O       -1.99726000       1.69655000      -3.95631000      -0.06725269       2.52678427      -0.83941672
O       -3.46740000       0.88676000      -6.80257000      -0.92117973       0.37086670       0.36532294
O       -4.65564000       2.05533000      -4.71015000      -0.69056445      -0.76635203       0.47518039
O       -3.61644000       3.50592000      -6.67123000       0.40123878      -0.39977401      -0.03952509
Zn      -2.17813000      -0.85541000      -1.66726000      -0.18949218      -2.37710509       0.57458137
Zn      -1.31581000      -0.00393000      -4.24428000       1.16299327      -1.28339394      -1.90229987
Zn      -2.44169000      -3.80264000      -2.37035000      -0.13647773       0.85325782       1.39525196
Zn      -3.03107000      -2.46708000      -5.03766000      -0.21929605       0.16929365       0.57361061
Zn      -1.65928000       3.32557000      -7.92756000      -0.96150618       0.60530959      -1.41238051
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.26571947 magmom=-0.0002961 free_energy=-69.26571947 stress="0.03299816396871493 0.0014309522934214571 -0.007436744086335878 0.0014309522934214571 -0.005591481078738258 0.005816571892895768 -0.007436744086335878 0.005816571892895768 0.021449002397027118" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.44282000       2.07212000      -6.42905000       1.98404535      -1.60833838       1.14405480
O       -0.34419000      -0.33588000      -2.60637000      -0.40040791      -0.08626623       0.67174956
O        0.15964000       0.10686000      -5.86511000      -0.56354583      -4.07167049       2.40903657
O       -3.13219000      -1.05130000      -3.81135000       1.10228517       2.15139005       1.12482495
O       -1.71818000      -2.66222000      -6.17799000       1.38062819       0.90639512      -2.44967778
O       -2.01489000       1.87449000      -3.92157000      -0.05459108      -1.63290763       0.26445681
O       -3.43102000       0.90409000      -6.95816000      -0.93378645       0.48195988       0.22569531
O       -4.71613000       1.77252000      -4.77914000      -0.18395473       0.21457730      -0.76888751
O       -3.56786000       3.48795000      -6.65220000       0.63569990       0.36598894       0.15323923
Zn      -2.20868000      -0.90718000      -1.68625000      -0.21824958       2.57994008      -1.34037174
Zn      -1.25909000      -0.06300000      -4.23549000      -0.52187066       0.54228026      -1.81368179
Zn      -2.48177000      -3.74128000      -2.30382000      -0.41365911       0.01857508       0.82957188
Zn      -3.04215000      -2.48147000      -4.97046000      -1.66847454       0.11418375       0.58622768
Zn      -1.66968000       3.37050000      -7.93300000      -0.14411872       0.02389227      -1.03623798
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.32019889 magmom=-0.0003361 free_energy=-70.32019889 stress="0.0422603632651884 0.0027043204499117854 -0.000520090874615264 0.0027043204499117854 0.030230973808502603 -0.011438048054183666 -0.000520090874615264 -0.011438048054183666 0.029565153838250292" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29601000       2.03711000      -6.43709000      -2.15157118       1.12132728      -0.33353002
O       -0.29690000      -0.18380000      -2.50542000       0.63765239      -0.37935265       0.44521985
O        0.13546000      -0.11881000      -5.62447000       0.27661681       1.61077470      -0.18515109
O       -3.02885000      -0.85057000      -3.70087000       0.94985451      -0.97683041      -0.38434103
O       -1.68257000      -2.59240000      -6.30679000      -0.49580064       0.69354051       0.52614189
O       -2.04385000       1.79968000      -3.86868000       0.09602329       0.36415508       0.00208441
O       -3.46533000       0.87047000      -7.11418000       0.64689063      -0.87986960      -0.54644259
O       -4.81291000       1.52509000      -4.93909000       0.69295050       0.41260104       0.57440578
O       -4.44940000      -2.49499000      -6.66176000       0.09582858      -0.83797637       0.61348569
Zn      -2.23783000      -0.90572000      -1.74758000       0.55709392      -0.88323308       0.42248827
Zn      -1.22201000      -0.10024000      -4.32236000      -0.60207442       0.52755852       0.37678937
Zn      -2.54747000      -3.69246000      -2.20414000      -0.72330354      -1.60038020      -0.73043594
Zn      -3.12279000      -2.48457000      -4.88130000       0.17590009       0.39033613      -0.36751830
Zn      -1.69317000       3.42137000      -7.99709000      -0.15606095       0.43734905      -0.41319629
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00182512 magmom=0.0004136 free_energy=-70.00182512 stress="0.01875517719450672 -0.013844159440377224 -0.006526204429808142 -0.013844159440377224 0.04989321377694641 0.00819593704559442 -0.006526204429808142 0.00819593704559442 0.031030427622377652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25015000       2.01661000      -6.45929000       0.53249872      -2.33436221       0.14064931
O       -0.20106000      -0.10710000      -2.35791000      -0.93727376       0.23290047      -0.97779318
O        0.20694000      -0.10001000      -5.50180000       0.18102221       1.12809644      -1.87913684
O       -2.79558000      -0.82977000      -3.65677000      -0.97853151      -1.35784743      -0.37532940
O       -1.70671000      -2.44387000      -6.35475000      -0.59093616      -1.10028929       0.89029450
O       -2.04188000       1.78369000      -3.83532000       0.18530221       0.95204830      -0.61844104
O       -3.46364000       0.79496000      -7.28832000      -0.79462189       1.46264993       0.79177254
O       -4.75567000       1.40868000      -4.96767000       0.70892016       0.40820044       0.16659200
O       -4.28792000      -2.60947000      -6.49975000      -0.60740526      -0.20737038      -0.17662234
Zn      -2.23939000      -0.92286000      -1.77906000       0.42111991       0.06514498       1.23109330
Zn      -1.23427000      -0.10053000      -4.37870000       0.09638834       0.88273240       0.48752484
Zn      -2.63036000      -3.71828000      -2.14524000       0.30511814      -0.36814664       0.38939434
Zn      -3.18610000      -2.46931000      -4.82409000       0.89712478       0.13582853      -0.26268788
Zn      -1.71614000       3.47974000      -8.07111000       0.58127412       0.10041445       0.19268986
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.74726479 magmom=-0.0003692 free_energy=-69.74726479 stress="0.03153727154299018 -0.0104161871814526 -0.010016939781574424 -0.0104161871814526 0.00011235768120877577 0.014065550531343767 -0.010016939781574424 0.014065550531343767 0.010410194009491816" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24282000       1.92091000      -6.46344000      -2.22920374       1.26574724      -0.97651689
O       -0.23554000      -0.02708000      -2.39625000       0.61126953      -0.47498570       0.17570788
O        0.30409000       0.12209000      -5.75882000      -1.08677581      -2.51721707       1.71597488
O       -2.74310000      -1.06646000      -3.68937000       0.10821299       2.05175485       0.68754581
O       -1.81824000      -2.50406000      -6.24494000       0.84859769      -0.29135476      -1.33191849
O       -2.00374000       1.91079000      -3.89224000      -0.07876653      -1.79127738       1.04761377
O       -3.51658000       0.85199000      -7.39744000       0.41120326      -0.95929321      -0.49608928
O       -4.56719000       1.38045000      -4.94022000      -0.88256988      -0.34862924      -0.06664890
O       -3.21612000       3.23225000      -6.32526000      -0.47637884       0.60440223      -0.81271613
Zn      -2.21670000      -0.92520000      -1.75091000      -0.15587208       2.86272963      -0.77637620
Zn      -1.24559000      -0.04912000      -4.39449000       0.92327338       0.90227452       0.18109336
Zn      -2.69533000      -3.77406000      -2.07603000       0.29732758      -0.56511497      -0.09127371
Zn      -3.19774000      -2.44379000      -4.79328000       0.21939501      -0.12625624      -1.11288241
Zn      -1.70200000       3.53807000      -8.11814000       1.49028742      -0.61277989       1.85648631
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.12750203 magmom=-0.0003064 free_energy=-70.12750203 stress="0.005946766764854294 -0.004410108559986298 -0.014286850471311034 -0.004410108559986298 0.011033862834156768 -0.0017767025451779707 -0.014286850471311034 -0.0017767025451779707 0.02045128543545903" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35349000       1.84031000      -6.54192000       2.54764388      -0.10332771       0.51594097
O       -0.21949000      -0.02524000      -2.44352000      -1.41951002      -0.15376919      -0.22064772
O        0.14073000      -0.02877000      -5.75433000       0.09818784       1.44433343       0.61255604
O       -2.71588000      -0.96530000      -3.62065000      -0.23201674      -0.16784570      -1.17282011
O       -1.81107000      -2.65224000      -6.35711000      -1.17360293       1.74640841       1.31708696
O       -1.97806000       1.75000000      -3.78047000      -0.19370526       1.52598674      -0.58976604
O       -3.56738000       0.80137000      -7.55755000      -0.81616269       0.35588811       0.84170948
O       -4.52548000       1.28327000      -4.95226000      -0.87091580      -0.05796154      -1.10135568
O       -3.32380000       3.18658000      -6.38104000      -0.13390343       0.01891550      -0.12128215
Zn      -2.18540000      -0.79831000      -1.73682000       1.05268628      -2.80651420       0.14541232
Zn      -1.19816000       0.07313000      -4.40455000       0.10722042      -0.17298903       0.40640252
Zn      -2.75376000      -3.87814000      -1.99710000       0.60841584      -0.22975468      -0.70329036
Zn      -3.18752000      -2.42401000      -4.81305000       0.38946525      -0.52437879       0.03456195
Zn      -3.83289000       0.99866000      -3.23279000       0.03619737      -0.87499135       0.03549182
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.82387431 magmom=-0.0002271 free_energy=-69.82387431 stress="-0.011422572300962639 -0.012466815774671925 0.011375326461136188 -0.012466815774671925 0.02853881806561935 0.0003563195983442477 0.011375326461136188 0.0003563195983442477 0.004772778425752947" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39088000       1.78626000      -6.61598000      -0.11936465       0.22521433      -0.46968935
O       -0.40032000      -0.10216000      -2.48454000       0.61565317      -0.14354000       0.75807187
O        0.01929000      -0.06969000      -5.65885000       1.64706462       1.25793257      -1.96343827
O       -2.73654000      -0.81027000      -3.71678000      -0.60418072      -0.62368113      -0.03036204
O       -1.97586000      -2.55678000      -6.24724000       1.08984681      -0.64973658      -0.15947500
O       -1.99652000       1.84910000      -3.75064000      -0.27476612       1.42779290      -0.44798720
O       -3.72300000       0.70980000      -7.65748000      -0.23440542       0.48063923       0.63819749
O       -4.66252000       1.12809000      -5.12168000       0.27256843       0.05350166       0.52401578
O       -3.45465000       3.17370000      -6.47858000       0.25306525      -0.27484923       0.10922028
Zn      -2.10494000      -0.74994000      -1.72765000      -0.31033833      -2.26282425      -0.07721105
Zn      -1.14788000       0.21477000      -4.37690000      -1.30344985      -0.25623073       1.36156106
Zn      -2.77701000      -4.00139000      -1.93483000       1.42257065       1.18018205       0.10891787
Zn      -3.16130000      -2.42883000      -4.84277000      -0.86005183       0.51481141       1.62992639
Zn      -3.70938000       0.98653000      -3.17748000      -1.59421200      -0.92921223      -1.98174784
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.62456547 magmom=7.56e-05 free_energy=-69.62456547 stress="-0.002303509583205123 -0.009057312091318716 0.002033516971663952 -0.009057312091318716 -0.003647907673925284 0.022125392668818054 0.002033516971663952 0.022125392668818054 0.018400891385669634" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43416000       1.75417000      -6.67014000       0.08927686       0.44559591       1.72228387
O       -0.46657000      -0.16262000      -2.42990000       0.48256572       1.27391350      -0.89928416
O        0.15453000       0.13390000      -5.83706000      -1.24671652      -2.39379147       1.81021308
O       -2.85242000      -0.76607000      -3.83198000       0.69476932       0.50456524       0.38356031
O       -1.90636000      -2.53206000      -6.20611000       0.26664752      -1.15159436      -0.50470425
O       -3.12990000      -3.88953000      -3.82291000       0.07722658      -2.66437017       1.20887836
O       -3.86896000       0.66216000      -7.68738000       0.54443483      -0.42063075      -0.69125466
O       -4.73212000       1.01529000      -5.20423000       0.62135092       0.65732066       0.11331259
O       -3.48901000       3.14297000      -6.54346000       0.40409283      -0.53173479       0.06523749
Zn      -2.04762000      -0.83356000      -1.72262000      -1.65079962       0.68369224      -0.76633154
Zn      -1.15274000       0.32420000      -4.30215000       0.11863528      -0.29569654      -0.82258217
Zn      -2.72844000      -4.05091000      -1.87959000       1.52861522       2.23648907       0.23060764
Zn      -3.18809000      -2.39321000      -4.79605000      -0.53988076       1.94051461      -0.80892746
Zn      -3.67662000       0.92933000      -3.22418000      -1.39021817      -0.28427314      -1.04100911
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.01870606 magmom=-0.0002333 free_energy=-70.01870606 stress="0.009906376059884646 -0.004492347526832668 -0.004293103544705026 -0.004492347526832668 0.004771835433588173 -0.001568754185630918 -0.004293103544705026 -0.001568754185630918 0.02897036589313337" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.46446000       1.73420000      -6.66311000       1.30699032      -0.37147265      -1.62765301
O       -0.40799000       0.00000000      -2.49422000       0.31761088      -0.36981495       0.89747871
O        0.08167000      -0.00911000      -5.68733000       0.38268152       1.84447568       0.94631718
O       -2.82078000      -0.69983000      -3.87177000       0.68494423      -1.28084978      -0.00042592
O       -0.66897000       3.26450000      -6.25032000      -1.55208882       1.18045065       1.33884510
O       -3.17936000      -4.02349000      -3.68908000       0.19297017       1.49312308      -1.20276543
O       -3.93388000       0.60803000      -7.77479000      -0.49463351       1.27106933       1.33230588
O       -4.68297000       1.02476000      -5.18718000      -0.14941954       0.26220161       0.40651841
O       -3.40400000       3.04061000      -6.56966000       0.35173846      -0.34545106       0.31848740
Zn      -2.07330000      -0.90614000      -1.75366000       0.06386410      -1.46835953      -0.37051921
Zn      -1.15535000       0.40605000      -4.27302000       0.11175965      -0.31300780      -0.86686400
Zn      -2.60760000      -3.98946000      -1.81623000      -0.45228237      -1.10318713      -0.71063624
Zn      -3.25394000      -2.28408000      -4.75868000       0.61792988      -1.29203588      -0.77100730
Zn      -3.73073000       0.86463000      -3.32061000      -1.38206498       0.49285842       0.30991845
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9074467 magmom=-0.0003326 free_energy=-69.9074467 stress="0.0143417824487581 0.0009515847255583671 0.008473939167344015 0.0009515847255583671 0.026938648860354162 -0.009666830335014212 0.008473939167344015 -0.009666830335014212 0.03776916409489527" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43490000       1.73663000      -6.67922000       0.42886630       1.27477237       1.79171436
O       -0.31146000       0.12622000      -2.40939000      -0.76899107      -0.00511934       0.48548837
O        0.10695000       0.01273000      -5.41793000       1.61078000       0.01351135      -2.43013123
O       -2.64675000      -0.80690000      -3.85094000      -0.26856108       0.79289055       1.25914859
O       -0.79309000       3.22530000      -6.11991000       0.90425230       0.76021219      -0.71771808
O       -3.19528000      -3.93536000      -3.74118000      -0.17939726      -0.06231593       0.74432037
O       -4.01796000       0.64720000      -7.75790000       0.26975942      -0.94926219      -0.74593092
O       -4.65691000       1.10254000      -5.12796000      -0.37616899       0.01879990      -0.66154884
O       -3.22540000       2.88500000      -6.54112000      -0.18790146       0.21844166      -0.33910646
Zn      -2.10928000      -1.01708000      -1.81072000      -0.31304395       0.39062470       0.02278353
Zn      -1.16814000       0.47625000      -4.27410000      -1.24503753       0.54072206       0.97494369
Zn      -2.50056000      -3.95729000      -1.78555000      -1.34649003      -1.10988028      -0.37328411
Zn      -3.28684000      -2.24705000      -4.77601000       0.78149833      -1.86875522      -1.23132300
Zn      -3.84724000       0.82170000      -3.39954000       0.69043502      -0.01464181       1.22064371
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.61870297 magmom=-0.0002036 free_energy=-69.61870297 stress="0.04021887915692148 -0.01236619190592548 -0.008606113302985979 -0.01236619190592548 0.04376701676309968 0.023258705685889388 -0.008606113302985979 0.023258705685889388 0.035437622933013405" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38187000       1.78897000      -6.64596000      -1.32851428      -0.54761884      -0.85406966
O       -0.32566000       0.22682000      -2.20016000       0.73338162      -0.27751738      -0.49891552
O        0.38611000       0.10745000      -5.53019000      -1.44406161      -0.89138394       0.82008056
O       -2.55320000      -0.79626000      -3.63709000      -1.37102205       0.16048544      -2.00730524
O       -1.81727000      -2.60697000      -6.18190000       0.69524890       0.00167612      -0.48463031
O       -3.25060000      -3.83554000      -3.66755000      -0.11443097      -0.64561438      -0.03900049
O       -4.09037000       0.61285000      -7.76721000      -0.31434882       1.02617831       1.02529183
O       -4.70152000       1.16851000      -5.13126000       0.33201642      -0.31394606       0.16339200
O       -3.06231000       2.81020000      -6.57182000      -0.27922226       0.49596971      -0.40748839
Zn      -2.15606000      -1.11680000      -1.86820000       0.04536725       1.51103305       0.69207319
Zn      -1.22177000       0.56657000      -4.24345000       1.21738851      -0.33830596      -0.37641088
Zn      -2.46887000      -3.99629000      -1.77987000      -0.78379638      -0.22810235       0.55008812
Zn      -3.26916000      -2.30635000      -4.85663000       1.52297459      -0.16437132      -0.04715899
Zn      -3.93358000       0.78073000      -3.40997000       1.08901908       0.21151759       1.46405379
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.51503464 magmom=-0.0004108 free_energy=-69.51503464 stress="0.01391458286219926 -0.005124152726620538 -0.004112568336386001 -0.005124152726620538 0.031898860185889444 0.01609610616282936 -0.004112568336386001 0.01609610616282936 0.03727110765115466" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39923000       1.85795000      -6.60821000       1.30785697      -1.33977504      -0.00202263
O       -0.23612000       0.29449000      -2.08964000      -1.20839801       0.70981933      -1.28279444
O        0.39892000       0.04659000      -5.54528000      -1.53828066       0.41867502       0.48164941
O       -2.73861000      -0.74594000      -3.76490000       0.49879450      -0.51975338      -0.23928318
O       -1.66128000      -2.48086000      -6.26029000      -2.01398593      -2.57712646       0.94621300
O       -3.33567000      -3.85667000      -3.60943000       0.53027752       0.18149789      -1.17445333
O       -4.23190000       0.65472000      -7.68413000      -0.27991126       0.54402707       0.23204686
O       -4.67157000       1.18031000      -5.11742000       0.45003166       0.17120484       0.18653600
O       -2.96776000       2.83625000      -6.70011000      -1.19820604      -0.12461995       0.53882765
Zn      -2.21312000      -1.14185000      -1.90386000      -0.08018362       1.17020145      -0.24640873
Zn      -1.22300000       0.65324000      -4.22582000       0.68070671      -0.92708418      -0.52744599
Zn      -2.46994000      -4.04762000      -1.74437000       1.21848585       1.61317500       0.29190214
Zn      -3.15412000      -2.39651000      -4.96258000       0.95073149       0.03131981       0.35708506
Zn      -3.96831000       0.74658000      -3.33096000       0.68208082       0.64843861       0.43814817
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.63693166 magmom=-0.0001987 free_energy=-69.63693166 stress="-0.004564123739584155 0.003954469293676514 0.023815596055163712 0.003954469293676514 0.018344528554738476 -0.010059303325717334 0.023815596055163712 -0.010059303325717334 0.02644256102604091" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40797000       1.90112000      -6.55294000      -2.86832183       0.19321724       0.51575058
O       -0.27701000       0.45197000      -2.22557000       0.61051276      -1.04010887       0.16182312
O        0.05427000       0.04478000      -5.43456000       0.42226909       0.42043346      -1.37421682
O       -2.90301000      -0.77469000      -4.04493000       1.04435663      -0.34362177       1.35821073
O       -0.63232000       3.19434000      -6.19211000       1.79257089       0.31106881      -1.42707123
O       -3.34068000      -3.87089000      -3.75162000       0.22882154      -0.23443703       1.18945699
O       -4.43706000       0.72777000      -7.61140000       0.26939125      -0.90049902      -0.84366558
O       -4.53154000       1.22523000      -5.03855000      -0.46580869       0.79512939      -0.57333412
O       -3.09313000       2.87997000      -6.74216000       0.72182446       0.86146184       0.24054399
Zn      -2.28629000      -1.10053000      -1.95250000       0.17990135      -0.48353924      -0.77834176
Zn      -1.18149000       0.70441000      -4.23259000      -0.69124502      -0.87890173       0.34777279
Zn      -2.43704000      -4.04748000      -1.68105000      -0.78232309      -0.18977573      -0.19314481
Zn      -2.96744000      -2.50201000      -5.05546000      -1.54035877       1.22919042       2.31253111
Zn      -1.72002000       3.31252000      -8.04308000       1.07840942       0.26038224      -0.93631497
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.77492486 magmom=-0.0001849 free_energy=-69.77492486 stress="0.005891231957489815 0.021861814212786695 0.01206518030474559 0.021861814212786695 0.0014439506980477841 0.005178573892719232 0.01206518030474559 0.005178573892719232 0.025849163433255364" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52386000       1.93704000      -6.53062000       1.82382229      -0.59997652      -2.36332278
O       -0.25610000       0.44511000      -2.31531000      -0.72403423       0.36725129       0.35404957
O       -0.13644000       0.10058000      -5.61567000       0.69439354       0.33075256       0.23233205
O       -2.83168000      -0.86239000      -4.02776000       0.69824340       0.34854380       1.08519347
O       -0.48050000       3.11952000      -6.29308000      -0.71159233       1.62518339       1.08359911
O       -3.29577000      -3.90319000      -3.67897000       0.05479104       0.48814144       0.48985882
O       -4.56220000       0.69845000      -7.62968000       0.43323678       1.14001120       1.36733448
O       -4.50782000       1.37623000      -4.99430000      -0.81826974       0.06391803       0.40457142
O       -3.14550000       3.01839000      -6.69785000      -0.49645574      -0.86670603       0.24281991
Zn      -2.32933000      -1.12308000      -2.04578000       0.37731262      -1.46455773      -1.74431300
Zn      -1.18252000       0.70344000      -4.21805000      -0.39777520      -1.21614427      -0.07036158
Zn      -2.44166000      -4.05301000      -1.64012000      -0.41011193      -0.88528464      -0.87323231
Zn      -2.86942000      -2.53974000      -5.04101000      -0.84973730       0.44651289       0.93586630
Zn      -1.66360000       3.32278000      -7.98567000       0.32617679       0.22235459      -1.14439547
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.76490085 magmom=-0.0003704 free_energy=-69.76490085 stress="-0.002935388657495008 0.0021362784449388468 0.008580814044793232 0.0021362784449388468 0.0013626265429524862 0.011441907659872401 0.008580814044793232 0.011441907659872401 -0.007171129437816348" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.54781000       1.97104000      -6.57333000      -0.04523986       1.07686004       1.88624478
O       -0.34750000       0.47018000      -2.32611000       0.70485960      -0.73201713       0.07664138
O       -0.11779000       0.16949000      -5.71991000       0.08150106      -0.14462805       1.76071549
O       -2.63995000      -0.85161000      -3.86038000      -0.70900133       1.21886018      -3.07528134
O       -1.60285000      -2.67311000      -6.26036000      -0.83241025      -1.94653290      -0.70573144
O       -3.24390000      -3.84131000      -3.53942000      -0.08091688       0.19377938      -1.09649971
O       -4.57051000       0.71192000      -7.54593000       0.47430924      -0.69561582      -0.47441750
O       -4.65206000       1.54268000      -4.94584000      -0.17703184      -0.16367899      -0.64454821
O       -3.20004000       3.01344000      -6.64175000       0.62358143      -0.31950489      -0.64234846
Zn      -2.33839000      -1.21677000      -2.20454000       0.56818925       0.06156800       2.48977428
Zn      -1.21290000       0.64737000      -4.20261000       0.35477583      -0.46750062      -0.68599458
Zn      -2.45660000      -4.08586000      -1.64546000       0.62792399       1.03422906      -0.10409025
Zn      -2.83854000      -2.54467000      -4.96679000      -1.38908261       0.05249566       1.69362097
Zn      -1.59793000       3.34721000      -7.99575000      -0.20145762       0.83168609      -0.47808538
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.81847284 magmom=-0.0002567 free_energy=-69.81847284 stress="-0.0054088632411031625 0.0015690480421220738 0.009277676135717084 0.0015690480421220738 0.021275047262254994 0.017639267396055616 0.009277676135717084 0.017639267396055616 0.022834222004645546" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.54994000       2.02397000      -6.54341000       1.20891804      -1.07809132      -0.25426746
O       -0.37445000       0.41166000      -2.32811000      -0.41117334       0.42925310      -0.37982890
O       -0.02599000       0.21353000      -5.54187000       0.94209543      -0.93668032      -2.08608592
O       -2.59792000      -0.65039000      -4.11846000      -1.70709317      -1.70325878       1.12537969
O       -0.70641000       3.16554000      -6.24522000       1.22377892       0.10646385      -0.15754294
O       -3.21821000      -3.76182000      -3.56253000      -0.31993208      -1.48550463       1.21206891
O       -4.47307000       0.68028000      -7.47012000       0.02734083       0.62823731       0.58562867
O       -4.83664000       1.66389000      -4.95352000       0.61082124      -0.35217594       0.62665500
O       -3.12549000       2.94335000      -6.70656000      -0.87923851      -0.19918364      -0.05060764
Zn      -2.32515000      -1.29729000      -2.27086000      -0.09970922       0.78610397       0.89328135
Zn      -1.22499000       0.57061000      -4.21846000       0.96638512       1.45757974       0.15780899
Zn      -2.45402000      -4.07923000      -1.65903000      -0.80508605       0.23220433       0.56955758
Zn      -2.88191000      -2.53618000      -4.81347000       0.09712743       1.36172550      -1.77210913
Zn      -3.78322000       0.84529000      -3.20187000      -0.85423463       0.75332684      -0.46993819
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.40065979 magmom=-0.0001429 free_energy=-69.40065979 stress="0.017868511198038325 -0.005863816422005301 -0.009692191321732213 -0.005863816422005301 0.012799605176962523 0.0039630308903331616 -0.009692191321732213 0.0039630308903331616 0.049085092448004845" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52007000       2.03792000      -6.49060000      -1.21170428      -1.62530592      -0.46824766
O       -0.40702000       0.37221000      -2.39995000       0.97638176      -0.47801836       0.22439774
O        0.22199000       0.07550000      -5.67609000      -0.70801178       0.43052960       0.99630259
O       -2.85912000      -0.68065000      -4.27837000       0.86676212       0.50748726       1.35698429
O       -0.64281000       2.96287000      -6.34948000      -0.39612908       0.92585763       1.37861629
O       -3.24462000      -3.90850000      -3.46362000       0.42526251       0.92131049      -1.61773627
O       -4.33645000       0.65811000      -7.33499000      -0.33988842       0.46805141       0.57991461
O       -4.88539000       1.72283000      -4.86305000       0.94532718       0.15745762      -0.28870109
O       -3.14644000       2.88512000      -6.79743000       0.37910233       1.04540119       0.43091705
Zn      -2.31211000      -1.34280000      -2.27228000      -0.11083510       1.47791277      -0.03111917
Zn      -1.18665000       0.54511000      -4.24084000       0.78895624      -0.30993632      -0.90861947
Zn      -2.49144000      -4.06336000      -1.64311000      -0.56150148      -2.01233629       0.09970315
Zn      -2.94041000      -2.47235000      -4.71553000       0.29246025      -1.14659242      -1.72600559
Zn      -3.77670000       0.96708000      -3.27603000      -1.34618224      -0.36181865      -0.02640645
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.77198277 magmom=-5.78e-05 free_energy=-69.77198277 stress="0.03400261365866012 0.009558603253337399 -0.014764658816571843 0.009558603253337399 0.024991633625265793 -0.00021547909607345085 -0.014764658816571843 -0.00021547909607345085 0.03804055555346174" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52034000       1.98796000      -6.44362000       2.23071587       1.96882026      -0.51249343
O       -0.30615000       0.26120000      -2.45596000      -0.97202078      -0.04616865      -0.07390183
O        0.35531000      -0.01048000      -5.68990000      -1.36981900       0.46040885      -0.00572822
O       -3.01261000      -0.66427000      -4.11189000       1.46793843      -0.05728246       0.91491315
O       -0.59705000       2.95534000      -6.14773000      -0.18993689       1.03874365       0.33970541
O       -3.18121000      -3.95201000      -3.62171000       0.31289017      -0.35616339       0.30741042
O       -4.23913000       0.59467000      -7.12992000       0.11959184      -1.24875570      -0.48570016
O       -4.74527000       1.82623000      -4.79710000      -0.82212235       0.64778748      -0.67362245
O       -3.17682000       3.01543000      -6.79743000      -0.89152331      -0.59908991       0.65940560
Zn      -2.30545000      -1.30714000      -2.26743000      -0.18874818       0.94431689       0.52388481
Zn      -1.08744000       0.51088000      -4.31720000       0.36300349      -0.12213087      -0.53627130
Zn      -2.57563000      -4.15709000      -1.61824000      -0.27316417      -1.10465112      -0.20242876
Zn      -2.98820000      -2.44793000      -4.72364000       0.29933260      -0.17923002      -1.84842883
Zn      -3.84750000       1.08970000      -3.35928000      -0.08613771      -1.34660503       1.59325559
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.62908909 magmom=-0.000154 free_energy=-69.62908909 stress="0.01340495137750546 -0.009338821104834836 0.005086509117784277 -0.009338821104834836 0.048152625976702806 0.017452718206584384 0.005086509117784277 0.017452718206584384 0.00853667713186993" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43605000       1.98589000      -6.45290000      -1.01137463      -1.28152313      -0.79625108
O       -0.33132000       0.10707000      -2.49511000       0.29449215      -0.49768936       0.62133023
O        0.23248000       0.00469000      -5.70531000      -0.03393251      -0.59773273      -1.51166805
O       -2.89847000      -0.62244000      -3.79044000      -0.56509497      -0.21633600      -2.33748429
O       -1.67345000      -2.89230000      -5.94786000      -0.07145420      -1.50859137      -1.09199059
O       -3.06750000      -4.03340000      -3.75606000      -0.77400758      -0.13365875       1.04466171
O       -4.13482000       0.42637000      -6.94098000       0.13425186       1.90574580       0.40381132
O       -4.73355000       2.05537000      -4.81667000      -0.60696637       0.00099929       0.02676171
O       -3.25354000       3.12765000      -6.70284000       1.19500116       0.30844641      -0.67756799
Zn      -2.30359000      -1.22383000      -2.22678000       0.61508528      -0.42284999       2.51259409
Zn      -0.97170000       0.47159000      -4.41960000      -1.08067607       0.57242070       1.06839128
Zn      -2.66718000      -4.30645000      -1.60692000       1.82647040       1.92095113      -0.91086580
Zn      -3.02628000      -2.43694000      -4.81762000      -0.80504152       1.00460852       0.87393187
Zn      -3.92863000       1.14801000      -3.37087000       0.88324699      -1.05479051       0.77434560
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.10646863 magmom=-6.12e-05 free_energy=-70.10646863 stress="0.036375003631559676 -0.003851247808696024 -0.009312333400889432 -0.003851247808696024 0.03208876494797995 0.002489985921781839 -0.009312333400889432 0.002489985921781839 0.030904870510016624" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40487000       1.99048000      -6.47308000       0.40933188       1.72375571       1.29847162
O       -0.34532000      -0.07700000      -2.46078000      -0.15622220       0.07260869      -0.78300151
O        0.10419000      -0.09729000      -5.92367000       0.25433842      -0.09982132       1.27037381
O       -2.87195000      -0.67129000      -3.90934000      -0.04813166      -0.41719032      -0.24625570
O       -0.60199000       2.98141000      -5.86731000       0.29844548      -0.42293207      -0.27032708
O       -2.05271000       1.88837000      -3.59511000      -0.34448677       0.53604151      -0.18060892
O       -3.99973000       0.47124000      -6.78969000       0.31696655      -0.02619979      -0.20484535
O       -4.82518000       2.21018000      -4.85425000       0.51086070      -0.78605601      -0.00883254
O       -3.16095000       3.20487000      -6.74440000      -0.52517384      -0.79688940      -0.39806600
Zn      -2.28436000      -1.16193000      -2.10786000      -0.19935302       0.88152991      -1.01934020
Zn      -0.93440000       0.46682000      -4.44896000      -1.21177488       0.21912951       0.77492323
Zn      -2.66166000      -4.34195000      -1.64060000       0.25878380       0.01934068      -0.84242768
Zn      -3.08642000      -2.38377000      -4.85720000      -0.10010922      -0.09296664       0.71735852
Zn      -3.95005000       1.13729000      -3.33885000       0.53652476      -0.81035047      -0.10742221
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.82472155 magmom=-8.35e-05 free_energy=-69.82472155 stress="0.04121691049706272 -0.008409487159581952 -0.005666447045936074 -0.008409487159581952 0.014384012518228354 -0.016341139996742114 -0.005666447045936074 -0.016341139996742114 0.031242779042054542" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36813000       2.06966000      -6.43535000      -0.87628576      -0.93993186      -0.42393916
O       -0.35284000      -0.23884000      -2.56223000       0.74919570       0.49919687       0.25517140
O        0.06238000      -0.15469000      -5.90224000       0.20726840       0.66367454       0.73254007
O       -2.88042000      -0.73145000      -4.11117000       0.34330153       1.45335544       1.57058379
O       -0.57337000       2.83489000      -5.87269000      -0.74345247       2.39675385       1.33059846
O       -3.24906000      -4.08437000      -3.62149000       0.39989221       0.15019624      -0.66463292
O       -3.81452000       0.58046000      -6.68422000      -0.09828605       0.27262568      -0.07608130
O       -4.82175000       2.20190000      -4.83284000       0.41724985      -0.02235419       0.05807372
O       -3.13667000       3.15846000      -6.87517000      -0.20489227       0.56501489       0.20470154
Zn      -2.26254000      -1.09651000      -2.04270000       0.52348308      -1.89966285      -2.33026829
Zn      -0.97363000       0.47587000      -4.42768000      -1.16215718      -0.11778663       0.29017959
Zn      -2.63479000      -4.37186000      -1.72258000      -0.37260231      -0.35725546      -0.09707512
Zn      -3.15153000      -2.35062000      -4.85541000       0.54819893      -1.87037296      -0.30142243
Zn      -3.93620000       1.07907000      -3.31486000       0.26908633      -0.79345357      -0.54842935
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.55085849 magmom=-0.0001522 free_energy=-69.55085849 stress="0.024522660466972657 -0.00909971588695398 0.001819222208188647 -0.00909971588695398 0.046869326131163076 0.000716038647116926 0.001819222208188647 0.000716038647116926 0.04049493805970284" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36408000       2.12458000      -6.40478000       1.75705393      -1.96033158      -0.83109994
O       -0.25228000      -0.30488000      -2.65532000      -0.33157067       0.40580107       0.99621950
O        0.08773000      -0.05474000      -5.70515000       0.05038720      -0.35140780      -1.50255779
O       -2.83218000      -0.56685000      -4.00296000      -0.25950263      -1.44500107       0.72954517
O       -1.67845000      -2.90760000      -5.74685000       1.56051560      -1.02613801      -1.78895772
O       -3.31455000      -3.99124000      -3.70271000       0.72454578      -0.18702673       0.68411074
O       -3.57119000       0.70383000      -6.58961000      -1.07164119       0.85054967      -0.12566922
O       -4.71692000       2.18315000      -4.77170000      -0.25560546       0.59966756      -0.53206585
O       -3.18725000       3.22941000      -6.99485000      -0.85469350       0.49673198       1.05669097
Zn      -2.21609000      -1.10024000      -2.08824000      -0.31151169      -0.41737503       0.38878138
Zn      -1.10578000       0.48477000      -4.37952000      -0.54211208       0.09829075      -0.42843370
Zn      -2.62589000      -4.42785000      -1.83465000      -0.02832084       1.98579353       0.80432189
Zn      -3.20312000      -2.39785000      -4.85594000      -0.16380602       0.86447913       0.91735815
Zn      -3.90040000       0.95438000      -3.31830000      -0.27373842       0.08596652      -0.36824358
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.09071503 magmom=-0.000135 free_energy=-69.09071503 stress="0.026863290458270055 -0.0033558386511190817 -0.008893831457161655 -0.0033558386511190817 0.015772950660946257 0.014810260543030388 -0.008893831457161655 0.014810260543030388 0.019177386869281672" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28858000       2.11665000      -6.41001000      -0.71292940       2.28300999       0.40724755
O       -0.21308000      -0.28619000      -2.57073000      -0.27509549      -0.06846702       0.23065180
O        0.10043000      -0.00288000      -5.75140000      -0.98304424      -0.35685864       0.20483790
O       -2.82332000      -0.66569000      -3.73952000      -0.82440171      -0.96827565      -2.43070147
O       -1.52228000      -2.77661000      -5.80226000      -1.76640709      -1.57142345       0.18310998
O       -3.23815000      -3.93155000      -3.67763000      -0.30448178      -0.70903365      -0.10654622
O       -3.39944000       0.81877000      -6.54523000       0.68423638      -1.57969177      -0.58930180
O       -4.63234000       2.28136000      -4.77256000      -0.00249795      -0.30402033      -0.33003502
O       -3.35717000       3.47005000      -6.93387000       0.68415877      -0.40731311       0.37469585
Zn      -2.16918000      -1.14236000      -2.12161000       0.54890741      -0.78257112       2.81226372
Zn      -1.28971000       0.49670000      -4.35258000       1.85791686      -0.62127474      -1.87060718
Zn      -2.60699000      -4.37687000      -1.92776000       1.28991608       2.58842873       1.21876460
Zn      -3.25234000      -2.42472000      -4.82330000       1.32940878       0.69247999      -0.61396007
Zn      -3.88602000       0.81598000      -3.33925000      -1.52568662       1.80501076       0.50958037
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.48632758 magmom=-0.0002267 free_energy=-69.48632758 stress="0.059053654635627555 -0.01884749899478748 -0.008121385820436509 -0.01884749899478748 0.03231225932141626 -0.003634036150828846 -0.008121385820436509 -0.003634036150828846 0.024879627628130226" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20085000       2.18052000      -6.40971000      -0.54627979      -1.04918322      -0.04775136
O       -0.24905000      -0.26443000      -2.43496000       0.64234612      -0.10350532       0.01275833
O       -0.07954000      -0.06845000      -5.75341000      -0.12286740      -0.38446544       1.06520381
O       -2.95888000      -0.94417000      -3.84903000       0.32492188       2.84150603       1.15306441
O       -0.54695000       3.06170000      -5.86698000      -0.19007177       0.05300060      -1.17261424
O       -3.22814000      -4.02500000      -3.68050000      -0.69028691      -0.53677529      -0.42365383
O       -3.22511000       0.81446000      -6.60363000      -1.40213528       2.01350368      -0.00394390
O       -4.56677000       2.32725000      -4.79612000       0.03753457      -0.74898366       0.26516675
O       -4.48239000      -2.35826000      -6.85139000       1.00699398      -0.67246275      -0.51621873
Zn      -2.10226000      -1.20626000      -2.03605000      -0.15034607       1.39580355       0.20154230
Zn      -1.39136000       0.47389000      -4.42400000       0.96977630      -1.11187532      -1.23843654
Zn      -2.53742000      -4.19868000      -1.93943000      -0.63942304      -0.67995381       1.69400021
Zn      -3.23989000      -2.42112000      -4.81972000       0.75332687      -1.60851029      -1.68522102
Zn      -3.94153000       0.75923000      -3.33505000       0.00651053       0.59190124       0.69610381
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.50478236 magmom=-3.41e-05 free_energy=-69.50478236 stress="0.017793156765554024 0.011046722240374863 0.007018405095928361 0.011046722240374863 0.01110927253520438 -0.023536581398354656 0.007018405095928361 -0.023536581398354656 0.022165972420860332" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.18326000       2.23695000      -6.39459000      -0.64976904       0.79358922       1.32041099
O       -0.20473000      -0.27320000      -2.33901000      -0.63711989      -0.00347710      -0.67080885
O       -0.19029000      -0.16065000      -5.58964000       2.66332668       0.69059836      -1.13534820
O       -3.04433000      -0.79007000      -3.86969000       0.98768702      -1.53269959      -0.42820123
O       -0.69293000       2.93214000      -6.15123000       0.06057098       1.50030207       0.47798428
O       -2.25541000       1.83735000      -3.66462000       0.99238583       1.20794253       0.83493881
O       -3.22759000       0.99437000      -6.70074000       0.19046890      -0.91109866      -0.45165602
O       -4.51307000       2.21644000      -4.75640000      -0.23404963      -0.12856702      -0.35528239
O       -4.34545000      -2.34350000      -6.81934000      -0.26187017      -0.26868925      -0.13526998
Zn      -2.04918000      -1.20577000      -1.93843000      -0.18584222       0.38900075      -0.26544473
Zn      -1.43838000       0.40883000      -4.53260000      -1.83113671       0.14836993       1.36714349
Zn      -2.50855000      -4.08783000      -1.88675000      -1.66205622      -2.70147944      -1.37635036
Zn      -3.18461000      -2.47126000      -4.88316000       0.69695116      -0.06255809      -0.09798147
Zn      -1.75826000       3.32514000      -8.13111000      -0.12954669       0.87876629       0.91586566
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.12618811 magmom=-0.000213 free_energy=-70.12618811 stress="0.035924263800117484 -0.008234062530142744 -0.0010924848654488618 -0.008234062530142744 0.03148200129447302 0.003951967359777367 -0.0010924848654488618 0.003951967359777367 0.024048624333789806" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21017000       2.29220000      -6.33938000      -0.77045327      -1.79823943      -1.45026607
O       -0.23812000      -0.26390000      -2.36781000       0.63621757       0.56230139       0.33644334
O        0.13706000      -0.08418000      -5.58971000      -0.89421320      -0.52211285       0.16251605
O       -2.93401000      -0.84662000      -3.91845000       0.08794555      -0.29525990       0.12015969
O       -0.76678000       3.09074000      -6.30416000       1.00311715      -0.01372087       0.64035524
O       -3.22229000      -4.07448000      -3.66479000       0.40225223       0.30578641      -1.28735357
O       -3.26132000       1.05227000      -6.83416000      -0.65154927       0.21650586       0.45194393
O       -4.52565000       2.09560000      -4.73047000      -0.19402387       0.15187165       0.24623039
O       -4.29492000      -2.37235000      -6.81270000      -1.24084658       0.59530640       0.66833816
Zn      -2.01846000      -1.17330000      -1.87314000      -0.23024945       1.01106227      -0.79596207
Zn      -1.53666000       0.34714000      -4.57869000       0.83719801      -0.29219194      -0.03861069
Zn      -2.56848000      -4.12583000      -1.89591000      -0.34689296      -0.24118478       0.60313296
Zn      -3.10220000      -2.52614000      -4.94697000       0.33277301       0.30135168       0.71763584
Zn      -1.79745000       3.35647000      -8.05755000       1.02872508       0.01852412      -0.37456321
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.66530643 magmom=-0.0001472 free_energy=-69.66530643 stress="0.02212854752074535 -0.022241992653847617 0.0002304140474947567 -0.022241992653847617 0.021040162658950718 0.012577863687673654 0.0002304140474947567 0.012577863687673654 0.03523713420672079" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28915000       2.26240000      -6.33417000       1.10835800      -0.76741754       0.64632572
O       -0.22157000      -0.14213000      -2.36942000      -1.06820460       0.17935106      -0.26828746
O        0.31914000      -0.08838000      -5.60794000      -1.96666581      -0.21500481      -0.45913755
O       -2.79094000      -0.98139000      -3.93189000      -0.49915969       0.95003149       1.13989673
O       -0.67119000       3.23888000      -6.32177000      -1.05150264      -1.76229360      -0.20714430
O       -3.01129000      -3.93881000      -3.79965000      -0.00151701      -2.25361431       0.49501243
O       -3.35896000       1.04950000      -6.92556000      -0.39262334       0.42076616       0.43158914
O       -4.58059000       1.99918000      -4.68345000      -0.01826435      -0.09081115      -0.62969732
O       -4.47299000      -2.29639000      -6.67903000       0.23812975      -0.46049381       0.25495089
Zn      -2.00129000      -1.09630000      -1.85117000      -0.14558436      -0.40431682      -0.50125761
Zn      -1.59703000       0.27999000      -4.61574000       1.82026059       0.64733497      -0.23530493
Zn      -2.64195000      -4.17788000      -1.88898000       2.19240300       2.53752729      -0.00880491
Zn      -3.00705000      -2.56107000      -4.97794000      -0.48161672       1.07611103      -0.19037553
Zn      -1.79085000       3.39775000      -7.99898000       0.26598717       0.14283003      -0.46776530
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.81699584 magmom=-0.0003098 free_energy=-69.81699584 stress="0.019981171747478793 -0.005693164786941822 0.008795858981491886 -0.005693164786941822 0.002742675097709178 -0.016856898402695754 0.008795858981491886 -0.016856898402695754 0.019328283297841017" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36192000       2.20446000      -6.31098000      -1.46160051       1.33149110       0.14059539
O       -0.34541000       0.03300000      -2.36659000       1.04079702      -0.67662658       0.92326663
O        0.05954000      -0.13638000      -5.70647000      -0.07264193       1.53738263       0.49155882
O       -2.76383000      -0.95335000      -3.72780000      -0.61893418      -0.54096386      -1.19478827
O       -0.72494000       3.09582000      -6.37828000      -0.49047964       1.59620101       0.26997777
O       -1.72444000       1.82316000      -3.84941000      -0.98652417       2.19669461       1.06126452
O       -3.48776000       1.03186000      -6.96994000       0.39178688      -0.31504456      -0.33751136
O       -4.65662000       1.85427000      -4.69723000      -0.14712190      -0.37427716       0.44155635
O       -4.64143000      -2.29982000      -6.44576000       1.02604924      -0.65025088      -0.11845872
Zn      -1.98802000      -1.03288000      -1.86249000       0.41156228      -1.97794101      -0.37560842
Zn      -1.55387000       0.22759000      -4.67228000       1.00422870      -1.34076778      -0.29105389
Zn      -2.61750000      -4.11625000      -1.87859000       0.32496754      -1.03672108      -1.97108352
Zn      -2.92537000      -2.54352000      -4.99851000      -0.67936892       0.50503246       1.95645540
Zn      -1.75837000       3.45127000      -7.96529000       0.25727959      -0.25420889      -0.99617070
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.77253755 magmom=-0.0001799 free_energy=-69.77253755 stress="-0.00485397908634868 -0.001745538265689815 0.0067164134342609936 -0.001745538265689815 0.014210516521350554 0.0027337787439520723 0.0067164134342609936 0.0027337787439520723 -0.015707308684503308" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.47910000       2.18595000      -6.25076000       2.80454876      -1.61620477       1.20735758
O       -0.39447000       0.11373000      -2.22065000      -1.06097992      -0.02139280      -0.43068463
O       -0.18713000       0.05022000      -5.83658000       2.26528852      -1.39831285      -0.75836615
O       -2.85383000      -0.98847000      -3.72293000       0.75837941       0.79656675      -0.85609665
O       -0.87067000       3.15805000      -6.39285000       1.50281332       0.48522701       0.15979200
O       -1.67426000       1.85230000      -3.76379000      -0.84783558       0.27611047      -0.99444598
O       -3.61127000       1.01857000      -7.05545000      -1.00190213       1.27123788       0.61702393
O       -4.77725000       1.61954000      -4.66766000      -0.33081819       0.24921670      -0.54960966
O       -4.61856000      -2.43912000      -6.20025000      -0.07557294      -0.16412292      -0.18996616
Zn      -1.96124000      -1.04957000      -1.90126000      -0.36531375       1.22139048      -1.17678188
Zn      -1.48001000       0.12709000      -4.71552000      -2.89826254       0.50369903       3.18952238
Zn      -2.55074000      -4.07362000      -1.96807000      -0.05316183      -0.88412525      -0.66840841
Zn      -2.87711000      -2.48642000      -4.92165000      -0.90731913      -0.30350892       1.52968090
Zn      -1.70895000       3.49903000      -7.98739000       0.21013601      -0.41578081      -1.07901726
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.18851223 magmom=-0.0004212 free_energy=-70.18851223 stress="-0.002420466488934052 -0.014117385990007827 0.0024324419726297385 -0.014117385990007827 -0.024997696546091058 0.0076691577261092944 0.0024324419726297385 0.0076691577261092944 -0.01132429293653066" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50224000       2.13352000      -6.13084000      -0.90155361       0.83722304      -0.55089683
O       -0.48987000       0.15138000      -2.11830000       1.84760161       0.07783285       0.00183437
O       -0.08153000      -0.00798000      -5.93613000      -0.37408965       0.52901528       1.51035499
O       -2.83760000      -0.85169000      -3.86756000      -0.91917318       0.16783157       1.36326506
O       -0.76980000       3.34980000      -6.37274000      -0.27023720      -0.20973791      -0.04256051
O       -1.82216000       1.96566000      -3.85568000      -0.52217090      -2.12439375      -0.29378666
O       -3.79746000       1.09465000      -7.11336000       0.48940513      -0.71987715      -0.33238813
O       -4.94292000       1.42733000      -4.68038000      -0.04488053      -0.13750306       0.52107584
O       -4.56646000      -2.57903000      -6.00946000      -0.29988011       0.17761869      -0.04347286
Zn      -1.95445000      -1.01431000      -1.99053000      -1.41253690       0.11196460       0.24803403
Zn      -1.50864000       0.05698000      -4.64196000       2.13726661       2.04331757      -1.25455796
Zn      -2.49039000      -4.09238000      -2.08798000       0.07470999      -0.50250041       0.05191723
Zn      -2.87817000      -2.45370000      -4.78999000      -0.34534463      -0.01934068      -1.38768788
Zn      -1.64962000       3.52118000      -8.05591000       0.54088338      -0.23145063       0.20886930
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.0946026 magmom=-3.16e-05 free_energy=-70.0946026 stress="-0.012337731604228387 0.006790940929201206 -0.006821473642863932 0.006790940929201206 0.003174706873116295 0.0038403313530612723 -0.006821473642863932 0.0038403313530612723 0.019570227104140255" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52867000       2.09596000      -6.05728000       1.02968110      -1.10007040      -0.07060175
O       -0.35980000       0.21083000      -2.08321000      -1.08897206       0.10146123      -0.73096315
O       -0.03738000      -0.04721000      -5.77801000       0.72176069       0.42586899      -1.56876294
O       -2.94571000      -0.74385000      -3.76757000       0.62243045      -1.81300806      -0.37661220
O       -1.78334000      -2.55709000      -6.41595000      -0.62409707      -0.44498432       0.53624839
O       -2.03108000       1.75742000      -4.01048000       0.21712871       1.56338338       0.98027700
O       -3.88631000       1.07706000      -7.15890000       0.12472382       0.17529909       0.92661219
O       -5.07418000       1.28840000      -4.64606000       0.35240771       0.58661325      -0.52486821
O       -4.57676000      -2.63497000      -5.86779000      -0.36239274      -0.04010975      -0.04661688
Zn      -2.00846000      -0.96461000      -2.05151000      -0.78018626      -0.55441612       1.59802410
Zn      -1.44949000       0.08670000      -4.63071000       0.59657961      -0.16215592      -0.82006182
Zn      -2.44040000      -4.12002000      -2.17111000      -0.09441648       1.05494342       0.50009802
Zn      -2.89876000      -2.43695000      -4.74254000      -0.20922671      -0.18734742      -0.81145924
Zn      -3.82246000       0.95627000      -3.26506000      -0.50542078       0.39452262       0.40868648
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00770667 magmom=-0.0002937 free_energy=-70.00770667 stress="0.010250724112925465 -0.0011289034158399325 -0.004644433256231422 -0.0011289034158399325 0.007497294333256571 0.00749649097613396 -0.004644433256231422 0.00749649097613396 0.008538381051378278" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.53381000       2.03076000      -6.00503000      -1.15744399       0.62611068      -2.35609321
O       -0.36781000       0.23366000      -2.17587000       0.29560629      -0.96395705       0.30372677
O        0.12127000       0.02615000      -5.89438000      -0.64502176      -0.93504235       0.22619435
O       -2.98349000      -0.96745000      -3.69980000       0.89730375       2.00861832      -0.23847688
O       -1.85647000      -2.56135000      -6.31373000       0.52975481      -0.19413135      -1.12341313
O       -2.16609000       1.77618000      -3.96267000       1.34883394      -0.05744074       0.08281990
O       -3.87846000       1.00256000      -7.08204000       0.37648028       0.18950355       0.82329109
O       -5.12081000       1.24724000      -4.65640000       0.09881649      -0.10967733       0.71707858
O       -4.65620000      -2.67573000      -5.73577000      -0.28542482      -0.06543314      -0.30047329
Zn      -2.10751000      -0.94252000      -2.01893000       0.19281860       0.72535799       1.02143480
Zn      -1.33638000       0.12906000      -4.67573000      -0.06378211      -0.04901649       0.08401080
Zn      -2.40028000      -4.09250000      -2.22267000      -0.35768428       0.57770129       1.04635635
Zn      -2.93372000      -2.42998000      -4.75316000      -0.37352214      -1.04404454      -0.99736939
Zn      -3.78536000       0.97508000      -3.28270000      -0.85673506      -0.70854884       0.71091324
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.31743372 magmom=-0.0002623 free_energy=-70.31743372 stress="0.014830077359471106 -0.004419878693813481 -0.020794106996371423 -0.004419878693813481 0.008805737942272188 0.0018104983572607629 -0.020794106996371423 0.0018104983572607629 0.0014274855532831403" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.63583000       1.97345000      -6.05384000       1.01915088      -0.85717835       1.94372926
O       -0.36545000       0.04884000      -2.27325000      -0.87733369       0.38157848      -0.51341527
O        0.23343000      -0.05037000      -6.03184000      -0.44207351       1.30661912       1.99995754
O       -2.76784000      -0.88813000      -3.74661000       0.65519219       0.43658126      -1.47650510
O       -1.85021000      -2.61780000      -6.40195000      -0.16594132       0.63180911       0.42314409
O       -2.03429000       1.84345000      -3.85851000       0.49465129      -0.88394027      -1.20992134
O       -3.72379000       0.88209000      -6.83217000       0.13837832       0.39112654      -0.04393507
O       -5.13326000       1.21944000      -4.57484000      -0.20543000       0.62935634      -0.85845749
O       -4.82096000      -2.72045000      -5.62547000      -0.14917663       0.04604313      -0.72715566
Zn      -2.24100000      -0.87449000      -1.89507000       0.58316722      -0.53303736       0.03021049
Zn      -1.18496000       0.17676000      -4.73348000      -0.70939918      -0.29739962       0.94610501
Zn      -2.36725000      -4.02017000      -2.22991000      -0.09128141      -1.55768379       0.10964811
Zn      -3.00992000      -2.47273000      -4.83237000      -0.13789527       0.75631052      -0.07826776
Zn      -3.78803000       0.96446000      -3.26663000      -0.11200889      -0.45018511      -0.54513680
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.6504485 magmom=-0.0002851 free_energy=-69.6504485 stress="0.017779838065403883 -0.01094106705367299 0.01471449357950836 -0.01094106705367299 0.018137892310205905 0.009819942461864191 0.01471449357950836 0.009819942461864191 0.006550577934884319" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.70450000       1.88054000      -6.04532000       1.50547691       0.36520544      -0.16820514
O       -0.44468000      -0.11707000      -2.39082000       0.90112618      -0.16906186       1.06500469
O        0.27619000       0.01120000      -5.87848000       1.04296782      -0.22212496      -1.60094121
O       -2.48252000      -0.70513000      -3.99837000      -2.45228633      -1.99400189       0.83078501
O       -1.86568000      -2.53580000      -6.45198000      -0.22201076       0.59817024       0.20592532
O       -1.78855000       1.80061000      -3.95900000      -0.55364275       1.47277372       0.17952070
O       -3.53734000       0.83952000      -6.56759000      -0.91488157       0.79217290      -0.38134179
O       -5.19489000       1.27041000      -4.56675000      -0.49208759      -0.36963656       0.80381934
O       -4.99406000      -2.72719000      -5.64311000       0.33460589       0.23757413      -0.47126627
Zn      -0.10608000       1.74621000      -6.61075000       1.10915682      -0.84428197      -1.43074980
Zn      -1.06577000       0.21157000      -4.74230000      -0.98641602      -0.49897353       1.56165375
Zn      -2.33634000      -4.00281000      -2.22013000       0.08758970      -0.26611128       0.26937340
Zn      -3.09709000      -2.48970000      -4.92247000       0.11527690       1.26361703       0.66811530
Zn      -3.79843000       0.92651000      -3.27792000       0.52512481      -0.36532141      -1.53169330
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.91397939 magmom=-3.63e-05 free_energy=-69.91397939 stress="0.04115049684539748 -0.004788649478712953 -0.007872033860850107 -0.004788649478712953 0.024639185728654967 0.005323295490194686 -0.007872033860850107 0.005323295490194686 0.02488673447880585" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.68550000       1.84519000      -5.99639000       0.17462952       0.93270136       1.56296507
O       -0.38845000      -0.25932000      -2.33585000      -0.54193554       0.30256444      -0.46837127
O        0.42544000       0.04763000      -5.95740000      -1.09139382      -0.41826685       0.37531521
O       -2.65080000      -0.86025000      -4.05724000       0.05004129       1.48407474       1.38698211
O       -1.90014000      -2.37458000      -6.47301000       0.66422621      -0.98534429      -0.82880858
O       -1.68648000       1.95312000      -4.02018000      -0.05434731      -1.17631435       0.65978483
O       -3.49332000       0.88363000      -6.48956000       0.07874403      -0.36911385      -0.54018475
O       -5.30547000       1.27409000      -4.48067000       0.78723173       0.27978750      -0.57298475
O       -5.04761000      -2.67964000      -5.74671000       0.38813410      -0.06205860       0.13117343
Zn      -0.13075000       1.74451000      -6.59055000       0.50415005       0.48160939      -1.27685759
Zn      -1.02709000       0.20630000      -4.67245000      -0.66458221      -0.84647431       0.77352080
Zn      -2.31143000      -4.00952000      -2.20277000      -0.22762893       0.01644073      -0.13315960
Zn      -3.16362000      -2.43559000      -4.96103000      -0.44783402       0.72313626      -0.23096480
Zn      -3.78218000       0.87795000      -3.36009000       0.38056491      -0.36274217      -0.83841009
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.89652043 magmom=-5.56e-05 free_energy=-69.89652043 stress="0.04154055864126113 -0.0026899442945610107 -0.012400722050281462 -0.0026899442945610107 0.018812018137519936 7.4768448400018e-05 -0.012400722050281462 7.4768448400018e-05 0.017268519731729194" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.64251000       1.87405000      -5.88755000       0.12186420       0.56866714      -3.19703282
O       -0.37712000      -0.35557000      -2.30090000       0.58955267       0.26768099       0.50094531
O        0.37097000       0.00798000      -5.98202000      -1.19469512       0.47115027       1.40178173
O       -2.90011000      -0.80975000      -3.80829000       1.49848978      -1.46056422      -0.98635733
O       -1.81941000      -2.40964000      -6.63786000      -0.69445224      -0.06708098       1.42060026
O       -1.61507000       1.93555000      -3.97195000      -0.34844639      -0.03351378      -0.98163423
O       -3.48437000       0.88658000      -6.50974000      -0.79825366       0.37145270       0.69868903
O       -5.28578000       1.31814000      -4.44918000      -0.06738162       0.16198345       0.41756530
O       -4.99562000      -2.61440000      -5.82226000      -0.06992948      -0.17402501       0.46137172
Zn      -2.35997000      -0.81279000      -1.81104000       0.37683980      -0.74034208      -0.14912550
Zn      -1.02546000       0.15233000      -4.54489000       0.04991881      -0.32423956       0.07861961
Zn      -2.29811000      -4.01940000      -2.19074000      -0.35518887      -0.11163166      -0.13743702
Zn      -3.25039000      -2.33159000      -5.00704000       1.11922621      -0.05444969       0.14324203
Zn      -3.73901000       0.80515000      -3.50232000      -0.22754410       1.12491241       0.32877191
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.74799936 magmom=-0.0001694 free_energy=-69.74799936 stress="0.007034367774242335 0.004479328000939458 -0.009401849817580363 0.004479328000939458 0.02025808049414274 -0.002964113680318659 -0.009401849817580363 -0.002964113680318659 0.006326241038855633" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.60492000       1.96388000      -5.90809000       0.37055517      -0.76576072       0.75555105
O       -0.31880000      -0.39245000      -2.22569000      -1.27403305       0.63360440      -1.26562185
O        0.04785000       0.01877000      -5.76284000       1.44453819      -0.61120177      -2.38117585
O       -2.86719000      -0.98360000      -3.70348000       0.62515013       0.49222400      -1.24654119
O       -1.85696000      -2.47747000      -6.56998000      -0.33849755       0.31206183      -0.03005011
O       -1.60915000       1.86852000      -4.05918000      -0.70860901       0.42367096       0.92269097
O       -3.54390000       0.87246000      -6.45236000       0.11563910       0.04135394       0.10520838
O       -3.00075000       4.01478000      -9.23276000      -0.19448252       0.61308090      -0.92934340
O       -4.94401000      -2.54900000      -5.81844000      -0.71135750       0.23854322      -0.32040739
Zn      -2.32481000      -0.83541000      -1.88208000      -0.13833979      -1.07052589       1.77528743
Zn      -1.03372000       0.06232000      -4.37516000      -1.28022034      -0.30555878       1.32062581
Zn      -2.30919000      -4.03017000      -2.18621000      -1.08389634       0.76150899      -0.09608920
Zn      -3.28971000      -2.21204000      -5.06037000       2.00184329      -1.02293074      -0.11135004
Zn      -3.69042000       0.77676000      -3.65676000       1.17171022       0.25992967       1.50121539
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.80247345 magmom=-0.0002839 free_energy=-69.80247345 stress="0.018361189589267038 -0.01611518827874785 0.0025655375921960276 -0.01611518827874785 0.026928830205035035 -0.005920041615177213 0.0025655375921960276 -0.005920041615177213 0.003791601794168435" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.58366000       2.02876000      -5.94105000      -1.37127104       0.66121814      -1.14661460
O       -0.40613000      -0.30069000      -2.31242000       1.21429887       0.18332981       1.03418419
O       -0.08347000      -0.05136000      -5.86144000       0.17864159       0.62546122       1.25620497
O       -2.63894000      -1.09890000      -3.78744000      -0.88243317       1.41535032       0.45114207
O       -1.95915000      -2.50030000      -6.50875000       0.65833506      -0.82262795      -1.52202086
O       -1.75201000       1.85788000      -3.99943000      -0.53540047      -0.35763977       0.15682912
O       -3.55519000       0.85002000      -6.37680000       0.10991502       0.38015026      -0.06799587
O       -5.22846000       1.65537000      -4.45009000       0.16979243      -0.53727901       0.44349232
O       -5.00182000      -2.43353000      -5.85804000       0.04215619      -0.48494236      -0.27727437
Zn      -2.29995000      -0.91363000      -1.86719000      -0.97769322      -0.17044574       1.55815699
Zn      -1.08058000      -0.04155000      -4.16646000       1.48976040       0.65750666      -2.09901753
Zn      -2.37796000      -4.00862000      -2.19090000      -1.15983047      -0.29009501      -0.58771387
Zn      -3.23841000      -2.15563000      -5.13405000       0.36605418      -1.66833938      -0.58042906
Zn      -3.59591000       0.78532000      -3.73510000       0.69767464       0.40835281       1.38105651
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.91391397 magmom=-0.0003365 free_energy=-69.91391397 stress="-0.010163636073948634 -0.020333225779897737 -0.006228218138033636 -0.020333225779897737 0.01425849764215958 0.001401153131843278 -0.006228218138033636 0.001401153131843278 -0.006922197400722426" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.62397000       2.10172000      -5.99718000       2.30107400      -0.66333587       2.48323813
O       -0.35797000      -0.17336000      -2.27782000      -1.73340713      -0.03707789      -1.01232835
O       -0.10612000      -0.04776000      -5.78637000       0.25664199      -0.83182654       0.69647479
O       -2.66878000      -0.97796000      -3.78765000      -1.02002101      -1.34709177      -0.65346850
O       -0.88269000       3.34851000      -6.62120000      -0.05305661       0.22926886       1.33893416
O       -1.93505000       1.82435000      -3.93198000       1.76791065       1.23735812      -1.29170327
O       -3.54156000       0.90669000      -6.33848000      -0.58210309       0.83138760      -0.41573616
O       -5.18616000       1.74750000      -4.44986000       0.17777527      -0.39069636      -0.23428389
O       -5.01649000      -2.37947000      -5.94609000       0.69972038      -0.02656459      -0.03319194
Zn      -2.32766000      -0.98999000      -1.77558000      -0.79995562       0.27421035       0.29864529
Zn      -1.04391000      -0.09194000      -4.08132000       1.45165724       0.86825219      -2.27466970
Zn      -2.49802000      -3.99318000      -2.21497000      -0.62618785       0.48219066       0.72007263
Zn      -3.16610000      -2.19331000      -5.22938000       0.42198927      -0.79729045       0.33317445
Zn      -3.49236000       0.81197000      -3.73402000      -2.26203749       0.17121569       0.04484236
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.17481406 magmom=-0.0001857 free_energy=-70.17481406 stress="0.014855608414829767 0.00230199441941576 0.01393514218104861 0.00230199441941576 0.02495856999213554 -0.013139216742214493 0.01393514218104861 -0.013139216742214493 -0.001042382836148298" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.59604000       2.17515000      -5.95358000      -1.02212312       0.65346171      -1.08471423
O       -0.49350000      -0.08381000      -2.27138000       0.77849175      -0.43198752       1.37363494
O       -0.03060000      -0.15875000      -5.64126000       0.95529127      -0.20231759      -2.13689119
O       -2.92868000      -1.07179000      -3.88659000       1.16687211       1.25329671       0.80897384
O       -0.85996000       3.25473000      -6.60019000       0.44469459       0.85926419      -0.40538217
O       -1.81853000       1.97748000      -4.08784000       0.09665590      -0.78057008       0.69547279
O       -3.55714000       1.04091000      -6.42084000       0.07376275      -0.15907196      -0.49715757
O       -5.11725000       1.73240000      -4.42801000       0.06349015       0.11322952       0.18513047
O       -4.89580000      -2.35385000      -6.03621000      -0.39490983      -0.33968745       0.11906930
Zn      -0.15664000       1.51725000      -6.50394000      -0.11717124      -0.37935246      -0.48270893
Zn      -0.94159000      -0.08889000      -4.11411000      -1.54215975       0.14980088       0.66123697
Zn      -2.64485000      -3.96301000      -2.21183000       0.03037693       0.05294825      -0.14256831
Zn      -3.07840000      -2.27545000      -5.29795000      -0.21886555      -0.34456625       1.07217186
Zn      -3.48887000       0.84682000      -3.72174000      -0.31440595      -0.44444796      -0.16626779
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.94545881 magmom=-0.0001831 free_energy=-69.94545881 stress="0.012114514728287815 -0.0047379067709836355 -0.010716857896370073 -0.0047379067709836355 0.017463009088242464 -0.008227894315058526 -0.010716857896370073 -0.008227894315058526 0.024178298701336285" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.61004000       2.25437000      -5.95767000       1.03778246      -0.92625143      -0.02110978
O       -0.52357000      -0.08401000      -2.06947000      -0.49204454      -0.08274308      -1.22485920
O        0.20356000      -0.27796000      -5.79457000      -0.52431684       1.03529822       1.40180782
O       -2.92450000      -0.97220000      -3.86366000       1.56224982      -0.32734999      -0.21663540
O       -0.75258000       3.31960000      -6.62426000      -0.69673857      -0.59988937       0.06186960
O       -1.63141000       1.97381000      -4.12340000      -0.28525941      -1.12666839       0.40276752
O       -3.58651000       1.15908000      -6.60096000      -0.56557472       0.08041843       0.16171699
O       -5.03949000       1.74635000      -4.38518000       0.08090271       0.53269844      -0.46143606
O       -4.81907000      -2.33563000      -6.08902000      -0.37286654       0.35513693       0.34791689
Zn      -0.23077000       1.44407000      -6.42854000       0.18820565       0.69266804      -0.89966914
Zn      -0.90934000      -0.07591000      -4.13467000      -0.45768740       0.05378910      -0.09261346
Zn      -2.78326000      -3.93285000      -2.22113000       1.12374095       0.10467104      -0.93912751
Zn      -3.01069000      -2.36492000      -5.29779000      -0.53847401       0.61864611       1.70221405
Zn      -3.51879000       0.85643000      -3.72058000      -0.05991956      -0.41042405      -0.22284232
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.74790154 magmom=-0.0001673 free_energy=-69.74790154 stress="0.014865702807539058 0.0019109868039837022 0.003416249812250413 0.0019109868039837022 0.017265459881812304 0.005184440049969302 0.003416249812250413 0.005184440049969302 0.026558153637739064" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.60004000       2.30813000      -5.99159000      -0.05496097       0.23330104      -1.39526942
O       -0.57621000      -0.11160000      -2.04675000       0.89989965       0.31179239      -0.00945442
O        0.31902000      -0.21860000      -5.73106000      -1.48234473      -0.49650491      -0.29807570
O       -2.57800000      -0.91634000      -3.87248000      -1.16712059      -1.36885681      -0.41068083
O       -0.79625000       3.27084000      -6.64702000      -0.92827468       0.04131492       0.48817879
O       -1.50838000       1.74348000      -4.06801000      -1.14351334       1.94635270      -0.48987803
O       -3.67778000       1.23966000      -6.80754000       0.01012376       0.07715255       0.64991350
O       -4.93514000       1.86425000      -4.39454000      -0.15186084      -0.09871366       0.04454829
O       -4.81535000      -2.24446000      -6.05615000      -0.15988455      -0.46093697       0.28636674
Zn      -0.29821000       1.40411000      -6.40201000       0.84006445       1.11852163      -1.02345898
Zn      -0.90074000      -0.06365000      -4.15739000       1.31544457      -0.93081390      -0.03392417
Zn      -2.86094000      -3.88627000      -2.27408000       1.88423475       0.32094918       1.01428059
Zn      -2.97007000      -2.42919000      -5.19269000      -0.31225189       0.49620339       1.13494324
Zn      -3.55454000       0.83505000      -3.73169000       0.45044439      -1.18976154       0.04251037
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.52620819 magmom=-0.0001819 free_energy=-69.52620819 stress="0.007770065808215295 -0.0030988084806286547 0.002997502932980009 -0.0030988084806286547 0.00969721664783888 -0.0007251761228545822 0.002997502932980009 -0.0007251761228545822 0.010034965309862047" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.57865000       2.38802000      -6.09566000       0.48923049      -0.10583049       1.60622178
O       -0.54181000      -0.05581000      -2.10753000      -0.99978557       0.80623744      -0.58282562
O        0.13802000      -0.22462000      -5.72009000       0.33275354      -0.14060544      -1.39875144
O       -2.38177000      -1.15603000      -3.94002000      -0.94787437       2.04231262       1.99467635
O       -1.07868000       3.16791000      -6.60251000       1.00461395       0.37240331      -1.16356141
O       -1.61606000       1.80694000      -4.07904000      -0.74174924      -0.73155511       0.65487777
O       -3.74004000       1.30575000      -6.95524000       0.73836552      -0.00266209       0.34790032
O       -4.83115000       1.98558000      -4.43158000      -0.00101546      -0.95831548      -0.75975842
O       -4.83782000      -2.18403000      -5.95277000       0.11437072      -0.01914864      -0.63728083
Zn      -0.33475000       1.42720000      -6.43613000       0.64548776       1.17551879      -0.98354805
Zn      -0.82374000      -0.08798000      -4.17819000      -0.24635344       0.02566858       1.65289051
Zn      -2.84107000      -3.80663000      -2.29158000       0.45527180      -1.27044952       0.38493100
Zn      -2.94591000      -2.48140000      -4.98543000      -1.22006922      -0.53291998      -1.39618470
Zn      -3.57743000       0.74082000      -3.74336000       0.37675350      -0.66065398       0.28041274
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.71486865 magmom=-0.0003662 free_energy=-69.71486865 stress="0.018411674591326057 -0.006084925727559337 -0.003317028273291354 -0.006084925727559337 0.005166902439174576 0.00277022623622096 -0.003317028273291354 0.00277022623622096 -0.016213519304150863" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.54922000       2.46244000      -6.14338000      -0.05360515      -0.35090730      -0.73545486
O       -0.58971000       0.16603000      -2.22409000       1.25700320       0.13240089       1.16427904
O       -0.01138000      -0.19588000      -5.84771000       0.70437639       1.19023060       1.72865998
O       -2.45065000      -1.09735000      -3.68155000      -0.32679209      -0.33797510      -1.42225964
O       -1.20352000       3.16340000      -6.70159000       0.37939908       1.02936786       2.21252172
O       -1.90169000       1.76393000      -3.98826000       0.25815263      -0.84762066      -0.90171865
O       -3.66544000       1.39224000      -7.02439000      -0.31328167       0.90975025       0.57020294
O       -4.74616000       1.90169000      -4.58344000      -0.58553978      -0.90346328       0.12017084
O       -4.82426000      -2.11199000      -5.96204000       0.04964811      -0.20202145      -0.30183422
Zn      -0.33556000       1.51443000      -6.52735000       0.34744364       0.49970526      -0.05446257
Zn      -0.73288000      -0.11927000      -4.13195000      -0.62854647       0.08669621       0.36318881
Zn      -2.79703000      -3.80366000      -2.30174000      -0.54062294      -2.26534415      -0.28687361
Zn      -2.97835000      -2.54183000      -4.83390000      -0.17855476       0.95193412      -1.89815012
Zn      -3.57928000       0.60085000      -3.74693000      -0.36908019       0.10724675      -0.55826968
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.99827027 magmom=-0.0002832 free_energy=-69.99827027 stress="-0.0016134832617325384 0.007595522161547697 -0.0009127503678525779 0.007595522161547697 0.017173391262107724 0.0037100973780480723 -0.0009127503678525779 0.0037100973780480723 -0.00040548727372866685" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52949000       2.50927000      -6.17288000       1.30211993      -0.43889802       1.56253780
O       -0.48061000       0.37907000      -2.17305000      -1.02385083      -0.23609222      -0.63239781
O       -0.00089000      -0.02823000      -5.76075000       0.08503119      -0.96478369      -1.06670348
O       -2.52719000      -1.06466000      -3.68177000       0.43682031      -1.12462104      -0.90828219
O       -1.18909000       3.34058000      -6.46990000       1.60219281       0.07191474      -0.94511446
O       -2.04442000       1.60220000      -4.04242000       1.13649003       1.23617096      -0.17235676
O       -3.58650000       1.54866000      -7.05293000       0.19827487      -0.13439396      -0.77479444
O       -4.79086000       1.67726000      -4.71868000      -0.48164167       0.31120188      -0.25749786
O       -4.79618000      -2.07107000      -6.01826000      -0.17840315      -0.21038533       0.67528309
Zn      -0.32057000       1.61307000      -6.59315000      -0.12867969       0.35571130       1.16254393
Zn      -0.69693000      -0.13766000      -4.06375000      -0.91603443       0.43071826       0.07250952
Zn      -2.78236000      -3.89663000      -2.30792000      -0.27443382      -0.19256261       1.49445698
Zn      -3.02423000      -2.56044000      -4.81188000      -0.39989022       0.03560934      -0.46043778
Zn      -3.60909000       0.49665000      -3.76502000      -1.35799532       0.86041040       0.25025346
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.06458358 magmom=-0.000267 free_energy=-70.06458358 stress="0.020474256997721384 -0.003912535327640702 -0.006295126267017864 -0.003912535327640702 0.01654184627083531 -0.002759467603385965 -0.006295126267017864 -0.002759467603385965 0.028893059509809572" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.46650000       2.51366000      -6.14559000      -0.50274051      -0.42767718      -1.27823651
O       -0.45909000       0.46372000      -2.17771000       1.30380102      -1.12405087       0.29448025
O        0.02030000      -0.04531000      -5.84326000      -0.32919268       0.35973907       0.29163848
O       -2.50234000      -1.16454000      -3.83223000       0.20649271       1.72272233       1.41083942
O       -1.96776000      -2.49945000      -6.48987000      -1.05481536      -1.23298866      -0.52784944
O       -1.96936000       1.65786000      -4.13549000      -0.20008321      -0.57759507       0.63362336
O       -3.50399000       1.68105000      -7.19238000      -0.38934076       0.47770118       0.41878980
O       -4.91620000       1.52386000      -4.84710000       0.48220734       0.27957886       0.14755367
O       -4.78138000      -2.04959000      -5.91498000      -0.09322558      -0.42226757       0.78460769
Zn      -0.31109000       1.70280000      -6.58815000       0.25088261      -1.13066989       0.68139599
Zn      -0.71403000      -0.13036000      -4.01735000      -0.51030458       0.45624099      -1.75690978
Zn      -2.78425000      -3.98184000      -2.24164000       0.47691405       1.26451256       0.16551696
Zn      -3.08352000      -2.57910000      -4.83531000      -0.04950793      -0.32437068      -1.25108215
Zn      -3.68826000       0.45328000      -3.77234000       0.40891287       0.67912493      -0.01436774
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.11535927 magmom=-0.0002885 free_energy=-70.11535927 stress="-0.008948429938293105 0.01465934485941539 -0.014284418629559372 0.01465934485941539 -0.002962478155267312 0.009280778608899797 -0.014284418629559372 0.009280778608899797 0.02212389501246179" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.42095000       2.48642000      -6.16470000       1.61218553      -0.43426476       0.88807478
O       -0.27835000       0.34577000      -2.18711000      -2.01745141       0.81632348      -1.08396952
O       -0.01939000      -0.00825000      -5.87786000       0.05898055       0.01185663       0.71348537
O       -2.45345000      -0.99549000      -3.72499000      -0.72960626      -1.49019756      -0.62319408
O       -0.85745000       3.40829000      -6.50911000      -1.79222049       1.10622830       0.48165187
O       -1.90266000       1.64222000      -4.09005000      -0.09245567       0.54458622       0.60009008
O       -3.43413000       1.87007000      -7.31789000       0.39440619      -0.13476911       0.42374099
O       -4.93665000       1.42433000      -4.93886000       0.63341938       0.01241961      -0.04586467
O       -4.79993000      -2.10208000      -5.62385000      -1.18348644      -0.27412603      -0.39944913
Zn      -0.28696000       1.72393000      -6.53905000       0.61407305      -2.57600955       0.44543050
Zn      -0.76491000      -0.09127000      -4.06716000      -0.17864597       0.54540181      -1.49266645
Zn      -2.74902000      -3.99385000      -2.16234000       0.37425187       0.68759919      -0.64270173
Zn      -3.14218000      -2.60804000      -4.91387000       1.84486790       0.59942276       0.56687219
Zn      -3.75596000       0.45319000      -3.77968000       0.46168179       0.58552899       0.16849983
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.95828993 magmom=-0.0003151 free_energy=-69.95828993 stress="0.019477067318844254 0.003373909080823357 0.0033311318869046376 0.003373909080823357 0.010872956747616024 0.013674390360945655 0.0033311318869046376 0.013674390360945655 0.0007489279548972932" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.33383000       2.44226000      -6.18026000      -2.54381506       0.83257166      -1.09007792
O       -0.29695000       0.30033000      -2.31106000       0.84470462      -0.12889600       1.23348916
O       -0.03060000      -0.00210000      -5.77441000       1.26950001      -1.19894760      -0.89324839
O       -2.54385000      -1.05777000      -3.69605000       0.02858587      -0.31864153      -0.48000041
O       -1.20898000       3.37140000      -6.53574000       2.43889881       0.07232587      -1.08287742
O       -1.86668000       1.72571000      -3.90339000      -0.47958335       0.31068380      -0.36218507
O       -3.25798000       2.06255000      -7.36708000      -0.24246028      -0.23986789       0.70929595
O       -4.81616000       1.28966000      -5.06059000      -0.14316532      -0.22189700      -0.83601398
O       -5.04307000      -2.22553000      -5.31297000       0.09707585      -0.26351231      -0.78463711
Zn      -0.23076000       1.64034000      -6.46354000      -0.43438464       1.71842162      -1.46349016
Zn      -0.85034000      -0.01508000      -4.20493000      -1.65365464      -0.11442832       2.03487554
Zn      -2.67055000      -3.95618000      -2.10738000      -0.58885920      -0.76465597      -0.54190590
Zn      -3.11902000      -2.60369000      -4.97909000       0.29050244       0.83078429       1.98390236
Zn      -3.80410000       0.48319000      -3.77027000       1.11665490      -0.51394062       1.57287334
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.14131117 magmom=2.61e-05 free_energy=-70.14131117 stress="0.017819057474290665 -0.008318896111057272 -0.01770858769979625 -0.008318896111057272 0.016765308762643007 -0.004146861309636706 -0.01770858769979625 -0.004146861309636706 0.008557094188001773" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38297000       2.43873000      -6.23641000       0.49943876      -0.91693459       0.95841775
O       -0.27683000       0.26808000      -2.27985000      -1.68907889       0.26818731      -0.96739684
O        0.17893000      -0.14479000      -5.74646000      -0.15099994       1.52328441       0.85860705
O       -2.61303000      -1.17461000      -3.75398000       0.79181148       1.37510778       0.43991716
O       -1.11444000       3.40144000      -6.66305000       1.78248595      -0.11472497       1.80567183
O       -1.91064000       1.84362000      -3.83281000       0.04619952      -0.98518022      -1.44628478
O       -3.12356000       2.18845000      -7.28657000      -1.00097178      -0.08790732       0.19742411
O       -4.70283000       1.08809000      -5.29878000       0.29968601      -0.45137929      -0.02284367
O       -5.24271000      -2.37051000      -5.19147000       1.08976590       0.28496040      -0.49147366
Zn      -0.19413000       1.61778000      -6.45899000      -0.11214613       0.04241022      -1.02833340
Zn      -1.00227000       0.05439000      -4.25604000      -0.52929058      -0.17890717       0.56309122
Zn      -2.62941000      -3.96303000      -2.08748000      -0.67034519      -0.88947928      -0.31496939
Zn      -3.07151000      -2.56108000      -4.95986000      -0.23360138       0.20051418      -0.41542603
Zn      -3.80179000       0.49251000      -3.69576000      -0.12295372      -0.06995146      -0.13640136
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.34540475 magmom=0.0003705 free_energy=-70.34540475 stress="0.0191666935663227 0.001195173930976387 0.006807843616238593 0.001195173930976387 0.011195644510805234 0.007585910524603257 0.006807843616238593 0.007585910524603257 0.03693791033503514" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.45845000       2.38701000      -6.24170000      -0.12580968      -0.42336046       0.25958071
O       -0.43281000       0.25812000      -2.33136000       1.51925094      -0.39799239       0.93869730
O        0.31734000      -0.03542000      -5.64493000      -1.60319644      -0.18127753      -0.60923949
O       -2.55223000      -1.06035000      -3.74155000      -0.79775834      -0.67905658      -0.00719983
O       -0.73466000       3.40213000      -6.49042000      -1.97558778      -0.11514179       0.84088777
O       -1.96534000       1.79632000      -4.02120000      -0.63407849       0.57199129       0.57856971
O       -3.13800000       2.28109000      -7.22760000      -0.11468845       0.35222730      -0.76642492
O       -4.55819000       0.86294000      -5.52167000      -0.06076550       0.81504258       0.59768872
O       -5.19735000      -2.43822000      -5.18140000       0.10051504      -0.55358340      -0.58649598
Zn      -0.16346000       1.60307000      -6.50652000       0.82245412      -0.91148602       0.04138950
Zn      -1.15281000       0.10208000      -4.26424000       2.03248409      -0.43954275      -1.06141136
Zn      -2.61711000      -4.00227000      -2.08458000       1.04266488       1.23592414       0.12227245
Zn      -3.04068000      -2.50828000      -4.94758000       0.11404070       0.26474152      -0.26780825
Zn      -3.79811000       0.49523000      -3.62477000      -0.31952509       0.46151409      -0.08050631
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.40527176 magmom=3.09e-05 free_energy=-70.40527176 stress="0.006652631870684704 0.012875867617952948 0.004787418341037872 0.012875867617952948 0.0032167371518794295 0.004878478008309232 0.004787418341037872 0.004878478008309232 0.014406602256169933" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.48714000       2.30407000      -6.23955000       3.12619064       0.15091557      -0.80654295
O       -0.39850000       0.19921000      -2.25817000      -1.26894528       0.22786396      -0.46843708
O        0.13221000       0.00825000      -5.64929000       0.02382148      -1.38715732      -0.31888298
O       -2.62166000      -1.04519000      -3.70277000      -0.05263796       0.02134613       0.25010354
O       -1.75250000      -2.62201000      -6.24326000       0.71271496      -0.16453032      -1.73223065
O       -2.12898000       1.80988000      -4.05910000      -0.06401951      -0.40851789       1.82254219
O       -3.21265000       2.42444000      -7.33046000      -0.39687686      -0.26164017      -0.41644658
O       -4.45073000       0.78488000      -5.57044000      -0.37093761      -0.01704773       0.65750813
O       -5.12509000      -2.54682000      -5.23908000      -0.42527654       0.39207015       0.67646413
Zn      -0.10071000       1.56047000      -6.55673000       0.16463704       1.17849187      -0.32175906
Zn      -1.19017000       0.12263000      -4.31780000       0.53411003      -0.10941661       0.02928191
Zn      -2.56839000      -3.98747000      -2.07847000      -0.35373846      -0.07147824      -0.20083970
Zn      -3.01671000      -2.44968000      -4.95056000      -1.16288137      -0.13557719       0.84847414
Zn      -3.81645000       0.52127000      -3.56961000      -0.46616055       0.58467780      -0.01923503
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.04882691 magmom=-1.87e-05 free_energy=-70.04882691 stress="0.023255746605137333 0.0008604947994507648 0.004027602266957259 0.0008604947994507648 0.015264853020878634 -0.017916198799397688 0.004027602266957259 -0.017916198799397688 0.0007844142610023036" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36019000       2.22891000      -6.29116000      -1.97215235       1.40575400       0.31839563
O       -0.46661000       0.12668000      -2.19813000       1.66199033      -0.62306619       0.34459668
O       -0.07911000      -0.15824000      -5.74349000       1.38069712       2.35674782       0.91047853
O       -2.74484000      -1.05573000      -3.62311000       0.49382584       0.35682628      -0.86050219
O       -1.67574000      -2.69308000      -6.18902000      -1.18708464      -0.14571753       0.30058724
O       -2.32452000       1.77807000      -3.72051000       1.28223568       0.22611696      -1.18272742
O       -3.35098000       2.53821000      -7.58149000       0.33728901      -0.57839272       0.32968966
O       -4.40388000       0.73802000      -5.49293000       0.26138855       0.80707455      -0.98624871
O       -5.12235000      -2.61907000      -5.19389000       0.06377705      -0.63199479      -0.97504816
Zn      -2.24636000      -1.01247000      -1.78504000       0.45021634      -0.03047728       0.96423396
Zn      -1.19642000       0.14060000      -4.37290000      -1.28536104       0.28792911       1.64680299
Zn      -2.52595000      -3.97911000      -2.09524000      -0.93541732      -2.42810213      -1.29547421
Zn      -3.04808000      -2.39377000      -4.91244000      -0.23493545      -1.14001601       0.18591958
Zn      -3.86558000       0.58598000      -3.50576000      -0.31646913       0.13731792       0.29929643
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.98486488 magmom=-0.0001499 free_energy=-69.98486488 stress="-0.003648139570955347 0.0017984840388952956 -0.015831441902662922 0.0017984840388952956 -0.0016030023573291178 -0.0015938919572580498 -0.015831441902662922 -0.0015938919572580498 0.0025164706422858823" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30379000       2.22452000      -6.37023000       1.45691523      -0.32246845      -0.13888772
O       -0.32183000      -0.06029000      -2.09030000      -2.97585641       0.88158917      -1.10101992
O       -0.02987000      -0.00843000      -5.74293000      -0.00558045      -1.46480540       0.24135551
O       -2.76117000      -0.96752000      -3.69037000       0.56727902       0.30087596       0.03050636
O       -1.77366000      -2.79748000      -6.13647000      -0.25026892       0.49463543      -0.20638634
O       -2.32628000       1.76415000      -3.62764000       0.36315893       0.39372978      -2.35571083
O       -3.44066000       2.52929000      -7.80237000       0.43825020      -0.26417689       0.78304362
O       -4.28523000       0.78792000      -5.57708000       0.59236018      -0.81159061      -0.35706112
O       -5.07978000      -2.72397000      -5.24318000       0.47817428       1.39974074       0.29765243
Zn      -2.11146000      -1.00144000      -1.81750000      -0.32680748       0.39382957       0.16097977
Zn      -1.27444000       0.17456000      -4.35172000      -0.16578145      -0.05334995      -0.42104374
Zn      -2.51843000      -4.07649000      -2.13713000      -0.18204021       0.44735136       2.92024705
Zn      -3.11386000      -2.39298000      -4.84661000       0.00115361      -1.06122825      -0.00724206
Zn      -3.94562000       0.67318000      -3.41449000       0.00904346      -0.33413244       0.15356699
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.640997 magmom=-0.0002087 free_energy=-69.640997 stress="-0.00015136527824186313 -0.014657731260785603 0.00848137646223729 -0.014657731260785603 0.013739598552504357 0.011552585076892418 0.00848137646223729 0.011552585076892418 0.03394628621708571" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24204000       2.22879000      -6.45061000      -1.72686118      -0.27815528       0.57942918
O       -0.44722000      -0.08723000      -2.13900000       2.69222372       1.51121611      -0.09765888
O        0.05245000      -0.04781000      -5.67692000      -0.55283378      -0.57942488      -0.51705884
O       -2.71582000      -0.85756000      -3.76564000      -1.25477963      -1.20732191       0.95835845
O       -0.87393000       3.19767000      -6.08273000       0.88609589       0.53388342      -1.81407293
O       -2.24054000       1.83495000      -3.94353000      -0.25054503      -0.35574246       2.54942896
O       -3.43472000       2.45054000      -7.89348000       0.02682906       0.10560370       0.18983006
O       -4.03077000       0.73122000      -5.79194000      -0.21012946       0.88092998      -0.47277341
O       -4.97651000      -2.63513000      -5.34154000      -1.30990308      -0.41356556      -1.35079531
Zn      -1.99108000      -0.98594000      -1.83072000      -2.50979527      -1.55519483       0.83886488
Zn      -1.35839000       0.21180000      -4.34934000       2.14267471      -0.04113247      -2.06171159
Zn      -2.53148000      -4.17812000      -2.05526000      -1.02901317       0.65342556       0.83155249
Zn      -3.18222000      -2.44068000      -4.76686000       1.07413035       1.00500119       0.39108481
Zn      -1.78178000       3.32603000      -8.14326000       2.02190687      -0.25952257      -0.02447788
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00318805 magmom=-0.0004154 free_energy=-70.00318805 stress="0.009572709095169442 -0.01266462918418339 -0.01280587794356611 -0.01266462918418339 0.01629814919341507 -0.004170457110192779 -0.01280587794356611 -0.004170457110192779 0.0024242499419699433" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25833000       2.22213000      -6.52558000       1.21567613       0.35324725      -1.16519622
O       -0.31303000       0.12446000      -2.22615000      -2.26065059      -0.84472473      -0.27822565
O        0.02648000      -0.19939000      -5.68989000       0.09514513       1.50026687       0.03799605
O       -2.82632000      -0.93100000      -3.66424000       0.96066263       0.32905003      -0.06948484
O       -0.86392000       3.28230000      -6.37788000      -0.39361306      -0.50110287       2.49176193
O       -2.19825000       1.83354000      -3.78972000      -0.10165994      -0.04052558       0.29588760
O       -3.39969000       2.41504000      -7.93739000       0.11735813       0.61165738      -0.35708348
O       -3.83474000       0.73686000      -6.02018000      -0.66499224      -0.14089175       0.79806589
O       -5.04134000      -2.53476000      -5.57370000       0.84515499       0.05353130       0.79438004
Zn      -1.98870000      -1.02911000      -1.81209000      -0.94042344      -0.71495984       0.02271731
Zn      -1.34719000       0.23496000      -4.44135000      -0.11198444      -0.50932298      -0.39990070
Zn      -2.59370000      -4.23496000      -1.93613000      -0.09327097       0.59629199      -0.25933459
Zn      -3.20121000      -2.44545000      -4.68629000       0.36696731      -0.16207863      -0.88436247
Zn      -1.75411000       3.37858000      -8.05229000       0.96563037      -0.53043842      -1.02722087
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.48253476 magmom=0.0004947 free_energy=-70.48253476 stress="0.02568383030670672 -0.014101881719331601 -0.0012814807140144233 -0.014101881719331601 0.028881145355182557 0.005070056162686955 -0.0012814807140144233 0.005070056162686955 0.0012995594137182906" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24338000       2.25393000      -6.65510000      -0.62288676       0.75615503      -0.13779348
O       -0.44635000       0.12847000      -2.31520000       1.22351289      -1.19797366       0.61827283
O        0.02272000      -0.08613000      -5.71405000       0.30933647      -1.00864482       0.32141701
O       -2.76495000      -0.95128000      -3.58991000       0.41652054       0.53966728      -0.88684940
O       -2.00032000      -2.74371000      -6.23752000      -0.00504992      -0.48824272       0.85084652
O       -2.19928000       1.81139000      -3.60200000      -0.39084503       0.33002950      -1.34776553
O       -3.35208000       2.50626000      -8.04952000      -0.42080232       0.23275483       0.04806916
O       -3.81096000       0.75879000      -6.07837000      -0.71363073       1.20689161      -0.02696135
O       -4.97176000      -2.49417000      -5.67460000       0.17321377      -1.06667111      -0.14338802
Zn      -2.04252000      -1.10173000      -1.79278000      -0.11954023       1.31091401      -0.64242560
Zn      -1.33985000       0.23330000      -4.53905000      -1.20771455       0.07668811       1.52757725
Zn      -2.65304000      -4.24872000      -1.83338000       0.26730657       0.35121419       0.31628027
Zn      -3.19228000      -2.45056000      -4.65890000       0.12212302      -0.45571065      -0.24061137
Zn      -1.66713000       3.39513000      -8.02289000       0.96845626      -0.58707160      -0.25666826
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.39235808 magmom=-0.0001916 free_energy=-70.39235808 stress="0.0009938450663478811 -0.0061859975868648 0.0071020406129246655 -0.0061859975868648 0.0038210648379971668 0.0027314217129287923 0.0071020406129246655 0.0027314217129287923 0.009455239786507313" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26351000       2.33941000      -6.80656000       0.94190674      -0.09794445       0.86696388
O       -0.42342000      -0.09492000      -2.28888000      -0.67258121       0.87995867      -0.05959421
O        0.07932000      -0.12670000      -5.65757000      -0.10289868      -0.07714848       0.03099083
O       -2.62017000      -0.87094000      -3.68209000      -1.14234803      -0.78567976       0.08944368
O       -1.95775000      -2.90298000      -5.90180000       2.15062932      -0.21038529      -2.66362785
O       -2.26334000       1.84371000      -3.64171000       0.40675921      -0.15613273       0.81217042
O       -3.34985000       2.66878000      -8.18818000       0.23091209       0.10224982       0.03865555
O       -3.92211000       0.92500000      -6.10496000       0.33017390      -0.71760820      -0.42965369
O       -4.84205000      -2.59627000      -5.73260000      -0.62209674       0.87802922       0.12929076
Zn      -2.10782000      -1.11272000      -1.80620000       0.03718425       0.42148154       0.07216768
Zn      -1.38911000       0.23492000      -4.56365000       0.38630032       0.65711041       0.46902242
Zn      -2.69995000      -4.24704000      -1.72431000      -0.28266504      -0.70267891      -0.39468076
Zn      -3.19572000      -2.47037000      -4.62752000      -0.77573924       0.65373677       0.91623959
Zn      -3.77919000       0.80188000      -3.18379000      -0.88553689      -0.84498862       0.12261170
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.80333014 magmom=-0.0003402 free_energy=-69.80333014 stress="0.0071305972772811544 -0.0065431620296428185 0.004422139499490567 -0.0065431620296428185 -0.021455393290432417 -0.011850689046079983 0.004422139499490567 -0.011850689046079983 0.020663048524244203" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24343000       2.41801000      -6.89657000      -0.03199842      -0.56530778       1.24150028
O       -0.44050000      -0.13799000      -2.27391000       0.95205417       1.09158586      -0.68287536
O        0.10852000      -0.20384000      -5.58326000      -0.47651246       1.05447628      -0.50070428
O       -2.69795000      -0.93115000      -3.77130000       0.06159742       0.55015224       0.58863622
O       -0.55502000       2.96132000      -5.96276000      -3.47031626       1.42339236       1.57445612
O       -2.24003000       1.86048000      -3.56392000       0.51809924      -0.07019421      -0.17739299
O       -3.32538000       2.84013000      -8.28749000      -0.19295279      -0.27664905       0.78538917
O       -3.95128000       0.95812000      -6.22899000       0.85430451       0.12989143      -0.76877184
O       -4.83229000      -2.53070000      -5.76465000      -0.27990972       0.21823654      -0.27487722
Zn      -2.15700000      -1.11180000      -1.82597000       1.44008159      -3.17907574      -0.33459758
Zn      -1.41950000       0.26998000      -4.55336000       0.86306105       0.37892517       0.39135398
Zn      -0.50935000      -1.69915000      -6.47724000       1.48352133       0.92390902      -0.47267888
Zn      -3.23223000      -2.46856000      -4.56256000      -0.13867907      -1.24459783      -1.31741430
Zn      -3.70514000       0.73593000      -3.17557000      -1.58235060      -0.43474429      -0.05202330
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.44612426 magmom=-4.79e-05 free_energy=-70.44612426 stress="0.012692357325652472 0.0058994903478746365 0.005458520438048325 0.0058994903478746365 0.006382573791954311 0.00556771202013036 0.005458520438048325 0.00556771202013036 0.00741401138038626" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20102000       2.48770000      -6.91184000       0.32686383      -0.26219054       0.47840534
O       -0.35471000       0.07543000      -2.41130000      -0.80023670      -0.24552104       0.16583541
O        0.04091000      -0.07848000      -5.60020000       0.05820660      -1.45075807       0.55910540
O       -2.80761000      -0.91833000      -3.71808000       1.24055392      -0.49564588      -0.08750534
O       -0.82712000       3.02975000      -5.89433000       0.33181293      -0.07544343      -0.87979771
O       -3.16778000      -4.15939000      -3.55492000      -0.93938729      -0.23837431       0.00572067
O       -3.33697000       2.99048000      -8.25337000      -0.24481360       0.13296693      -0.50066314
O       -3.76205000       0.94767000      -6.53812000       0.09237717       0.90009510       0.25703588
O       -4.89371000      -2.36958000      -5.82656000       0.12300511      -0.72360582       0.59512913
Zn      -2.14136000      -1.24851000      -1.86144000       0.40827418       1.97077181      -1.00961364
Zn      -1.40122000       0.34335000      -4.51384000       0.06644476       0.06614217       0.98250345
Zn      -0.48998000      -1.69419000      -6.40704000       0.11619863      -0.59205907      -0.34534414
Zn      -3.28318000      -2.53456000      -4.56628000      -0.10584696      -0.23377982      -0.98558279
Zn      -3.71404000       0.63158000      -3.16319000      -0.67345257       1.24740198       0.76477149
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.94920707 magmom=-0.0003671 free_energy=-69.94920707 stress="0.01402291035727489 0.0034581204394516156 -0.0003668991872484575 0.0034581204394516156 0.01880282268440401 0.00270559640162239 -0.0003668991872484575 0.00270559640162239 -0.002747755779760284" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.15854000       2.56219000      -6.91447000      -0.29457534       0.95672958      -1.52579831
O       -0.33237000       0.25926000      -2.51084000       0.31253627      -1.12363339       1.24414048
O       -0.02026000      -0.14312000      -5.54292000       0.64971214       0.65589005      -0.04930056
O       -2.67968000      -0.95276000      -3.66593000      -0.15044502      -0.66477707      -1.08292925
O       -1.10505000       3.09157000      -5.99030000       2.26386454      -0.35018196      -0.88819285
O       -3.22033000      -4.19432000      -3.47422000      -1.11411566       0.72420415      -0.26325003
O       -3.39659000       3.18392000      -8.29175000      -0.29296303       0.24320593       0.14959323
O       -3.51871000       1.06086000      -6.80373000      -0.58772713       0.34239877       0.91477537
O       -4.93831000      -2.33209000      -5.76108000      -0.11137805      -0.84532002       0.33128552
Zn      -2.09330000      -1.33408000      -1.94407000       0.08869824       0.55175991       0.62712356
Zn      -1.37049000       0.42509000      -4.42081000       0.33383947      -0.22395476       0.46964615
Zn      -0.45311000      -1.71255000      -6.35618000      -0.91231626      -1.63239268      -0.84676251
Zn      -3.35570000      -2.62806000      -4.61587000       0.06499768       0.71291103       0.56543274
Zn      -3.76595000       0.57650000      -3.11307000      -0.25012786       0.65316045       0.35423646
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.25608861 magmom=-0.000331 free_energy=-70.25608861 stress="0.013504235481351995 -0.015054883329876636 -0.013006691864967201 -0.015054883329876636 0.028063884671809092 0.015852415033567317 -0.013006691864967201 0.015852415033567317 0.006174601096763177" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.13981000       2.67833000      -6.98885000      -0.18880904      -0.45630452       0.66402192
O       -0.32081000       0.19825000      -2.37364000      -0.68694602      -0.52737039       0.01337785
O        0.03868000      -0.14544000      -5.49234000      -0.15870877       0.09278413      -0.62271923
O       -2.56018000      -1.11654000      -3.82074000      -0.28100249       0.92499968       0.20076398
O       -0.90583000       3.04839000      -6.16484000       0.12520802      -1.32765498       1.93482644
O       -3.45535000      -4.11981000      -3.46564000       0.67054140      -0.72883136      -0.45635677
O       -3.47205000       3.41717000      -8.33684000       0.37545096       0.34783312       0.04506470
O       -3.41560000       1.21852000      -6.85631000      -0.58912403       0.37214015       0.15737375
O       -4.99161000      -2.46219000      -5.63303000      -0.27596225       0.04189636      -0.89280580
Zn      -2.04825000      -1.36579000      -1.99644000      -0.24272737       0.09753090       0.53243117
Zn      -1.33006000       0.48477000      -4.31305000       0.14333194      -0.40411659      -0.05368881
Zn      -0.46338000      -1.79810000      -6.34964000       0.00399492       0.75968233       0.04142085
Zn      -3.40983000      -2.67106000      -4.64138000       1.33369102       0.83563533      -0.35594642
Zn      -1.59508000       3.14214000      -7.90186000      -0.22893830      -0.02822414      -1.20776362
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.08216673 magmom=-0.0003072 free_energy=-70.08216673 stress="0.0268806259065842 -0.006010393014717495 -0.008421592129625963 -0.006010393014717495 0.02267027820682078 0.0016065104973974665 -0.008421592129625963 0.0016065104973974665 0.034563206909329035" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.16940000       2.76908000      -7.04034000      -1.28029330      -0.68270102       0.08669482
O       -0.38624000       0.03025000      -2.24616000       0.52944221       0.37130684      -0.93771175
O        0.05949000      -0.13564000      -5.55435000      -0.65378697      -0.96260113       0.17739316
O       -2.53284000      -1.08255000      -3.93381000      -0.62490855       0.42202732       0.83528955
O       -0.70985000       2.75932000      -5.99127000      -1.13720286       0.50438200      -0.16465855
O       -3.55325000      -4.18151000      -3.54191000       0.71052734      -0.05281207       0.38251171
O       -3.48012000       3.67818000      -8.33396000      -0.28724468      -0.62332644       1.02834039
O       -3.41005000       1.35631000      -6.86064000       0.08184625      -0.25397107      -0.55009149
O       -5.06405000      -2.53603000      -5.63551000       0.33031542       1.10353775       0.21796442
Zn      -2.01888000      -1.38485000      -2.01436000      -0.09302360       0.19933870      -0.33615310
Zn      -1.28188000       0.51244000      -4.22374000       0.65370109      -0.85349030      -1.11989674
Zn      -0.47660000      -1.84123000      -6.34456000      -0.16995153       0.79941991       0.45275957
Zn      -3.38959000      -2.66339000      -4.67986000       1.21423653       0.50812704      -0.09011488
Zn      -1.65756000       3.13353000      -7.91009000       0.72634268      -0.47923754       0.01767288
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.91918127 magmom=-0.00029 free_energy=-69.91918127 stress="0.02386297321010066 -0.00310038489234707 -0.0041248455908064145 -0.00310038489234707 0.031602765570700804 -0.006991131585984007 -0.0041248455908064145 -0.006991131585984007 0.0351153122942886" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27486000       2.82179000      -7.05107000       2.07787766      -0.22347848       2.26368054
O       -0.40336000      -0.08267000      -2.32145000      -0.80880225       0.42813861      -0.32315575
O       -0.04861000      -0.28278000      -5.59847000       0.48809684       1.60478961       0.39225037
O       -2.65909000      -0.93820000      -3.85972000      -0.60255945      -0.67737103       0.18121367
O       -0.75357000       2.53558000      -5.79366000      -0.00184420       1.72911556      -0.55244428
O       -2.42885000       1.74812000      -3.46356000       0.13361146       0.92824846       0.64246272
O       -3.53432000       3.85196000      -8.15284000      -0.10767800      -0.26580568      -0.62723093
O       -3.39376000       1.45000000      -6.98990000      -0.31216677       0.33979683      -0.22011498
O       -5.08058000      -2.39171000      -5.64955000      -0.00728514      -0.55328319      -0.55375611
Zn      -1.99645000      -1.40050000      -2.04544000      -0.57227750      -0.57914114       0.62762664
Zn      -1.18998000       0.49144000      -4.19501000       0.15050810      -0.48100385      -1.57760024
Zn      -0.50495000      -1.84922000      -6.31719000      -1.36896118      -1.81826247      -0.54961348
Zn      -3.29229000      -2.62222000      -4.72976000       0.34063011      -0.16882501       0.38511077
Zn      -1.68619000       3.09635000      -7.92492000       0.59085032      -0.26291822      -0.08842896
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.21225163 magmom=-0.0001534 free_energy=-69.21225163 stress="0.03242295977584646 0.016656725527972455 0.0025051435140751744 0.016656725527972455 0.033833158545862115 -0.007238768971805983 0.0025051435140751744 -0.007238768971805983 -0.0033652348124439697" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31591000       2.87870000      -6.94583000       0.58313596       0.15031872      -2.00723857
O       -0.50625000      -0.09929000      -2.48126000       1.28225980       0.31500282       1.59405382
O       -0.09059000      -0.22450000      -5.61254000       0.80536550      -0.94878523      -1.07076314
O       -2.94716000      -0.92959000      -3.72416000       1.48954605      -1.43935287      -0.80520474
O       -0.80096000       2.65447000      -5.70686000       1.25735618      -0.24046220      -1.60275183
O       -3.36670000      -4.16387000      -3.38606000      -0.26905728      -0.47894641      -0.71051881
O       -3.64460000       3.98749000      -8.03782000      -0.19668660      -0.88328597      -0.41177631
O       -3.38999000       1.55632000      -7.20694000      -0.24496018       0.16629985       0.98253859
O       -5.07173000      -2.26607000      -5.66151000       0.13039671      -0.80314668       1.49358969
Zn      -2.00166000      -1.45184000      -2.05385000      -0.66744126       0.20730011       0.31530708
Zn      -1.06767000       0.44076000      -4.25004000      -1.96525921       1.34220127       0.22227032
Zn      -0.62080000      -1.94422000      -6.30356000      -0.09946172       0.57567605      -0.21970129
Zn      -3.14504000      -2.56917000      -4.76322000      -1.58135597       0.22395795       1.79830747
Zn      -1.69150000       3.04048000      -7.94573000      -0.52383798       1.81322259       0.42188772
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.82706205 magmom=-9.77e-05 free_energy=-68.82706205 stress="0.026072970094359278 -0.007896231211814222 -0.005622956472490302 -0.007896231211814222 0.002985808092500659 0.008491059133797094 -0.005622956472490302 0.008491059133797094 0.010078517880217967" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31021000       2.96727000      -6.89748000       1.06783276       0.00190283       1.06443737
O       -0.40434000      -0.03465000      -2.36602000      -0.89478512      -0.12088838       0.14949696
O        0.01430000      -0.31764000      -5.73785000      -0.50862373      -0.91867003       1.31996400
O       -3.00045000      -1.11197000      -3.66879000       1.04221643       2.51753947       0.74699406
O       -0.74273000       2.67494000      -5.89106000      -2.25929574      -2.14289262       0.46589131
O       -3.28064000      -4.15005000      -3.38739000      -0.38407244      -1.15235055      -1.57184540
O       -3.79372000       4.01519000      -8.06085000       0.42074246       0.65034704      -0.50308514
O       -3.40424000       1.65849000      -7.24893000       0.41357875      -0.31074721       0.78937424
O       -5.04127000      -2.35354000      -5.44173000       0.06685666      -1.05276380      -1.37571072
Zn      -2.04649000      -1.49535000      -2.05122000       0.04291249       0.70123644      -0.29189861
Zn      -1.01986000       0.44515000      -4.31699000      -0.73833259       0.62883423       0.45845152
Zn      -0.74434000      -2.00991000      -6.31327000       2.73213850       3.32744319      -0.55484707
Zn      -3.04952000      -2.51971000      -4.72243000      -1.25190782      -2.57874515      -0.62397465
Zn      -1.71134000       3.05824000      -7.95448000       0.25073939       0.44975455      -0.07324784
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.63882031 magmom=-7.71e-05 free_energy=-68.63882031 stress="0.038226939361665664 0.00566111986172355 -0.012180546574356804 0.00566111986172355 0.03675720530149432 -0.023314873993947126 -0.012180546574356804 -0.023314873993947126 0.01950210793514033" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24917000       3.05501000      -6.83870000      -0.86520733      -1.80061062      -1.28144343
O       -0.39372000       0.04194000      -2.13422000       0.16930537       0.32370576      -0.22877290
O        0.07848000      -0.54186000      -5.63525000      -0.03452518       2.36080459       0.51192472
O       -2.81367000      -0.95616000      -3.64144000       0.40568840      -0.93271197      -2.33505165
O       -1.03318000       2.39403000      -6.03539000       0.71241461       2.46261949       0.62264007
O       -2.22647000       1.64790000      -3.61859000      -1.08225935       1.06734156       1.46123879
O       -3.88779000       4.12208000      -8.14745000       0.55759692      -0.66217186       1.55365478
O       -3.34593000       1.71086000      -7.11548000      -0.32872062       0.30127889      -0.48882245
O       -4.96320000      -2.63174000      -5.33517000       0.27802058       1.32582526       0.13316067
Zn      -2.08979000      -1.52173000      -2.04553000       0.74946967      -0.90395653       1.34302589
Zn      -1.01515000       0.48616000      -4.37110000       0.33642135      -1.15122799      -0.27765036
Zn      -0.77061000      -1.95248000      -6.36318000      -0.19845470      -1.79097737      -1.17338682
Zn      -3.01673000      -2.57553000      -4.67713000      -0.71406906      -0.59116559       0.40705580
Zn      -1.72868000       3.11924000      -7.96492000       0.01431932      -0.00875363      -0.24757311
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.97784024 magmom=-1.2e-05 free_energy=-68.97784024 stress="0.026890299715201037 0.0014554891824820216 0.0028731840486484277 0.0014554891824820216 0.02709269937937669 -0.011469780179930585 0.0028731840486484277 -0.011469780179930585 0.030929844392097124" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24203000       3.03570000      -6.81259000      -0.22649964      -1.01615648       1.47073747
O       -0.40521000       0.15945000      -1.98235000      -0.30483473      -0.16462344      -0.62994951
O        0.11846000      -0.38161000      -5.50073000       0.39358470      -0.88151895      -1.93382490
O       -2.55762000      -0.94240000      -3.95437000       0.15122066      -0.67286881       1.39818360
O       -1.12880000       2.56614000      -6.09046000       1.91876639       0.59234603      -0.63580540
O       -2.40175000       1.62562000      -3.63556000       0.89215291       0.75303379       1.03710108
O       -3.84422000       4.15044000      -7.98691000       0.56453295       0.20251592       0.11235938
O       -3.31147000       1.72734000      -7.10380000      -0.39332705      -0.51296786      -0.87316140
O       -4.87193000      -2.63219000      -5.30442000      -0.76100749       1.05336346      -0.94630910
Zn      -2.09877000      -1.57341000      -1.98969000      -0.09003759       1.12278849      -0.95331281
Zn      -1.01768000       0.48158000      -4.41558000      -2.08821158       0.07282800       1.59577185
Zn      -0.78582000      -1.96236000      -6.45509000       0.72843225       0.16649239       0.21595594
Zn      -3.02995000      -2.66230000      -4.61970000      -0.60298872       0.15332791       0.46380092
Zn      -1.73918000       3.16866000      -7.98810000      -0.18178307      -0.86856044      -0.32154712
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.99611002 magmom=0.0001591 free_energy=-68.99611002 stress="0.023211830504323887 -0.018797929129038007 -0.012698406889648205 -0.018797929129038007 0.017133976962098486 0.022528882291377398 -0.012698406889648205 0.022528882291377398 0.015230411399846586" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25724000       2.95343000      -6.75117000       1.06204849       1.07912788      -0.70744097
O       -0.43693000       0.22898000      -1.98325000       0.72534666      -0.68249109      -0.77875322
O        0.16582000      -0.35364000      -5.66614000      -0.92250301      -0.53299350       0.75822929
O       -2.29533000      -1.07804000      -3.99289000      -0.60579870       0.11615949       1.44759512
O       -0.91933000       2.81301000      -6.19932000      -2.05915774      -2.48983665       0.96436243
O       -2.42814000       1.77930000      -3.45628000       0.44970963      -0.83073421      -1.25259340
O       -4.76244000      -1.83151000      -7.85516000      -0.16619272      -0.74264680      -0.38640377
O       -3.35999000       1.64245000      -7.24913000      -0.43499432       0.24077899       0.64820086
O       -4.89009000      -2.40297000      -5.35649000      -0.12063059      -0.81261852       0.14883298
Zn      -2.10762000      -1.55823000      -1.99093000       0.11945552       1.97842065      -1.75689166
Zn      -1.10148000       0.46022000      -4.39222000      -0.26770970      -0.75714916       0.29896917
Zn      -0.74987000      -1.95299000      -6.52455000       2.47386833       2.84478758       1.52226101
Zn      -3.07249000      -2.73342000      -4.55417000       0.11492297       0.92299035      -1.15695156
Zn      -1.76003000       3.17185000      -8.02362000      -0.36836483      -0.33379501       0.25058370
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.30077274 magmom=-0.0002287 free_energy=-69.30077274 stress="0.028467142934108156 -0.004442597425024166 -0.010484969810389584 -0.004442597425024166 0.01653360367146858 0.017802014265916818 -0.010484969810389584 0.017802014265916818 -0.011941524487135995" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21575000       2.93422000      -6.73310000       0.30519695       0.22276536      -0.47455033
O       -0.36066000       0.16572000      -2.14496000      -0.23502226       0.36767979      -0.06912896
O        0.05015000      -0.37502000      -5.70623000      -0.13003929       2.09583560       1.14772083
O       -2.19223000      -1.18570000      -3.78486000      -1.29007554       0.07028179      -2.95211700
O       -0.98423000       2.67080000      -6.15648000       0.27972811       0.77394307      -0.02120196
O       -2.35345000       1.72140000      -3.49365000      -0.59041677      -1.10280303      -0.17893908
O       -4.63282000      -1.90081000      -7.80713000       0.10632527       0.15099602      -1.24187170
O       -3.48031000       1.56011000      -7.26459000       0.18119357       0.08573550       0.99995860
O       -4.92683000      -2.34394000      -5.33495000       0.01200520      -1.15559308       0.33687893
Zn      -2.10935000      -1.45324000      -2.06065000       0.22295853      -0.49742448       3.03740321
Zn      -1.20207000       0.40301000      -4.34859000       0.85703823      -0.78117502      -0.61483593
Zn      -0.62044000      -1.83976000      -6.51217000      -0.70388139      -1.55860153       0.32770074
Zn      -3.10928000      -2.74308000      -4.55500000       0.39785086       1.21288036      -1.18827756
Zn      -1.79459000       3.15446000      -8.03955000       0.58713852       0.11547964       0.89126021
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.27444543 magmom=-0.0002739 free_energy=-69.27444543 stress="-0.006883629892497805 0.009773096877534965 0.010233091412739209 0.009773096877534965 0.005761291083745167 -0.0008823275172334859 0.010233091412739209 -0.0008823275172334859 0.015974721624149167" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.15525000       2.94538000      -6.76378000      -0.62486559      -0.50467821      -0.34181866
O       -0.30620000       0.17286000      -2.32026000      -0.39366064       0.87100166       0.66293938
O       -0.09391000      -0.10402000      -5.57578000       1.72802460      -1.91911755      -1.98494964
O       -2.34667000      -1.27361000      -3.96496000       0.34058547       1.50682862       1.84387305
O       -1.04463000       2.62429000      -6.11298000       0.80796342       1.20188977      -0.63935140
O       -2.41091000       1.49867000      -3.56825000      -0.11340104       2.01391267       0.75987730
O       -3.45094000       4.02456000      -7.91221000      -0.99008280      -0.32398321       0.57636073
O       -3.55676000       1.46890000      -7.05632000       0.37969288       0.16343465       0.45567293
O       -4.97609000      -2.53593000      -5.24895000      -0.51287600      -0.24688553      -1.14895723
Zn      -2.10050000      -1.34781000      -2.02384000      -0.04168986       0.41320706      -0.32393129
Zn      -1.26256000       0.30240000      -4.33196000      -0.34462914       0.07995500       0.61122732
Zn      -0.50515000      -1.77252000      -6.46882000      -0.70579234      -0.59254571      -0.22566348
Zn      -3.13017000      -2.70190000      -4.62373000      -0.75829735      -2.46603421      -0.71066237
Zn      -1.79499000       3.14097000      -8.00942000       1.22902838      -0.19698500       0.46538335
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00474527 magmom=-0.0004945 free_energy=-70.00474527 stress="0.00978257766124058 -0.006161087580388691 -0.0005290375786264875 -0.006161087580388691 0.0047643635232852855 0.001036058489713296 -0.0005290375786264875 0.001036058489713296 0.005211841005288498" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.15448000       2.90636000      -6.82365000      -1.49868824      -2.16889961       0.23474732
O       -0.33965000       0.34434000      -2.35691000      -0.03226620      -0.53008182       0.02785966
O        0.03004000      -0.14131000      -5.69887000      -0.17934945       0.14043904       0.94208373
O       -2.51892000      -1.14023000      -3.90340000      -1.21913357      -0.64106255       0.72055301
O       -0.93003000       2.83950000      -6.17299000       0.55766733       0.59947454       0.66968323
O       -2.45519000       1.66748000      -3.52610000       1.04000193       0.45446688      -0.31841025
O       -3.49416000       3.90883000      -8.01161000       0.38468275      -0.03605009       0.15872633
O       -3.54000000       1.39208000      -6.78136000      -0.06410595       0.37708535      -1.00374995
O       -5.09047000      -2.72046000      -5.31141000       0.14477615       1.62807125       0.45519067
Zn      -2.09179000      -1.23386000      -1.98137000       0.01237488      -0.25414971      -0.08813466
Zn      -1.31162000       0.21304000      -4.30911000       1.10685015       1.11151481      -0.78980459
Zn      -2.67855000      -4.32615000      -1.60830000      -1.02140546      -0.60414868      -0.87221035
Zn      -3.17644000      -2.76270000      -4.71686000       0.15014366      -0.25990232       0.46208239
Zn      -1.73659000       3.12137000      -7.95719000       0.61845202       0.18324290      -0.59861653
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.05468453 magmom=-0.0002039 free_energy=-70.05468453 stress="0.010501692386198126 -0.006287235351724339 -0.00846964670675589 -0.006287235351724339 0.011511226053711245 0.011505751376396568 -0.00846964670675589 0.011505751376396568 0.014126184832667858" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23551000       2.78240000      -6.84991000       0.86765873       0.77075946       1.39054687
O       -0.39210000       0.37175000      -2.38570000      -0.23818051      -1.60742950      -0.39749634
O        0.14133000      -0.16140000      -5.67082000      -0.79032215       0.92199737       0.74926754
O       -2.82719000      -1.03951000      -3.70876000       0.36213740       0.05540082      -0.95205038
O       -0.75640000       3.11086000      -6.10621000      -1.56582545      -1.48508864       0.87073893
O       -3.38232000      -4.15364000      -3.57623000       0.01113444      -2.01851101       0.28548942
O       -3.48558000       3.77055000      -8.02962000       0.17346532      -0.71578502       0.67623471
O       -3.50968000       1.33014000      -6.72250000      -0.38002716       0.06179244      -0.53467921
O       -5.16453000      -2.59402000      -5.36044000       0.30981945       0.11707836      -1.31100401
Zn      -2.08347000      -1.15178000      -1.94406000      -0.04984190      -1.02625581       1.08889013
Zn      -1.31453000       0.18325000      -4.31785000       0.29121650       0.36509851      -0.55248138
Zn      -2.67016000      -4.32740000      -1.62806000       0.61744750       1.98469445      -0.38642542
Zn      -3.21489000      -2.82941000      -4.78945000       0.23271151       1.79684718      -0.26067558
Zn      -1.65386000       3.11530000      -7.93950000       0.15860632       0.77940140      -0.66635530
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.22909836 magmom=-0.0002567 free_energy=-70.22909836 stress="0.006584434907515036 0.010412584707215322 0.013956016976976725 0.010412584707215322 0.01824089650328769 0.011577822182137288 0.013956016976976725 0.011577822182137288 -0.0027506204826528453" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27935000       2.70089000      -6.81645000      -0.17210585      -0.68778363      -0.87544120
O       -0.46443000       0.07928000      -2.45009000       0.54123344      -0.26251100       0.91968251
O        0.09410000      -0.01946000      -5.51219000       0.24496394      -1.26034369      -1.24728330
O       -3.00517000      -1.01004000      -3.71599000       1.52962852      -0.97700535      -0.27067390
O       -0.80104000       3.10166000      -5.91922000       1.43335438      -0.29812203      -1.60492377
O       -2.20152000       1.69464000      -3.49306000      -0.51673001       0.89037288      -0.60033678
O       -3.43021000       3.55659000      -7.95714000      -0.22495190       0.54448695      -0.80737202
O       -3.54428000       1.25775000      -6.77557000      -0.29532697       0.07924682       0.69189329
O       -5.15054000      -2.40886000      -5.52512000       0.19180055      -0.33947470       1.00832447
Zn      -2.08167000      -1.13038000      -1.86626000      -0.38414809      -0.08060368      -0.16219064
Zn      -1.30245000       0.18107000      -4.35213000      -0.95674433      -0.17007502       0.45441540
Zn      -2.64842000      -4.25002000      -1.66607000       0.07498952       0.83274444       0.21506671
Zn      -3.24511000      -2.80491000      -4.83858000      -1.22128989       1.03867986       2.19974800
Zn      -1.57775000       3.15453000      -7.95689000      -0.24467330       0.69038815       0.07909123
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.34316127 magmom=-0.000374 free_energy=-70.34316127 stress="0.015911734779446858 0.006281158649646925 0.003093054757923977 0.006281158649646925 0.011554406898508153 0.002048242177171083 0.003093054757923977 0.002048242177171083 0.017262977583700864" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31662000       2.61207000      -6.81744000       1.92254231       0.02237539      -0.01115655
O       -0.42458000      -0.26697000      -2.35889000       0.00175676       1.20037521      -0.33402038
O        0.07169000      -0.11701000      -5.58061000       0.28496385       0.67245227       0.56632127
O       -2.85713000      -1.12893000      -3.78109000       0.58552351       1.03036554       0.59542040
O       -0.67750000       3.01119000      -5.98901000      -0.83814502       1.37325832      -0.04292235
O       -2.18337000       1.68773000      -3.58660000       0.06953708       0.78006251       0.29631563
O       -3.43328000       3.42165000      -8.03129000      -0.59208692      -0.31373046      -0.05343365
O       -3.61756000       1.15392000      -6.68259000       0.16571610       0.56209820       0.67382968
O       -5.10594000      -2.34922000      -5.56002000      -0.55760552      -1.39563801      -0.47377044
Zn      -2.10049000      -1.12494000      -1.79416000      -0.03378195      -0.99020119      -0.55021606
Zn      -1.33451000       0.16610000      -4.36651000      -0.03943312      -0.88901367       0.14764528
Zn      -2.61996000      -4.12258000      -1.69952000      -1.03331985      -1.82139281      -1.01909579
Zn      -3.32077000      -2.71709000      -4.78987000       0.63247696       0.45614796       0.12116662
Zn      -3.75571000       0.65147000      -3.13822000      -0.56814420      -0.68715926       0.08391633
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.32598214 magmom=-0.0001234 free_energy=-70.32598214 stress="0.020108068843192547 -0.01239804528547019 0.0013172003714211232 -0.01239804528547019 -0.00014984944661102374 0.00725126240713648 0.0013172003714211232 0.00725126240713648 0.006152618551553889" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26071000       2.50236000      -6.83893000      -0.05602581      -1.40118301      -0.11406146
O       -0.36673000      -0.37999000      -2.30372000      -0.00691228       1.18259377      -0.50627078
O        0.13744000      -0.10641000      -5.55699000      -0.46842154      -0.36260498       0.61347962
O       -2.58284000      -1.09168000      -3.73404000      -2.00898368      -0.56786674       0.54799995
O       -0.66512000       3.17017000      -6.13670000      -1.23146796      -0.25151557       0.45129737
O       -2.16672000       1.84148000      -3.63860000       0.18807502      -0.78157556       0.14473582
O       -3.51803000       3.23635000      -8.17293000       1.00247830      -0.20951477       0.24390348
O       -3.61431000       1.07674000      -6.41540000       0.75110043       0.06126896      -0.24840848
O       -5.14874000      -2.52284000      -5.59249000       0.15967692       0.77549341       0.69850416
Zn      -2.12515000      -1.16248000      -1.74254000       0.16283164       0.68417357      -0.30846480
Zn      -1.37437000       0.10887000      -4.37065000       1.74546504       0.85197775      -0.56674915
Zn      -2.64568000      -4.07751000      -1.79326000      -0.10841020      -0.40469999      -0.21698695
Zn      -3.38113000      -2.58080000      -4.71530000       0.90282869       0.71279340      -0.61063759
Zn      -3.72361000       0.69825000      -3.15414000      -1.03223456      -0.28934024      -0.12834120
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.24210472 magmom=-0.0001795 free_energy=-70.24210472 stress="0.026802741334821006 -0.010934756288761845 0.0003669337277599601 -0.010934756288761845 0.03333946288851003 0.0024374990680178575 0.0003669337277599601 0.0024374990680178575 0.019517832643435862" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.18072000       2.33297000      -6.84345000       0.30295589       0.84044415       1.68744896
O       -0.33354000      -0.25136000      -2.35868000      -0.15461913      -0.21569424       0.04387083
O        0.15077000      -0.08867000      -5.40231000       0.24572622      -0.98047296      -1.85606429
O       -2.65937000      -1.08218000      -3.57202000      -0.50838528       0.79342567      -0.19256009
O       -1.97064000      -2.67729000      -6.23770000       0.26485690      -0.53847996       0.82131165
O       -2.11564000       1.85803000      -3.67735000      -0.18705597      -0.49202040      -0.40456416
O       -3.42621000       2.98215000      -8.24062000       0.21031444      -0.33518872       1.08398441
O       -3.46009000       1.00033000      -6.19454000      -0.37350486       0.11194316      -1.08058192
O       -5.17073000      -2.61433000      -5.57066000       0.42315176      -0.05937311      -1.07451743
Zn      -2.14060000      -1.17747000      -1.70666000       0.18206504       0.93258230       0.27193746
Zn      -1.34231000       0.08083000      -4.39392000      -0.52090091       0.35039161       0.94435322
Zn      -2.68775000      -4.07553000      -1.90877000       0.32037885       0.46630811       1.28468241
Zn      -3.39678000      -2.41181000      -4.67287000       0.32131102      -0.79296135      -1.03000483
Zn      -3.74700000       0.72702000      -3.18021000      -0.52629397      -0.08090426      -0.49929621
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.02264704 magmom=-0.0003631 free_energy=-70.02264704 stress="0.031079490097125753 -0.015149681330314416 -0.005971329974358843 -0.015149681330314416 0.02231140603721385 -0.012469443425047886 -0.005971329974358843 -0.012469443425047886 0.008024429855667509" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.11770000       2.22101000      -6.76710000      -1.25657815      -0.13132731      -0.11251591
O       -0.31614000      -0.16823000      -2.40189000      -0.02172468      -0.86669016       0.39259463
O        0.16235000      -0.26764000      -5.57981000      -0.34614127       1.09826510       0.39201404
O       -2.88125000      -0.96839000      -3.45259000       0.84351747      -0.26863652      -0.78703579
O       -2.13901000      -2.64884000      -6.13308000       1.50433359      -0.12878586      -0.75948409
O       -2.11492000       1.77059000      -3.76652000      -0.46846546       0.42390758       0.47717657
O       -3.29857000       2.69364000      -8.12160000      -0.60619591       0.40027072      -0.67041443
O       -3.35997000       0.89085000      -6.18393000      -0.78276182      -0.26628452      -0.16015406
O       -5.08658000      -2.63807000      -5.67605000       0.39735767       0.74727225       0.79307445
Zn      -2.14439000      -1.13758000      -1.66359000       0.14102076       0.66341251       0.25760516
Zn      -1.31520000       0.07913000      -4.37880000       0.31904527      -0.27597078       0.41025575
Zn      -2.71212000      -4.05420000      -1.95677000      -0.62835796      -1.04023415      -0.30926604
Zn      -3.39037000      -2.29430000      -4.68508000       0.29760769      -1.05884771      -0.25329096
Zn      -3.79059000       0.75223000      -3.22381000       0.60734278       0.70364887       0.32944068
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.13382013 magmom=-0.0002905 free_energy=-70.13382013 stress="0.029723898989501472 -0.01869228427203374 -0.010690640368630202 -0.01869228427203374 0.03033988173271939 -0.00027536915984937085 -0.010690640368630202 -0.00027536915984937085 0.017077568892709186" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.12766000       2.13098000      -6.68071000       0.41677618       0.75806144      -1.12008846
O       -0.29804000      -0.28814000      -2.34833000       0.04123432      -0.33784542       0.39511065
O        0.12538000      -0.20842000      -5.70211000      -0.64600485       0.40887558       0.95402842
O       -2.90138000      -0.90278000      -3.50304000       1.29957698      -0.49886313      -0.28581602
O       -1.97633000      -2.66318000      -6.16054000       0.24255387      -0.49806188       0.06481219
O       -2.20672000       1.76505000      -3.78132000       0.32182066       0.76823527      -0.37321779
O       -3.29869000       2.47839000      -8.10232000      -0.53816627       0.62076382       0.33823405
O       -3.44649000       0.70463000      -6.21628000      -0.96299924       0.57066074       0.40641922
O       -4.92840000      -2.57085000      -5.69630000      -0.86339332      -1.19330685      -0.63976314
Zn      -2.14254000      -1.05149000      -1.60550000      -0.28302687       0.74970625      -0.42092488
Zn      -1.27783000       0.06361000      -4.33279000       0.32035755      -0.28659548      -0.08487458
Zn      -2.77365000      -4.08805000      -2.01655000       0.22356598       0.22094857       0.48581958
Zn      -3.36141000      -2.23641000      -4.71988000       0.98158451      -0.99509606      -0.03207446
Zn      -3.81460000       0.81467000      -3.25438000      -0.55387949      -0.28748287       0.31233522
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.420682 magmom=-0.0001328 free_energy=-69.420682 stress="-0.0008135662467407289 -0.0062895809483029 0.007917212494129536 -0.0062895809483029 0.0030603841401403626 0.007575363241750283 0.007917212494129536 0.007575363241750283 -0.003427215388561985" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.14893000       2.05125000      -6.65495000      -0.14575912      -0.88771378      -0.86631331
O       -0.27739000      -0.52621000      -2.18929000      -0.44282093       0.87074396      -0.44939691
O       -0.03793000      -0.00733000      -5.61865000       0.56014385      -1.40022108      -1.52910101
O       -2.63222000      -0.92986000      -3.63063000      -1.04786113       0.22623941       0.91627402
O       -1.74106000      -2.77508000      -6.18526000      -2.67254519       1.87055168       0.95612483
O       -2.27765000       1.93164000      -3.85387000       0.07433777      -0.42762061       0.43818000
O       -3.37029000       2.38512000      -8.09528000       0.96260322       0.58890694      -0.43903801
O       -3.76369000       0.54282000      -6.14269000       0.42524595       0.57179828       0.42144444
O       -4.86548000      -2.65503000      -5.76098000      -0.30133949       0.20522257       0.64194250
Zn       0.08826000       1.66590000      -6.39220000       0.73147270      -2.53334956      -0.60413300
Zn      -1.21195000       0.02667000      -4.27413000      -0.08398614       0.47793234       0.28141360
Zn      -2.83766000      -4.11763000      -2.07934000       1.59361709       2.74697074       0.94412531
Zn      -3.27566000      -2.22967000      -4.77071000       0.37046927      -0.91331464      -0.26595436
Zn      -3.86926000       0.87907000      -3.27802000      -0.02357785      -1.39614624      -0.44556812
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.40122852 magmom=-0.0002313 free_energy=-69.40122852 stress="0.0011146677256520358 -0.004096584168556107 0.0020693190544401685 -0.004096584168556107 0.03390350282534844 -0.002572722024830086 0.0020693190544401685 -0.002572722024830086 0.007422573445156092" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17223000       1.94780000      -6.69094000       0.31343233       0.82885531       0.36493402
O       -0.33153000      -0.57961000      -2.12686000       0.24491458       1.27354600      -1.17494097
O       -0.13227000      -0.07814000      -5.78866000       0.34820709       0.72294418       1.05444970
O       -2.58363000      -0.93020000      -3.55752000      -1.21231760       0.15580274       0.34801267
O       -1.94529000      -2.61733000      -6.07959000       2.01806526      -0.74864260      -2.59893734
O       -2.32659000       1.99186000      -3.83453000       0.11286203      -1.34070781       0.70971265
O       -3.29154000       2.40128000      -8.12341000      -0.68613304      -0.70315453       0.79634661
O       -3.99538000       0.47629000      -5.96800000       1.09284725       0.68123323      -0.32221855
O       -4.90238000      -2.77953000      -5.74302000      -0.46431877      -0.67553996      -0.12034826
Zn       0.09983000       1.71704000      -6.37287000      -1.03587872      -0.56380640      -0.21554474
Zn      -1.13414000       0.01552000      -4.20842000       0.17270097       0.30968869      -0.48161267
Zn      -2.82744000      -4.00898000      -2.08912000      -0.29530930       0.45795067       0.06248767
Zn      -3.16650000      -2.26766000      -4.83275000      -1.58214791       0.41949415       1.96958431
Zn      -3.92665000       0.87061000      -3.32504000       0.97307583      -0.81766367      -0.39192510
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.74118691 magmom=-0.0003948 free_energy=-69.74118691 stress="0.016531620101143847 -0.012506648854977475 -0.0015499960726926619 -0.012506648854977475 0.01631001196169745 0.00207862050710558 -0.0015499960726926619 0.00207862050710558 -0.004688231486145026" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.19761000       1.88278000      -6.71579000      -1.23119049       1.25364171       2.13383645
O       -0.36074000      -0.35969000      -2.32462000       0.27772914      -0.09612048      -0.15809344
O       -0.09473000       0.00477000      -5.74570000       0.45761264      -0.35591831       1.04489898
O       -2.82192000      -0.94031000      -3.42672000       0.68811229      -0.55141799      -1.52523576
O       -1.93520000      -2.50745000      -6.36274000      -0.84983863      -1.06470939       1.69818520
O       -2.33149000       1.79548000      -3.72980000       1.33405293       0.81374470      -2.06903834
O       -3.29773000       2.29149000      -8.04105000       0.32716195      -0.20136803      -0.67348885
O       -3.99524000       0.50059000      -5.84104000       0.24199659      -0.26199896      -0.82235279
O       -5.00079000      -2.95087000      -5.66361000       0.42064227       0.39755497      -0.03985033
Zn       0.07229000       1.71872000      -6.37201000      -0.45769270       0.87265196      -0.71213821
Zn      -1.05053000       0.02441000      -4.15567000      -1.54687610      -0.02841738       0.51534888
Zn      -2.82285000      -3.86176000      -2.09654000       0.24408801       0.72342356       0.43700104
Zn      -3.11508000      -2.29561000      -4.80763000      -0.27828664      -0.42287206       0.41349441
Zn      -3.93799000       0.80485000      -3.39771000       0.37248872      -1.07819430      -0.24256721
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.82038792 magmom=0.0006507 free_energy=-69.82038792 stress="0.02105938543351887 0.012435199073153273 -0.006508781731437933 0.012435199073153273 0.021001918067683742 -0.001824576792626233 -0.006508781731437933 -0.001824576792626233 0.014682999086738391" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27441000       1.90268000      -6.64586000       1.92344765       0.33752046      -0.24177467
O       -0.31767000      -0.18062000      -2.45096000      -0.52148932      -0.82926829       2.22194205
O        0.07620000       0.08044000      -5.53445000       0.19435293      -0.86636234      -1.85668793
O       -2.89340000      -1.02674000      -3.54544000       1.47082299       0.70612133       0.70087606
O       -1.96913000      -2.57950000      -6.42381000      -0.12032831       0.89650562       0.67074765
O       -2.11102000       1.74241000      -3.93386000       0.03133245       0.75240112       1.11106931
O       -3.29850000       2.12292000      -8.01553000      -0.49572519       0.23764131       1.01968156
O       -3.93973000       0.46619000      -5.88021000      -0.75402815       0.18152766      -0.45055113
O       -5.00535000      -2.99109000      -5.56453000       0.20507599       0.66724469      -0.05738434
Zn       0.01846000       1.75142000      -6.40665000      -0.13175295      -0.16100926      -0.37534493
Zn      -1.06199000       0.03294000      -4.09708000      -1.78093262       0.19274913      -1.07229457
Zn      -2.82287000      -3.71203000      -2.09654000      -0.33776683      -0.12476257       0.13876501
Zn      -3.10122000      -2.34451000      -4.75383000      -0.32946951      -1.63364077      -1.54568973
Zn      -3.91827000       0.69591000      -3.47882000       0.64646087      -0.35666808      -0.26335435
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.13949178 magmom=-0.0002226 free_energy=-70.13949178 stress="0.02333735102895842 0.0024341669010578037 -0.0015675221679030509 0.0024341669010578037 0.02416445633857049 0.008756167602168023 -0.0015675221679030509 0.008756167602168023 0.024900912547381495" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25734000       1.95344000      -6.57038000      -0.96447618       0.65408857       1.16346669
O       -0.39602000      -0.18822000      -2.19214000       0.72983264      -0.27925188      -0.10695454
O        0.22692000      -0.01496000      -5.65308000      -1.09114309       0.95261937       0.92695819
O       -2.68127000      -1.00588000      -3.57018000      -0.36801900      -0.29706967      -0.37153819
O       -2.01929000      -2.50103000      -6.34456000       0.66758534       0.27888974      -1.33674634
O       -1.89801000       1.83319000      -3.91878000      -0.62239790      -0.45014198       1.52372792
O       -3.31646000       2.05485000      -7.90510000       0.72425143       0.85178187      -0.84181465
O       -4.02465000       0.43121000      -5.97292000      -0.24348180       0.34217665       0.84243003
O       -4.94484000      -2.89290000      -5.48668000      -0.11689747      -0.66044046      -0.63454262
Zn      -0.03175000       1.77727000      -6.45254000       0.19590233      -0.43198788       0.88055402
Zn      -1.14538000       0.04667000      -4.09265000       1.65153818       0.03238146      -1.15853348
Zn      -2.83778000      -3.59593000      -2.09066000      -0.49534820      -1.53123209      -0.59490873
Zn      -3.11037000      -2.44929000      -4.77432000      -0.27009439       0.49585958      -0.50363210
Zn      -3.87328000       0.58452000      -3.55749000       0.20274810       0.04232673       0.21153380
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.12114224 magmom=4.13e-05 free_energy=-70.12114224 stress="0.005914903486276112 -0.00031287974964314244 -0.007293356536537973 -0.00031287974964314244 0.017474378040805826 -0.002625809461568196 -0.007293356536537973 -0.002625809461568196 0.008289798357791641" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26639000       2.01602000      -6.48248000       0.90518273      -1.05884950      -1.41276661
O       -0.36594000      -0.24265000      -1.97255000      -0.64565228       0.50670644      -1.03165253
O        0.12567000       0.06860000      -5.60632000      -0.70037759       0.30379239       0.24809057
O       -2.55780000      -1.04360000      -3.62137000      -0.67825033      -0.72860114      -0.15301157
O       -1.96857000      -2.38384000      -6.48791000      -0.69598841      -1.23893932       0.58332417
O       -1.83682000       1.84124000      -3.67749000      -0.25113323      -0.50377798      -2.83454014
O       -3.26217000       2.16605000      -7.86930000      -0.99620331       0.06753706       0.94516592
O       -4.15077000       0.46852000      -5.87350000       0.57611108       0.57770769       0.89098102
O       -4.89797000      -2.85067000      -5.46567000      -0.22257268       0.45405603       0.63164384
Zn      -0.06920000       1.78041000      -6.45181000       0.15156560       0.43240910       0.40089730
Zn      -1.13645000       0.06613000      -4.15471000       1.32847639       0.27600795      -0.33037973
Zn      -2.87338000      -3.56226000      -2.09690000       0.29370023       0.10514766       2.18926139
Zn      -3.12336000      -2.53185000      -4.83132000       1.16824482       0.47312669      -0.36469223
Zn      -3.82304000       0.48584000      -3.61766000      -0.23310301       0.33367692       0.23767862
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.01810973 magmom=-5.19e-05 free_energy=-70.01810973 stress="0.005457574050502585 0.011630514262962837 0.01633168763686906 0.011630514262962837 0.0020631393424961407 0.009708161982936357 0.01633168763686906 0.009708161982936357 -0.00312162610855144" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25416000       2.04968000      -6.42241000      -2.64012763       1.10158021       2.29372749
O       -0.41922000      -0.19924000      -1.97823000       1.31184019       0.05221806      -0.69377626
O       -0.04404000       0.22589000      -5.60003000       1.79207333      -1.62874879      -1.72485724
O       -2.58063000      -1.22566000      -3.70028000       0.52452928       1.08783192       0.66849895
O       -2.02850000      -2.49282000      -6.57787000       0.06196331       0.28027732      -0.05306014
O       -1.85011000       1.77644000      -3.83563000      -0.42514945       0.67326837       1.06362496
O       -3.33285000       2.32394000      -7.73629000       0.64194295      -0.46219296      -1.00445831
O       -4.15557000       0.60649000      -5.55040000       0.40396270       0.21279938      -1.08085608
O       -4.92827000      -2.76726000      -5.37629000      -0.89308789      -0.46837367      -0.80180097
Zn      -0.09892000       1.81117000      -6.42896000       0.52034037       1.32255972      -0.98936372
Zn      -1.07055000       0.09359000      -4.21042000      -1.66956355      -1.16764025       3.15167869
Zn      -2.90662000      -3.55007000      -2.02520000      -0.29313337      -1.48905753      -1.29811624
Zn      -3.07792000      -2.59271000      -4.91919000       0.55525714       0.21719760      -0.24504112
Zn      -3.77721000       0.39467000      -3.67000000       0.10915263       0.26828064       0.71379999
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.96282612 magmom=-0.0001781 free_energy=-69.96282612 stress="0.005140703367577189 0.01001340133897927 -0.016203840995405942 0.01001340133897927 -0.01272618829615617 0.004189051664384392 -0.016203840995405942 0.004189051664384392 0.0051713072282024404" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34671000       2.14723000      -6.28846000       0.69515456       1.62527005      -2.90611975
O       -0.37750000      -0.11090000      -2.16085000      -0.83677739      -0.13295174       0.25906247
O        0.10543000       0.13088000      -5.82392000      -0.25363681       0.67751120       2.13937409
O       -2.50333000      -1.23396000      -3.67926000       0.03821350       0.01074070      -0.49099125
O       -1.04963000       3.45772000      -6.60268000       0.30763959       1.49800920      -0.05051029
O       -1.93914000       1.79771000      -3.88574000       0.17272651      -0.14151058       0.94134682
O       -3.37178000       2.37515000      -7.65844000      -0.22384653      -0.67540693       1.10726559
O       -4.07718000       0.78206000      -5.43006000      -0.38470668      -1.28107808      -0.87926170
O       -5.10049000      -2.65343000      -5.32476000       0.35187702       0.96790504       0.59209184
Zn      -0.09766000       1.90000000      -6.44836000       1.29640403      -1.89192953      -0.10763978
Zn      -1.06283000       0.07086000      -4.13209000       0.99769336      -0.08572571      -0.55082379
Zn      -2.96577000      -3.62416000      -2.00751000      -0.66011369      -1.53876498      -2.14648274
Zn      -2.99577000      -2.64086000      -5.02648000      -0.69947764       0.71581051       1.21085005
Zn      -3.72618000       0.30222000      -3.67684000      -0.80114982       0.25212086       0.88183844
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.42857956 magmom=-0.0001273 free_energy=-69.42857956 stress="0.003166890262988913 -0.013276395550809426 0.0051578081297140345 -0.013276395550809426 0.043092417798186365 0.009552811008038398 0.0051578081297140345 0.009552811008038398 0.0034353932135470096" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.42666000       2.33208000      -6.25017000       0.89383613      -1.38208421       0.52948440
O       -0.44494000      -0.04599000      -2.28139000       0.47371170       0.15362429       2.05482387
O        0.17122000       0.07928000      -5.67102000      -1.59886835       0.19309841      -0.48608992
O       -2.42679000      -1.22870000      -3.72365000      -0.76526811      -0.38043312      -0.05020992
O       -2.17280000      -2.38326000      -6.74606000      -0.71923017      -1.69384957       0.94410321
O       -1.98855000       1.81591000      -3.80133000       0.48697118      -0.09241101      -1.96421606
O       -3.35779000       2.30945000      -7.48576000       0.43215032       0.67078538      -0.47211479
O       -4.09612000       0.79664000      -5.55230000      -1.00062141       1.30119791       0.28422497
O       -5.21943000      -2.43004000      -5.23385000       0.29218811      -1.04998577      -0.90852157
Zn      -0.03485000       1.90778000      -6.47941000       0.43399707      -2.01966748       0.30643030
Zn      -1.00844000       0.04213000      -4.07976000       0.90149015       0.62504097      -2.19712232
Zn      -3.03679000      -3.75406000      -2.08489000       2.15332468       2.70912087       1.27403813
Zn      -2.95045000      -2.65523000      -5.07010000      -0.88130360       0.10010774       1.67896298
Zn      -3.71557000       0.22864000      -3.64222000      -1.10237770       0.86545558      -0.99379327
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.95196749 magmom=-0.000398 free_energy=-69.95196749 stress="0.004858789255152761 -0.006969225992340732 0.007618401992350431 -0.006969225992340732 0.015058087158926044 0.015021099925913987 0.007618401992350431 0.015021099925913987 -0.0018032473214828226" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.42557000       2.43381000      -6.22366000       0.52743694       0.04581713      -0.94870885
O       -0.51755000       0.07410000      -2.05918000      -0.00298672       0.65680673      -0.76490981
O       -0.05620000       0.07374000      -5.66372000       0.79295964      -0.35619572      -2.40368836
O       -2.48478000      -1.26709000      -3.76297000       0.25049752       0.91800728       0.66550371
O       -2.26259000      -2.48386000      -6.68850000       2.01038767      -0.12906669      -0.90910258
O       -1.93818000       1.77922000      -3.99336000      -0.07885582      -1.07447753       1.51328082
O       -3.27219000       2.38265000      -7.41456000      -0.82961260       0.31890834      -0.52902718
O       -4.31730000       0.96114000      -5.55450000      -0.04506966      -1.24802734       1.74705856
O       -5.24860000      -2.33871000      -5.24982000       0.60829816      -0.13929910       0.17015735
Zn       0.04911000       1.79692000      -6.49499000      -0.79697957      -0.80616883      -0.05123965
Zn      -0.91578000       0.04277000      -4.11633000      -1.28755282       0.05918503       1.59376662
Zn      -3.01152000      -3.76347000      -2.12016000       0.20398986       0.26031904      -0.36042723
Zn      -2.96125000      -2.65690000      -5.01533000      -0.78143149       0.68952514       0.72055483
Zn      -3.76995000       0.20351000      -3.65727000      -0.57108113       0.80466652      -0.44321823
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.88734293 magmom=0.0001611 free_energy=-69.88734293 stress="0.017301136603877724 -0.0008489581000881373 -0.01301323345336884 -0.0008489581000881373 -0.005176367213409285 -0.006322421484930958 -0.01301323345336884 -0.006322421484930958 0.01863324312215554" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.41404000       2.48895000      -6.21645000      -0.72724216      -0.79036748       1.10090503
O       -0.53100000       0.31792000      -1.91324000       0.88041186      -0.37057317      -0.84247736
O       -0.18642000       0.01397000      -5.93775000       0.89520636       0.15147547       3.43708167
O       -2.50123000      -1.16736000      -3.70125000       0.47917259      -0.45440135      -0.69320204
O       -0.96209000       3.34319000      -6.64221000      -0.34585429       0.05753006       1.37841423
O       -1.89273000       1.61180000      -3.98707000      -0.46241796       1.71545691       0.06390253
O       -3.31372000       2.52806000      -7.48719000      -1.40313333      -0.62851581       0.57330668
O       -4.57260000       1.04518000      -5.28641000       0.48190993       1.23547601      -1.44135721
O       -5.13093000      -2.28463000      -5.24885000       0.70819726      -0.25227627      -0.10603865
Zn      -2.13553000      -0.92142000      -1.68204000      -0.18013973       2.12074603      -0.74748846
Zn      -0.86810000       0.04647000      -4.11620000      -0.25303872      -0.56840956      -0.41229533
Zn      -2.96983000      -3.76682000      -2.18356000      -0.97965667      -2.90332609      -2.24293250
Zn      -3.00992000      -2.63117000      -4.91753000       0.56380087      -0.02079669      -0.52684331
Zn      -3.85942000       0.22482000      -3.70111000       0.34278400       0.70798194       0.45902473
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.0689103 magmom=0.0001257 free_energy=-70.0689103 stress="0.002762954865606288 0.011617769950173025 0.00739749851304284 0.011617769950173025 -0.0010543527024857709 0.009852971691796142 0.00739749851304284 0.009852971691796142 -0.0039662338642958185" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.45100000       2.52716000      -6.15631000       0.86342418       2.05789792      -0.27050954
O       -0.42751000       0.46159000      -1.98299000      -0.95973846      -0.18866439      -0.48299023
O       -0.12276000      -0.08030000      -5.73275000       0.98346824      -0.26997248      -2.28306666
O       -2.43602000      -1.12910000      -3.74452000      -0.39018310       0.29278687       0.21582110
O       -0.83317000       3.22593000      -6.43696000      -1.16590725       0.65116358      -0.02462382
O       -1.93625000       1.70862000      -3.97547000      -0.33865593      -0.83147520      -1.06954678
O       -3.52280000       2.51764000      -7.52208000       0.83949076      -0.87513152      -0.25243713
O       -4.69063000       1.20142000      -5.22276000       0.14838979      -1.50552597       0.32512378
O       -4.89542000      -2.27311000      -5.25277000      -0.87532504      -0.03124168      -0.31470099
Zn      -2.10427000      -0.96507000      -1.73268000      -0.28281144      -0.53971474       0.28799596
Zn      -0.85385000       0.03075000      -4.11689000      -1.08779959       0.34819855       1.01978901
Zn      -2.96614000      -3.87011000      -2.30335000       0.34185987       0.51768313       2.71930374
Zn      -3.02499000      -2.60425000      -4.86301000       1.24455694       0.36806764      -0.94830634
Zn      -3.91949000       0.27524000      -3.71398000       0.67923106       0.00592831       1.07814790
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.01650825 magmom=-0.0001504 free_energy=-70.01650825 stress="0.013646783566896997 0.004182496906398499 -0.0016204333881140104 0.004182496906398499 0.02132075926369678 -0.0009273041565530752 -0.0016204333881140104 -0.0009273041565530752 0.03513533777686241" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.46142000       2.63161000      -6.12205000      -0.58871185      -2.50277969      -2.34208081
O       -0.46535000       0.52931000      -2.13901000       0.74231085      -0.57794725       0.84060483
O        0.10670000      -0.21352000      -5.82279000      -0.62146885       0.75437318       0.32501149
O       -2.45771000      -1.05345000      -3.74940000      -0.65268174      -0.25824183       0.33418608
O       -0.91095000       3.23050000      -6.29518000       0.94627485      -0.14825056      -2.24353834
O       -2.06793000       1.66753000      -4.11473000      -0.32958690      -0.36507175       0.82809068
O       -3.58356000       2.31210000      -7.54537000       0.29573981       0.31055273       1.53749560
O       -4.74478000       1.19489000      -5.21820000       0.21172586       1.35372577      -0.73477270
O       -4.83393000      -2.21088000      -5.28639000      -0.81828719       0.69762093       0.03356195
Zn      -2.09361000      -1.01350000      -1.76750000      -0.57808478      -0.29808788       0.72096599
Zn      -0.88354000       0.03043000      -4.09597000       0.56789408       0.39709430      -1.76370436
Zn      -2.95024000      -3.95961000      -2.30077000       0.03448851       0.23105141       1.06164480
Zn      -2.97375000      -2.55680000      -4.85298000       0.39818051       0.17930058       0.72460444
Zn      -3.93656000       0.32612000      -3.66635000       0.39220683       0.22666007       0.67793035
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.71116707 magmom=-2.59e-05 free_energy=-69.71116707 stress="0.012205191791049758 0.006081717679249761 -0.0064718084856478265 0.006081717679249761 0.013722737227947946 0.01239995412620616 -0.0064718084856478265 0.01239995412620616 0.024963586124499264" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.48810000       2.64857000      -6.20542000       1.47228883       0.59219616       1.33133317
O       -0.44111000       0.48387000      -2.19777000      -0.89364021      -0.15360793      -0.99985008
O        0.27274000      -0.22103000      -5.93052000      -1.24944208      -0.18562337       1.43085120
O       -2.60273000      -1.03249000      -3.68269000       0.90016018      -0.94330950      -0.63069214
O       -0.89374000       3.22071000      -6.53748000      -1.00763532      -0.45132545       1.81796406
O       -2.28636000       1.53294000      -4.13475000       1.27273596       1.76565288       0.20760682
O       -3.47320000       2.10288000      -7.35937000       1.14128823       0.58280564      -1.00189546
O       -4.77873000       1.34065000      -5.28104000      -0.41135602      -0.89176964       1.48309327
O       -4.98635000      -2.04493000      -5.37563000       0.09094336      -1.29892802      -0.90971320
Zn      -2.11671000      -1.09074000      -1.76830000      -0.45066876       0.69651207       0.13370194
Zn      -0.90372000       0.05517000      -4.15975000      -0.09706595       0.16048609      -1.43095672
Zn      -2.92195000      -4.04612000      -2.21721000       0.56727412       1.03146306      -0.19572822
Zn      -2.88168000      -2.49025000      -4.82632000      -0.76382436      -1.37737648      -0.87187051
Zn      -3.93567000       0.40316000      -3.56539000      -0.57105798       0.47282449      -0.36384416
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.14682389 magmom=-3.71e-05 free_energy=-70.14682389 stress="0.03701813142822263 -0.007096702880561719 -0.006192562499786042 -0.007096702880561719 0.029501818473919906 -0.01454300631247858 -0.006192562499786042 -0.01454300631247858 0.01746101360911832" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.45476000       2.62091000      -6.27151000      -0.46831541      -2.61180205       0.12036561
O       -0.48435000       0.35601000      -2.40270000       1.31070781      -0.34210848       0.68215378
O        0.18089000      -0.24287000      -5.74314000      -0.12912081      -0.23561051      -0.71606318
O       -2.59799000      -1.14184000      -3.68996000       0.58986030       1.59860644       0.32358661
O       -0.99918000       3.14447000      -6.47620000       1.17451545       0.40742420       0.73863564
O       -2.28444000       1.73556000      -4.07960000       0.74663168      -0.25536313       0.89234882
O       -3.18022000       2.03068000      -7.23536000      -1.75053778       0.84049148       0.29405309
O       -4.86744000       1.42773000      -5.11602000       0.43928752       0.85535877      -0.53488065
O       -5.13040000      -2.00332000      -5.60968000       0.51055809       0.15125823      -0.01562116
Zn      -2.17099000      -1.14329000      -1.76162000      -0.13097878       0.57880197      -0.43504670
Zn      -0.93225000       0.09525000      -4.31713000      -1.62751186       0.34969591       0.78583011
Zn      -2.86577000      -4.09825000      -2.12747000       0.05284066       0.12630100      -0.48432972
Zn      -2.81303000      -2.49746000      -4.84155000      -0.89484873      -1.45743163      -0.63895568
Zn      -3.96171000       0.51561000      -3.47250000       0.17691187      -0.00562219      -1.01207657
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.37384743 magmom=-0.0002726 free_energy=-70.37384743 stress="0.011842851601795136 -0.007944866305466439 0.00708882655791653 -0.007944866305466439 0.018369203362426197 -0.01025310604132865 0.00708882655791653 -0.01025310604132865 -0.00770891471617709" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.45202000       2.50610000      -6.30091000      -0.59964606       1.45257569       0.95811272
O       -0.34472000       0.19300000      -2.48481000      -0.03205891      -0.14655240       0.22455710
O        0.11296000      -0.31282000      -5.74030000       0.58310747       1.12200698      -0.49553321
O       -2.49376000      -1.00487000      -3.69561000      -0.80514092      -0.16515670      -0.97902200
O       -0.86564000       3.12880000      -6.34396000       0.66596371       0.14942447      -1.02502955
O       -2.13760000       1.85902000      -3.86518000      -0.23785839      -0.98758744      -0.24072311
O       -3.13514000       2.07423000      -7.17086000       0.37948101      -0.85533819      -0.96875079
O       -4.87942000       1.57016000      -4.97447000       0.35683435      -0.78343384       0.41756238
O       -5.15295000      -2.00502000      -5.82869000       0.31623287      -0.26813474       0.19627831
Zn      -2.22340000      -1.15967000      -1.77478000       0.37188688      -0.34727400      -0.23810450
Zn      -1.04180000       0.15101000      -4.40526000      -1.05803462       0.39327775       1.29232404
Zn      -2.80910000      -4.13381000      -2.07492000       0.44000278      -0.27946041      -0.19562885
Zn      -2.80782000      -2.55220000      -4.86291000      -0.95167046       0.96985367       1.40572599
Zn      -3.97805000       0.60983000      -3.43989000       0.57090030      -0.25420084      -0.35176852
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.31333555 magmom=-0.0002435 free_energy=-70.31333555 stress="0.02259816156967855 -0.007874694091903703 -0.009651516517747455 -0.007874694091903703 -0.004654274031458892 0.002700995129887243 -0.009651516517747455 0.002700995129887243 0.0203948103197787" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.44260000       2.46070000      -6.26691000       1.15026662       0.83000818      -0.68616276
O       -0.28937000       0.03574000      -2.52416000       0.12991573      -0.03360567       0.77594967
O        0.17901000      -0.18779000      -5.84736000      -0.57383818      -0.72292669       1.39449589
O       -2.57399000      -0.93826000      -3.85477000      -0.95250019      -0.61888964       0.16999742
O       -0.68756000       3.12709000      -6.38259000      -1.82480061      -0.07113167       0.96938831
O       -2.07128000       1.80081000      -3.80096000      -0.42420447       0.81668631      -1.19279015
O       -3.13205000       1.98018000      -7.24052000      -0.83788499      -0.07108619       0.80367862
O       -4.81822000       1.57199000      -4.85022000       0.05937618       0.36553786      -1.04133734
O       -5.09244000      -1.99606000      -5.93890000      -0.06266515      -1.02898520       0.23986700
Zn      -2.24736000      -1.18095000      -1.80578000       0.32888471       1.03077934      -1.42423234
Zn      -1.17606000       0.21467000      -4.41152000       1.34193791      -0.37893653      -0.61939722
Zn      -2.73461000      -4.16353000      -2.03584000       1.28086983       0.72570023       0.48896412
Zn      -2.84866000      -2.55632000      -4.81906000      -0.17015901       0.07647482      -0.26301508
Zn      -3.96138000       0.66402000      -3.43048000       0.55480161      -0.91962515       0.38459386
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.35647425 magmom=-0.0002522 free_energy=-70.35647425 stress="0.01839653443156771 0.00551754818740643 0.01314105669541424 0.00551754818740643 -0.010209966165797644 -0.006165493218261796 0.01314105669541424 -0.006165493218261796 0.023901634715452716" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36961000       2.44888000      -6.26568000      -2.08145303      -1.21070529      -0.50243707
O       -0.32473000      -0.10653000      -2.46060000      -0.45051226       0.82248107       0.45096707
O        0.13003000      -0.14545000      -5.66916000      -0.18978087      -0.09861783      -0.83329266
O       -2.84642000      -0.93032000      -3.96139000       0.93834455       1.00450623       1.28098789
O       -0.83992000       3.14179000      -6.27906000       0.85466913       0.44032669      -1.47816358
O       -2.10972000       1.84473000      -3.94325000      -0.22049762      -0.92724024       2.19616526
O       -3.22008000       1.81312000      -7.21477000       0.98988960      -0.28773400      -0.38455314
O       -4.73290000       1.58876000      -4.87500000      -0.08913556      -0.12451459       0.03809598
O       -4.99922000      -2.06380000      -5.94769000       0.43843007       1.10515794       0.27903262
Zn      -2.24952000      -1.15539000      -1.91510000       0.36319114       0.26817772      -0.46603228
Zn      -1.24732000       0.25366000      -4.44169000       0.37078393      -0.90965311       0.18989572
Zn      -2.59618000      -4.16791000      -1.97394000      -0.36442349      -0.53779164      -0.36000290
Zn      -2.90807000      -2.55059000      -4.78976000      -0.55561622       0.71871183      -0.74715451
Zn      -3.91319000       0.66903000      -3.40485000      -0.00388937      -0.26310479       0.33649160
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.06266074 magmom=-0.0001937 free_energy=-70.06266074 stress="0.01637524009487781 0.006957868817505092 0.002025310111178474 0.006957868817505092 0.028867806763342833 -0.0019032475885694814 0.002025310111178474 -0.0019032475885694814 0.011374394678721804" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.37353000       2.39369000      -6.31265000       1.07968292       0.44576795       0.58843920
O       -0.45341000      -0.09410000      -2.25828000       0.33358884       0.79109623      -0.53156147
O        0.04708000      -0.16865000      -5.61404000       0.51619890       1.06190010      -1.30586090
O       -2.93303000      -0.83511000      -3.85721000       1.58461251      -2.01328109      -1.02813417
O       -0.89199000       3.25772000      -6.38292000       0.29322344      -0.32965882       1.44287664
O       -2.17642000       1.80466000      -3.68551000       1.23717692       1.15822127      -0.63974703
O       -3.20954000       1.58876000      -7.19332000      -0.99642820       0.91223984       0.43432926
O       -4.65452000       1.57772000      -4.91126000      -0.16648927      -0.31395040       0.35485129
O       -4.83063000      -2.07448000      -5.92558000      -0.67023377      -1.84181047      -0.81410866
Zn      -2.23409000      -1.09741000      -2.07874000       0.01937610      -0.79439195       1.82169115
Zn      -1.30958000       0.25130000      -4.47058000      -0.27910269       0.21029458       0.29191372
Zn      -2.44563000      -4.19875000      -1.91878000      -0.92547548      -0.53971149      -0.17758960
Zn      -3.01531000      -2.51294000      -4.80021000      -0.44989687      -0.37897047      -0.62217399
Zn      -3.86753000       0.67149000      -3.34759000      -1.57623335       1.63225470       0.18507457
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.04301044 magmom=-0.0002443 free_energy=-70.04301044 stress="0.013119306540314235 -0.007027728574879477 -0.011013683317379237 -0.007027728574879477 -0.000553483722385871 -0.0016263004004508316 -0.011013683317379237 -0.0016263004004508316 -0.000997447365822903" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.37409000       2.32527000      -6.31456000      -1.23559459      -2.51253514       1.27623114
O       -0.49170000       0.07313000      -2.15791000       1.52272940      -0.83114559      -0.63374656
O        0.03912000       0.02377000      -5.82290000      -0.55843747      -0.43289404       0.86111503
O       -2.72369000      -0.99973000      -3.91999000      -0.25160751       1.99074507      -0.11624139
O       -0.87037000       3.30049000      -6.28587000      -0.00040888      -0.77006664      -0.40423753
O       -3.10371000      -4.06572000      -3.62053000      -0.08312649      -0.28976349      -1.90447164
O       -3.29255000       1.46793000      -7.17333000      -0.18597545       0.15115527      -0.68183063
O       -4.61094000       1.49489000      -4.86202000      -0.32714043       0.30346465      -0.61964533
O       -4.73127000      -2.27715000      -6.02981000       0.15826234       1.80024746       0.05925379
Zn      -2.21345000      -1.07738000      -2.14908000      -0.02644781      -0.21623313       2.08950476
Zn      -1.38115000       0.25753000      -4.48941000       1.06688169       0.83794452      -0.79824630
Zn      -2.33437000      -4.25412000      -1.86116000      -1.19364460       1.40346499       0.70170908
Zn      -3.15244000      -2.49736000      -4.84742000       0.37226099      -1.79539986      -0.32291439
Zn      -3.88361000       0.74718000      -3.27394000       0.74224881       0.36101593       0.49351997
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.14468975 magmom=0.0005626 free_energy=-70.14468975 stress="0.008141609140125084 0.002058513285728255 0.0010763186827298385 0.002058513285728255 0.008647033566800128 0.01679573110145835 0.0010763186827298385 0.01679573110145835 0.00484742231235534" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38562000       2.18051000      -6.25047000       1.28943796       2.03174406      -1.49166422
O       -0.32868000       0.11616000      -2.23414000      -0.57843935      -0.60529281      -0.22674583
O       -0.05434000       0.07262000      -5.83375000       0.46895986      -1.26786594       0.22247965
O       -2.62060000      -0.88188000      -4.01069000      -1.79008943      -1.01784642       0.84753370
O       -0.81956000       3.19330000      -6.25770000       0.36242440       0.31180740      -0.85393238
O       -2.95852000      -4.01047000      -3.81476000      -0.33880532      -0.94914953       1.33347847
O       -3.41705000       1.37898000      -7.28063000      -0.19810407      -0.30243364       0.23208636
O       -4.65219000       1.40879000      -4.82425000      -0.37672579      -0.47492763       0.97776581
O       -4.69573000      -2.28566000      -6.15472000      -0.84333422      -0.98527166       0.06320282
Zn      -2.19744000      -1.06249000      -2.11859000      -0.05108245       0.21770399      -0.10097854
Zn      -1.38818000       0.31391000      -4.54880000       1.37523464       1.21567783      -0.73417193
Zn      -2.29872000      -4.24240000      -1.78363000      -1.30162085       0.78504071      -0.62919578
Zn      -3.26045000      -2.55050000      -4.90617000       1.06711119       1.01391848       0.27846255
Zn      -1.63112000       3.41205000      -8.01968000       0.91503344       0.02689516       0.08167931
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.70225303 magmom=-0.0004144 free_energy=-69.70225303 stress="0.018946778111668228 0.003445038317463383 -0.0034183918357673245 0.003445038317463383 0.0057910074080142265 -0.016813914271541965 -0.0034183918357673245 -0.016813914271541965 0.030758094519812384" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35194000       2.11161000      -6.24031000      -2.26185382      -1.73240438      -1.24198921
O       -0.28975000       0.01541000      -2.34106000      -0.15893634      -0.22763409       1.08327313
O       -0.02648000      -0.09321000      -5.76538000       1.03044680       2.29917715      -0.09342416
O       -2.83097000      -0.88466000      -3.96050000       0.39569083      -0.04733689      -0.14643042
O       -0.71340000       3.16480000      -6.35376000      -0.49573069       0.77473104       1.95167170
O       -1.85117000       1.91527000      -3.70320000      -0.83068129       1.00085010       0.32429154
O       -3.55536000       1.21718000      -7.36324000       0.06205418       0.29516203       1.40710772
O       -4.74693000       1.31610000      -4.73048000       0.60174858       1.10054280      -1.34953051
O       -4.76909000      -2.37313000      -6.23670000       1.00530061       0.61657850       0.52297671
Zn      -2.18027000      -1.04733000      -2.09022000       0.48450956      -1.53377089      -0.25183636
Zn      -1.33785000       0.41575000      -4.63502000      -0.66216196      -0.95655025       0.78782655
Zn      -2.33672000      -4.20469000      -1.75191000      -0.52656554      -2.32398249      -1.91923839
Zn      -3.30267000      -2.56325000      -4.94026000       1.43790086       0.78482802       0.89564257
Zn      -1.57164000       3.50135000      -7.93940000      -0.08172178      -0.05019065      -1.97034085
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00553879 magmom=-0.0001567 free_energy=-70.00553879 stress="0.016461527916211124 0.0025586343395480908 -0.0032833617166210492 0.0025586343395480908 0.03586444390338716 0.019788217227991647 -0.0032833617166210492 0.019788217227991647 0.017537225306639554" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43896000       2.00159000      -6.30130000       0.89752199       2.09918958      -0.47814651
O       -0.38634000      -0.14267000      -2.28019000      -0.83413901       0.73019697      -0.56700983
O        0.23463000       0.07675000      -5.75095000      -0.96569116      -1.76139307       0.74962568
O       -3.01617000      -0.88787000      -3.88627000       1.26443531       1.18444924       0.46681441
O       -1.76821000      -2.72151000      -6.17843000      -0.13248150      -0.48628382      -0.71059919
O       -3.05070000      -4.01923000      -3.64781000      -0.04761276      -0.46517856      -1.04079775
O       -3.62297000       0.98804000      -7.23399000       0.56224647      -0.48345544      -0.01411989
O       -4.73487000       1.39770000      -4.81585000      -0.04521293      -0.42458365       1.48367949
O       -4.68948000      -2.46436000      -6.22207000      -0.59629873      -1.46427241      -0.59709018
Zn      -2.13980000      -1.10247000      -2.07683000      -0.67711657       0.80648775      -1.31323686
Zn      -1.31105000       0.48835000      -4.68712000      -0.18296904      -0.64306798       0.83036184
Zn      -2.41340000      -4.25775000      -1.80803000       0.42291605       0.87885565       0.65565961
Zn      -3.26606000      -2.52550000      -4.92907000       0.50406100       0.83054519       0.90826063
Zn      -1.49960000       3.59564000      -7.94953000      -0.16965912      -0.80148947      -0.37340147
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.57564384 magmom=-0.0002672 free_energy=-69.57564384 stress="0.0032880015483995758 -0.02565449713619988 0.003128882599408356 -0.02565449713619988 0.030882147509613697 0.013189760208489493 0.003128882599408356 0.013189760208489493 0.04027560045644626" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50901000       1.93880000      -6.37836000       0.17238921      -2.55848980       1.87988026
O       -0.56412000      -0.12933000      -2.30737000       2.09452110       0.79210901      -0.22340925
O        0.32233000       0.00597000      -5.62943000      -1.54878674      -0.43001233      -0.79889925
O       -2.95667000      -0.68626000      -3.76063000       0.40176512      -0.68220589      -1.24622297
O       -1.77225000      -2.67735000      -6.03234000       0.13594302      -0.46746755      -1.54102809
O       -3.18078000      -3.99125000      -3.71450000       1.40874080       0.33607402      -0.37927470
O       -3.61728000       0.70543000      -7.03947000      -0.97293416       1.18723690       0.09962207
O       -4.71898000       1.48158000      -4.75368000      -0.72777118       0.44216550      -1.36668164
O       -3.56931000       3.26271000      -6.23180000       0.79957617       1.37552048      -0.47582531
Zn      -2.13741000      -1.15068000      -2.11490000      -0.84933272      -0.86848918       0.89928857
Zn      -1.29555000       0.52620000      -4.69374000       0.12702627      -0.66403489       0.70140286
Zn      -2.47888000      -4.28473000      -1.84646000       0.73929297       1.15872185       0.92528029
Zn      -3.19983000      -2.43157000      -4.86042000      -0.34418762       1.31247953       0.85401187
Zn      -3.67952000       1.07991000      -3.15340000      -1.43624225      -0.93360765       0.67185529
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.16339275 magmom=-0.0002904 free_energy=-70.16339275 stress="0.019422719515443825 -0.007490806290761725 0.004837163143805126 -0.007490806290761725 0.03339856785157753 -0.007556240381260218 0.004837163143805126 -0.007556240381260218 0.02342222163450508" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.53851000       1.82377000      -6.35641000       2.29187043       2.74696977      -0.36068833
O       -0.39243000       0.02647000      -2.40511000      -0.56310176      -0.86396643      -0.10587645
O        0.10440000      -0.17399000      -5.65967000       0.42661703       1.51262621      -0.97327750
O       -2.79194000      -0.60962000      -3.86937000      -0.08079075      -0.68482691      -0.22280789
O       -1.77141000      -2.75202000      -6.20856000      -0.62350136      -0.47517920      -0.32895149
O       -3.06695000      -3.93970000      -3.85199000      -0.13621327      -0.11421984       0.83229238
O       -3.73141000       0.53310000      -6.90378000      -0.30712394      -0.41586393      -0.59345446
O       -4.85457000       1.59617000      -4.77390000      -0.39280029      -0.32277540       1.58072474
O       -3.43393000       3.14154000      -6.41221000      -0.52025918      -0.87570065       0.31752452
Zn      -2.17780000      -1.22343000      -2.11801000       0.24325657       0.53523869       0.70603188
Zn      -1.27761000       0.52754000      -4.65745000      -0.16039240      -0.20178515       0.82838805
Zn      -2.50034000      -4.25254000      -1.83670000       0.47744720      -0.50446126      -0.40798208
Zn      -3.14740000      -2.27240000      -4.76073000       0.22142481      -0.08589816      -1.33788289
Zn      -3.69366000       1.08801000      -3.16292000      -0.87643308      -0.25015774       0.06595951
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.77176427 magmom=-0.0003472 free_energy=-69.77176427 stress="0.02102108193488876 -0.024878390286395075 -0.0014852314963950822 -0.024878390286395075 0.01005554330954821 -0.004230149617721847 -0.0014852314963950822 -0.004230149617721847 0.028690107503283824" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.46798000       1.82749000      -6.31130000      -2.00801285      -1.04353130       0.46972431
O       -0.30803000      -0.00330000      -2.48418000       0.11613058      -0.68960364       0.92396976
O       -0.03301000      -0.06084000      -5.84791000       0.46425029      -1.08476716       1.21943185
O       -2.66186000      -0.62870000      -3.98810000      -0.48186708       0.87257291       1.26126614
O       -0.78953000       3.10922000      -6.35111000       0.62183669       0.60117914       1.11443791
O       -2.97237000      -3.88876000      -3.82791000      -0.60059649       0.30197282       0.31536008
O       -3.91680000       0.37954000      -6.88533000      -0.37610492       1.11576089       0.34934692
O       -5.00571000       1.65957000      -4.64896000       1.31511452       0.08337246      -1.18693356
O       -3.33697000       2.97377000      -6.52006000       0.73248500       0.78704396       0.51215234
Zn      -2.20191000      -1.25354000      -2.09217000       0.38476930       2.79678876      -1.67315719
Zn      -1.26473000       0.51819000      -4.58476000       0.60516934       0.37698206       0.45990875
Zn      -2.49673000      -4.25393000      -1.84765000      -0.12523914      -1.27788841      -0.65432454
Zn      -3.09490000      -2.15878000      -4.74117000       0.14347617      -3.04575571      -1.89225396
Zn      -3.75788000       1.08291000      -3.17372000      -0.79141143       0.20587321      -1.21892881
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.19551341 magmom=-0.0002598 free_energy=-70.19551341 stress="0.009123989814993561 -0.0022188004579825663 -0.006235119262326962 -0.0022188004579825663 0.036544967127759 0.007443966823111442 -0.006235119262326962 0.007443966823111442 -0.0012283391633921912" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.47882000       1.82815000      -6.24890000       1.96111168      -0.43797989      -1.90485998
O       -0.26787000      -0.16726000      -2.39376000      -1.55537794       1.24297640      -0.44557627
O       -0.04195000      -0.08032000      -5.81139000       0.27510149       0.26043432      -0.17543620
O       -2.68603000      -0.54905000      -3.88526000      -0.98120055      -0.88317257      -1.06339393
O       -0.74491000       3.11301000      -6.32619000       0.08312500       1.14584041       0.83015419
O       -3.01283000      -3.79709000      -3.72174000      -0.15522347      -0.66462812      -0.44148459
O       -4.15436000       0.34708000      -6.84002000       0.49259211       0.33313340       0.38279739
O       -4.91160000       1.73014000      -4.67215000      -0.53122754       0.14542311       1.50313730
O       -3.17425000       2.91067000      -6.48706000      -1.22140576      -0.35111304       0.34337064
Zn      -2.20474000      -1.14827000      -2.13920000       0.19412202      -0.68978892       0.82343814
Zn      -1.21762000       0.53303000      -4.48702000       0.46851509       0.57366248      -0.15871388
Zn      -2.49908000      -4.32657000      -1.89533000       0.13137722       0.56263677       0.48464478
Zn      -3.02991000      -2.19831000      -4.83077000       0.45053718      -0.79994013      -0.92863466
Zn      -1.62538000       3.65589000      -8.07517000       0.38795348      -0.43748423       0.75055706
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.56751544 magmom=-0.0002086 free_energy=-69.56751544 stress="0.0007538400725114364 -0.00946601062149265 0.00908759020134118 -0.00946601062149265 0.0342536999900779 0.0042248681400806525 0.00908759020134118 0.0042248681400806525 0.013722514056547643" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.46350000       1.81460000      -6.24640000      -2.55711603       0.81964306       0.78526156
O       -0.43813000      -0.12455000      -2.31595000       1.53891256       0.44828223       0.07340512
O        0.00615000      -0.12246000      -5.73523000      -0.13278096       1.16374250      -0.59542768
O       -2.93757000      -0.61878000      -3.94446000       0.34586067      -0.01639428       0.04285679
O       -1.73631000      -2.70538000      -6.20122000       0.46041405      -1.63236613      -2.14936564
O       -3.10628000      -3.82768000      -3.69918000       0.06340555      -0.69990868      -0.61263937
O       -4.28370000       0.31773000      -6.74539000       0.79975100      -0.66377466      -0.22340841
O       -4.87454000       1.87765000      -4.60104000      -0.68093964       0.34876446      -1.44660159
O       -3.15870000       2.82558000      -6.39760000       0.02880474       0.23910940      -1.00374963
Zn      -2.19980000      -1.03373000      -2.16958000      -0.84129180      -1.68392428       1.13279421
Zn      -1.13451000       0.58046000      -4.38214000      -0.24902856      -0.39505529      -0.75220702
Zn      -2.48379000      -4.37496000      -1.92713000       1.30412569       2.43121406       0.83198855
Zn      -2.93590000      -2.30164000      -4.98113000      -1.66562222       0.71973391       2.45744341
Zn      -1.71960000       3.62655000      -8.10868000       1.58550495      -1.07906630       1.45964969
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.66504257 magmom=-0.0002153 free_energy=-69.66504257 stress="0.01800416831422535 0.002227038632119329 0.0024363553863686487 0.002227038632119329 0.0384997722655572 0.007378367214032438 0.0024363553863686487 0.007378367214032438 0.026246012951433025" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.56526000       1.82258000      -6.24345000       2.26606492      -1.21498528       0.19842824
O       -0.36879000       0.03616000      -2.27176000      -0.48986251      -0.00608109      -1.72464686
O        0.03648000       0.07288000      -5.79169000      -0.17433643      -0.88241246      -0.05683033
O       -3.13740000      -0.72044000      -4.03299000       1.29416786      -0.29710186       0.77562190
O       -0.56364000       3.20614000      -6.29211000      -1.47997981       0.74291420       0.70542355
O       -3.19345000      -4.00188000      -3.80373000       0.19691515       0.77065777       0.28480830
O       -4.26682000       0.23688000      -6.64825000      -0.59208488       2.04729032       0.44147890
O       -4.98820000       2.08176000      -4.65940000       0.35613730      -0.96045923       0.86884877
O       -3.18105000       2.78629000      -6.50855000      -0.55177955      -0.13943538      -0.37035234
Zn      -2.23623000      -1.00971000      -2.13807000      -0.51255578      -1.62203529      -0.88560239
Zn      -1.05626000       0.60864000      -4.31711000       0.00497607      -1.15213992      -1.43567022
Zn      -2.39942000      -4.28314000      -1.91182000       0.26852052       2.75694193       0.69199577
Zn      -2.91437000      -2.38142000      -5.02892000      -0.86208505       0.22956760       0.93333493
Zn      -1.73799000       3.53920000      -8.06750000       0.27590220      -0.27272131      -0.42683823
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.85089053 magmom=0.0001603 free_energy=-69.85089053 stress="0.03163073541461079 0.001122227815995853 -0.0004751245462687506 0.001122227815995853 0.009202303640305373 -0.0026860479014174867 -0.0004751245462687506 -0.0026860479014174867 0.024069795688782532" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.59664000       1.84888000      -6.21398000      -0.72429693       2.15038643      -0.19343202
O       -0.30662000       0.16693000      -2.50827000      -0.00217867      -0.82992925       1.23991048
O        0.04156000       0.09511000      -5.83529000       0.40905215       0.03608860       1.18876896
O       -3.07740000      -0.86967000      -3.96226000       0.64731124       0.48148908       0.36371286
O       -0.64999000       3.24972000      -6.39692000       0.18364196       0.85162654       1.08956354
O       -2.16614000       1.96232000      -3.79929000       0.57480743       0.38047966       0.26500077
O       -4.31213000       0.32488000      -6.52257000      -0.17784959      -1.07215471      -0.37541612
O       -5.02512000       2.08185000      -4.58580000       0.67066175      -0.60699782      -0.53144501
O       -3.28248000       2.73494000      -6.72547000       0.43502136       0.27819854       0.61197647
Zn      -2.30389000      -1.06802000      -2.15310000      -0.11999778       0.54978760      -1.10783592
Zn      -0.97967000       0.57902000      -4.32272000      -0.60756605      -0.45276365      -0.50558324
Zn      -2.30095000      -4.05410000      -1.86310000      -1.28039609      -1.83332735      -1.20156387
Zn      -2.95534000      -2.44691000      -5.00554000      -0.18974225      -0.17012807       0.22615861
Zn      -1.73556000       3.43259000      -8.04482000       0.18153146       0.23724442      -1.06981551
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.53522258 magmom=-0.0002299 free_energy=-69.53522258 stress="0.018907124006636862 0.005344209389177476 0.003015795404371438 0.005344209389177476 0.033525530389514474 -0.0006218476084756011 0.003015795404371438 -0.0006218476084756011 -0.0007850763165998134" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.63638000       1.94073000      -6.21896000       0.94408841      -1.80222089       0.15500134
O       -0.28852000       0.13988000      -2.50464000      -1.26617768       0.19098944       0.80613672
O        0.15759000       0.13311000      -5.67118000       1.36272962       0.33561908      -1.53660238
O       -2.90136000      -0.90191000      -3.87645000      -0.50398821       1.00146727      -1.74991166
O       -1.76889000      -2.50835000      -6.36816000       0.94618949      -0.64676880      -0.76058144
O       -3.14251000      -4.01626000      -3.84799000       0.59314820      -0.59523758       0.72817846
O       -4.42219000       0.35141000      -6.46825000      -0.21373745       0.72094642      -0.63319893
O       -4.93356000       1.97038000      -4.55186000       0.15995734       0.64500107      -0.33951228
O       -3.28821000       2.75388000      -6.79271000       0.45833130       0.16656105       0.85529866
Zn      -2.36383000      -1.11456000      -2.20607000       0.77552893       0.31069151       2.48751324
Zn      -0.94915000       0.52913000      -4.35146000      -1.87863258       0.42236424       1.27552241
Zn      -2.28095000      -3.93235000      -1.88225000      -1.68976215      -1.84223402      -1.08709633
Zn      -3.00768000      -2.50812000      -4.96903000      -0.09069079       0.42594652       0.02105226
Zn      -1.72020000       3.34886000      -8.07372000       0.40301557       0.66687468      -0.22180007
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.55866723 magmom=-0.0001488 free_energy=-69.55866723 stress="0.03406326621639841 0.015379500811649842 0.0030352176887787977 0.015379500811649842 0.037119008284058466 0.010070918767959096 0.0030352176887787977 0.010070918767959096 0.026971402022095966" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.62230000       1.96689000      -6.22461000      -0.31940046      -1.37928285      -0.31736631
O       -0.50640000       0.12720000      -2.27407000       1.29553910      -0.21986528       0.23576312
O        0.48334000       0.29296000      -5.68922000      -1.66565217      -1.41094949       0.20509581
O       -2.79185000      -0.73017000      -4.05670000       0.02202531      -0.46486217       0.65031015
O       -1.66230000      -2.41733000      -6.36678000      -1.58876201      -1.29240344       0.33991881
O       -2.94057000      -4.04392000      -3.72396000      -0.79986839       1.46638277      -1.71555491
O       -4.56712000       0.38262000      -6.58161000       0.44779305       1.13702195      -0.35248285
O       -4.79777000       1.99201000      -4.56080000       0.10948621       0.31053992       0.12203284
O       -3.19290000       2.81485000      -6.66780000      -0.30166186      -0.28306071       0.21011525
Zn      -2.38953000      -1.12997000      -2.15922000       0.58188170       1.43357043      -0.20174045
Zn      -0.99991000       0.48365000      -4.34125000       0.84465655      -1.21390940      -0.78781198
Zn      -2.35093000      -3.92445000      -1.96442000       0.32665281       0.46548638       1.82622013
Zn      -3.06086000      -2.55030000      -4.93461000       0.86396439       0.58190672      -0.73483544
Zn      -3.91980000       0.72855000      -3.28116000       0.18334578       0.86942517       0.52033583
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.40114647 magmom=-0.000268 free_energy=-69.40114647 stress="0.0203890597303116 0.012115043022103247 0.002144524046471469 0.012115043022103247 0.014287181477264507 0.022356585750274355 0.002144524046471469 0.022356585750274355 0.03024558806494351" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.61087000       1.94392000      -6.22591000       0.68217655       1.51110069       1.94086652
O       -0.54882000       0.12250000      -2.02587000       0.28012341       0.82141003      -1.02385531
O        0.49910000       0.16403000      -5.72764000      -1.94469358      -0.48209036       0.27083099
O       -2.69528000      -0.62669000      -4.15809000      -0.33219858      -1.12513836       0.98763058
O       -1.79615000      -2.58645000      -6.36265000       0.81786310      -0.01786090      -1.33105891
O       -2.83169000      -3.87984000      -3.84501000       0.39968574      -2.38741456       1.80877462
O       -4.60952000       0.48350000      -6.82058000       0.65552293      -1.18764139      -0.27013791
O       -4.62918000       2.07501000      -4.52333000      -0.38168419      -1.04153210      -0.43618760
O       -3.15336000       2.82239000      -6.50826000      -1.01920471      -0.41204284      -1.17552407
Zn      -2.37938000      -1.06888000      -2.09598000       0.72072231       0.98888904       0.12055463
Zn      -1.02691000       0.38191000      -4.35795000       0.71968121       0.18001245      -0.49312171
Zn      -2.43080000      -3.90837000      -1.96651000      -0.23206934      -0.47973472       0.79734870
Zn      -3.07627000      -2.54846000      -4.94634000      -0.08761017       2.64429166      -1.57492144
Zn      -3.86832000       0.73131000      -3.30048000      -0.27831467       0.98775135       0.37880091
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.53607363 magmom=0.0001293 free_energy=-69.53607363 stress="-0.009557227038024198 0.0069247974074544685 0.009475922487509062 0.0069247974074544685 0.008576111947719666 0.002223543187280542 0.009475922487509062 0.002223543187280542 -0.005584798120154918" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.58449000       1.93413000      -6.16390000      -0.67060273      -1.26397394      -2.25533868
O       -0.47757000       0.26406000      -1.94181000       0.62460293      -0.68096452      -0.00918476
O        0.12818000      -0.03383000      -5.68709000       1.84498494       2.10029577      -0.91323907
O       -2.67340000      -0.77163000      -4.04699000      -0.42112971      -0.62172062       0.36658325
O       -0.79928000       3.23111000      -6.47220000      -0.07531746       2.18679939       1.70689330
O       -2.69239000      -4.01779000      -3.80874000      -0.58638089       0.62225197      -0.91278084
O       -4.51721000       0.53438000      -7.07213000      -0.05094990       1.42878072       1.84474722
O       -4.54054000       1.96979000      -4.48458000      -0.88399424      -0.23084480      -0.22903554
O       -3.24355000       2.81205000      -6.56935000       0.26063728       0.73554181      -0.28491992
Zn      -2.32137000      -0.95688000      -2.02254000       1.44113257      -2.40699320       0.27908828
Zn      -1.02084000       0.27208000      -4.39853000      -1.54453751       0.92071014       1.92232778
Zn      -2.52868000      -3.92699000      -1.92349000      -0.38032718      -2.15347459      -1.39266522
Zn      -3.08088000      -2.43556000      -5.02428000       0.55988338      -0.57952997       0.50381086
Zn      -3.82277000       0.78787000      -3.30302000      -0.11800148      -0.05687816      -0.62628666
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9135833 magmom=-0.0003529 free_energy=-69.9135833 stress="-0.008479468077131487 0.011216736448835841 -0.0046166257227662575 0.011216736448835841 -0.009684836208789599 0.008805260341993876 -0.0046166257227662575 0.008805260341993876 -0.0105454594772227" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.57237000       1.92779000      -6.19400000       1.53396209       1.42608347      -0.38471389
O       -0.38496000       0.29307000      -1.92331000      -1.55133896      -0.14273206      -0.69158872
O        0.08619000       0.11189000      -5.83053000       0.08014970      -1.58234982       1.05025916
O       -2.72682000      -0.97590000      -3.85262000       0.24825989       1.44677594       0.08365336
O       -1.86085000      -2.60844000      -6.47058000       0.41242856      -0.43470548      -0.30656896
O       -1.61509000       1.93774000      -3.81126000      -0.93459088       0.83293094      -0.39142626
O       -4.42941000       0.61314000      -7.06889000      -0.09717050      -1.33370461      -0.10101485
O       -4.64924000       1.81766000      -4.51642000      -0.77596383       0.42670073      -0.89462582
O       -3.29431000       2.91865000      -6.66981000       0.09435322       0.01298767       0.78776834
Zn      -2.21263000      -0.94646000      -1.94494000       0.05736833       0.81064364      -0.30890611
Zn      -1.07809000       0.21683000      -4.35372000      -0.24382744      -0.01957466      -0.04717065
Zn      -2.62504000      -4.02629000      -1.93779000       1.03311144       0.93296464      -0.38897470
Zn      -3.06771000      -2.35892000      -5.07576000      -0.42816463      -1.38804030       0.99514616
Zn      -3.78635000       0.83112000      -3.32090000       0.57142302      -0.98798009       0.59816293
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.13141495 magmom=-0.0002922 free_energy=-70.13141495 stress="-0.0028615629765654364 -0.009592012316548717 -0.00037093700674726513 -0.009592012316548717 0.018679140221791957 0.0044042246019522 -0.00037093700674726513 0.0044042246019522 0.016050753709762285" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.51913000       1.97172000      -6.28103000      -1.14682625       0.08838642      -0.04084703
O       -0.51155000       0.22846000      -2.03936000       1.44634526      -0.58414955      -0.76757255
O        0.13757000      -0.01743000      -5.81169000      -0.60991750       0.54900766       1.15578750
O       -2.75127000      -0.89340000      -3.71465000      -0.15625634       0.12884729      -1.25481340
O       -1.83481000      -2.52504000      -6.41320000      -0.45612717      -1.19788812      -0.50592113
O       -1.80198000       2.03479000      -3.95948000      -0.50988926      -0.98057550       0.85481880
O       -4.36800000       0.52994000      -7.01119000       0.31972186       0.78696648       0.19158393
O       -4.85560000       1.74256000      -4.64942000       0.87427259      -0.12469655      -0.05233690
O       -3.27147000       3.06905000      -6.61804000      -0.58061522      -0.60837859       0.31635607
Zn      -2.10785000      -0.92194000      -1.88281000      -0.48178839      -1.00823872       1.15590471
Zn      -1.15350000       0.18209000      -4.29826000       0.72427230       0.51948231      -1.02053348
Zn      -2.64521000      -4.06343000      -1.98068000       1.73433038       1.95475710      -0.86086422
Zn      -3.07490000      -2.35946000      -5.06194000      -0.55763236       0.03169523       1.38501580
Zn      -3.73705000       0.82913000      -3.32219000      -0.59988990       0.44478455      -0.55657810
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.42187734 magmom=-0.0003194 free_energy=-70.42187734 stress="-0.01361337380463666 -0.0034693876117256597 0.010311588332721227 -0.0034693876117256597 0.035816596725363976 -0.0024875111384473902 0.010311588332721227 -0.0024875111384473902 0.0167261909717663" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52882000       2.01673000      -6.35206000       0.20959471      -2.62227284       0.24353389
O       -0.44526000       0.11133000      -2.34266000      -0.17257486       0.60280144      -0.19108840
O        0.08452000      -0.13191000      -5.54731000       0.91597245       0.84368976      -2.13892919
O       -2.79754000      -0.80177000      -3.81762000      -0.02779771      -1.45886480      -0.05223292
O       -0.78207000       3.32606000      -6.37729000       0.61347899       0.29395522       0.85370811
O       -2.09522000       1.95638000      -3.92265000       0.59593072       0.19352996       0.64353939
O       -4.22372000       0.51850000      -6.96021000       0.32825718       1.53759042      -0.14310266
O       -4.90016000       1.66646000      -4.77192000       0.11327981       0.48322431       0.58996318
O       -3.31246000       3.13769000      -6.51524000      -0.08875536       0.08022148      -0.06027388
Zn      -2.03976000      -0.93347000      -1.77620000      -0.93048959      -1.46460983       0.57671670
Zn      -1.19263000       0.17454000      -4.29666000      -0.32781011       0.45130303      -0.09812445
Zn      -2.57781000      -3.99935000      -2.06408000      -0.11814797       0.44539645       0.19260074
Zn      -3.11011000      -2.36444000      -4.97605000       0.17658724       0.03438815       0.10545794
Zn      -3.72226000       0.84957000      -3.34970000      -1.28752549       0.57964725      -0.52176845
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.19361789 magmom=-0.0003092 free_energy=-70.19361789 stress="0.014600038776199325 -0.003250938499776167 -0.002097476649186167 -0.003250938499776167 0.010996897377770052 -0.005046870185861597 -0.002097476649186167 -0.005046870185861597 0.01885895185195802" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.55017000       1.97058000      -6.38724000       0.87350241       2.05865001       0.34174864
O       -0.33637000       0.08326000      -2.62481000       0.15317892      -0.31353919       1.84159790
O        0.16942000      -0.04842000      -5.65494000      -0.26271173      -1.04957417       0.10163548
O       -2.84087000      -0.91594000      -3.91089000       0.36601689       1.71699166       1.32806499
O       -0.67802000       3.22600000      -6.27424000       0.10078696       0.63847203      -0.03630195
O       -2.21751000       1.91632000      -3.77950000       1.23688864       0.79491946      -1.01644113
O       -3.98695000       0.63576000      -7.01843000       0.57227470      -0.92727236      -0.58702457
O       -4.91386000       1.67880000      -4.77447000      -0.61211084       0.08530662      -0.29591657
O       -3.37341000       3.20714000      -6.42102000      -0.57337344      -0.82007681      -0.05972772
Zn      -2.02515000      -1.01615000      -1.64697000      -0.46751651       1.39647635      -0.93803913
Zn      -1.23815000       0.18762000      -4.31566000      -0.19075922      -0.27781204      -1.15333929
Zn      -2.51582000      -3.91493000      -2.13253000      -0.45254393      -0.47992682       1.04169844
Zn      -3.13976000      -2.37877000      -4.89704000       0.02722217      -1.70138070      -1.53193251
Zn      -3.77875000       0.88573000      -3.39275000      -0.77085502      -1.12123404       0.96397741
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00283069 magmom=-1.86e-05 free_energy=-70.00283069 stress="0.030443456062693785 -0.020834407759197284 -0.015100946453655804 -0.020834407759197284 0.01242349976375339 0.005186395227669022 -0.015100946453655804 0.005186395227669022 0.03170014048428686" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50674000       1.96351000      -6.40867000       1.27155594      -1.55920339       0.15189415
O       -0.27137000       0.02202000      -2.57045000      -1.01770834       0.01315938      -0.29287674
O        0.25121000      -0.15476000      -5.74913000      -0.21023036       1.22746355       2.17727906
O       -2.83608000      -0.79029000      -3.77520000      -0.29781883      -0.81851099      -0.31600227
O       -1.61127000      -2.72823000      -6.23605000      -0.53674139       0.63284382      -0.35766892
O       -2.08938000       1.99925000      -3.82437000      -0.19915680      -1.51848909       0.12089515
O       -3.69302000       0.71297000      -7.13577000      -1.05341663       0.94949746       1.00700575
O       -5.04235000       1.70791000      -4.80582000       0.43851522      -0.59039384      -0.26165692
O       -3.44404000       3.21679000      -6.34593000       1.03534505       1.09851279      -0.07379575
Zn      -2.04183000      -1.02043000      -1.56887000      -0.31326745       1.31033725      -0.77131567
Zn      -1.29239000       0.18958000      -4.38647000       0.87249974      -0.28280679      -0.49284200
Zn      -2.48605000      -3.86704000      -2.15234000      -1.01391248      -1.92822297      -0.49580746
Zn      -3.15948000      -2.45527000      -4.89185000       0.74472386       1.56598266      -0.80787688
Zn      -3.87605000       0.87093000      -3.38965000       0.27961247      -0.10016984       0.41276850
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.69540585 magmom=-8.86e-05 free_energy=-69.69540585 stress="0.04330685463089239 -0.0031050603756257234 0.004217627078234296 -0.0031050603756257234 0.04231182560643691 0.0036534981749248106 0.004217627078234296 0.0036534981749248106 0.0476201269195302" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39460000       1.95182000      -6.41149000      -0.64081543       1.99601921       0.09413337
O       -0.33112000      -0.10167000      -2.46215000       1.03200756      -0.36058647       0.04236137
O        0.25351000      -0.15398000      -5.45004000      -0.07835277       0.64408796      -2.28973281
O       -2.88433000      -0.77463000      -3.64337000       0.02259121      -1.04754411      -0.50689018
O       -1.57002000      -2.51774000      -6.18283000      -0.77935717      -0.59649665      -0.15035528
O       -1.96411000       1.83665000      -3.90934000      -0.74607574       1.15670963       0.27983398
O       -3.45832000       0.84827000      -7.14818000      -0.56295012      -0.20296697       0.41158612
O       -5.08286000       1.59075000      -4.89892000       1.38315885      -0.52050520       0.35994881
O       -4.44769000      -2.62509000      -6.35381000      -1.02832390      -1.03328994      -0.82976262
Zn       0.15412000       1.64982000      -6.36612000      -0.00816071      -0.04663515      -0.37754453
Zn      -1.31384000       0.16490000      -4.50874000      -0.22735783      -1.23488762       0.77241342
Zn      -2.49880000      -3.90285000      -2.17270000       0.26052972       0.32965020       1.18940979
Zn      -3.13965000      -2.47913000      -4.93753000       0.87170625       1.06372151       0.72622941
Zn      -3.98571000       0.83727000      -3.35231000       0.50140007      -0.14727640       0.27836916
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.68601179 magmom=-0.0002298 free_energy=-69.68601179 stress="0.028586952003537815 -0.0049380632242964255 0.004139900160750117 -0.0049380632242964255 0.03965658548823084 0.008396025341627554 0.004139900160750117 0.008396025341627554 0.03893328648052134" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30006000       2.03131000      -6.39259000      -0.75783051      -1.74013244       0.98418549
O       -0.26803000      -0.30202000      -2.37542000      -0.36530249       0.59143407      -0.76860434
O        0.26045000       0.03242000      -5.53989000      -0.38082705      -0.56901062      -1.49033625
O       -2.94355000      -0.98060000      -3.60159000       0.55258696       0.97670094      -0.18954835
O       -1.67548000      -2.38817000      -6.19003000       0.34793776      -1.08972622      -1.09437002
O       -1.97284000       1.81296000      -3.92967000      -0.13959462       0.33583232       0.31711726
O       -3.30906000       0.95611000      -7.07795000      -0.14998169      -0.18944360      -0.37394210
O       -4.81884000       1.33188000      -4.92994000       0.28434655       1.00230052      -0.21547593
O       -4.49368000      -2.53039000      -6.43280000       0.33581510       0.67075894      -0.12339882
Zn       0.10016000       1.77019000      -6.34638000       0.05407570      -0.14492917      -0.84907699
Zn      -1.35750000       0.06907000      -4.61063000      -0.88784883      -0.45524657       1.46764197
Zn      -2.50782000      -3.93799000      -2.14445000       0.46935496       1.16068713       0.07295270
Zn      -3.07344000      -2.43687000      -4.95568000      -0.77312437       0.17809035       1.57916236
Zn      -1.84675000       3.35740000      -8.12490000       1.41039254      -0.72731565       0.68369301
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.37063044 magmom=-0.0001001 free_energy=-69.37063044 stress="0.04840012971933138 -0.006937562972582854 -0.00903527019559915 -0.006937562972582854 0.02666457662368606 0.005294270007363224 -0.00903527019559915 0.005294270007363224 0.024174065272941477" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25562000       2.04187000      -6.34449000       1.27656344      -0.63059936      -2.88436286
O       -0.21916000      -0.38720000      -2.41225000       0.36546980       0.44066480       0.31789810
O        0.20503000       0.08381000      -5.91616000      -1.02419523      -0.07096858       1.98318615
O       -2.89449000      -0.98930000      -3.61499000       0.44702577       1.11276360      -0.43451199
O       -1.75112000      -2.47054000      -6.37997000      -0.57693727       0.59209756       0.32532423
O       -2.01355000       1.87528000      -3.89416000       0.67169936      -0.55998544      -0.33463162
O       -3.18768000       1.00439000      -7.09218000      -1.04709457       1.03604250       0.22440152
O       -4.51655000       1.25956000      -4.93444000      -1.03690766       0.60783519       1.00648986
O       -4.52806000      -2.39160000      -6.54575000      -0.13601754      -1.15332996       0.61184922
Zn       0.05264000       1.87443000      -6.37282000       0.66222295      -1.63018078      -0.89160473
Zn      -1.44423000      -0.04397000      -4.63215000       0.44048779       1.04593441       0.61685655
Zn      -2.49427000      -3.91491000      -2.11575000      -0.20938840       0.09240507      -1.58905715
Zn      -3.04032000      -2.38715000      -4.89966000      -0.68694729      -0.62921860       0.29412148
Zn      -1.87170000       3.27222000      -8.02554000       0.85401887      -0.25346041       0.75404122
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.73828523 magmom=-0.0002889 free_energy=-69.73828523 stress="0.0044188813505872376 -0.005071181506782352 0.0011615602086808333 -0.005071181506782352 0.007884090321885192 -0.005552839764668223 0.0011615602086808333 -0.005552839764668223 0.020215517377745525" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.19268000       2.01879000      -6.40352000      -1.52305206       0.35407288       2.13167047
O       -0.15450000      -0.36237000      -2.41614000      -0.67746467       0.05737397       0.00842092
O       -0.06721000       0.11679000      -5.84334000       0.04717368      -0.33330559       0.54265781
O       -2.80081000      -0.82080000      -3.69136000      -1.44045889      -1.53351813       0.74740291
O       -1.88201000      -2.44343000      -6.46278000       0.91604683       0.45263916       1.67397952
O       -1.89941000       1.84070000      -3.93037000       0.74249956       0.56429035      -0.13822590
O       -3.15296000       1.09406000      -7.17363000       1.01335342      -1.27681029      -1.07745765
O       -4.44168000       1.39012000      -4.83730000      -0.33856457       0.71988820      -1.06044140
O       -4.55481000      -2.43815000      -6.51386000       0.16979607       0.07203530       0.50756172
Zn       0.04605000       1.88605000      -6.44484000       0.68100256      -1.00169484      -0.41431334
Zn      -1.48716000      -0.08264000      -4.62239000       1.81179824       2.01914635      -0.58735506
Zn      -2.49207000      -3.88960000      -2.17665000      -0.36770989       0.17752218      -0.95301227
Zn      -3.05179000      -2.37671000      -4.82587000      -0.38047121      -0.79446528       0.11357675
Zn      -1.85126000       3.18584000      -7.90993000      -0.65394905       0.52282575      -1.49446448
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.55442985 magmom=-0.0004317 free_energy=-69.55442985 stress="0.025362542320527665 -0.01058544679146026 0.004138324142246777 -0.01058544679146026 0.02268961747915677 0.01836833778369911 0.004138324142246777 0.01836833778369911 0.022826021429359758" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.18038000       1.98419000      -6.41773000       0.05145838       0.59373026      -1.26694570
O       -0.20569000      -0.31758000      -2.38572000       0.41380342      -0.19227992       0.28201639
O       -0.17231000       0.15058000      -5.75071000       1.78707716      -1.06200310      -2.06590636
O       -2.92141000      -0.87076000      -3.65945000       0.52974880       0.47108056       0.09581783
O       -1.85349000      -2.31017000      -6.26838000       0.94974435      -0.83496908      -1.19504346
O       -1.62050000       1.88731000      -4.01094000      -0.04900868      -0.41411338      -0.08172044
O       -3.07017000       1.07049000      -7.35931000      -1.72798483       1.00958735       1.62531827
O       -4.46162000       1.63276000      -4.83514000       0.05405886      -1.33261955       0.73106190
O       -4.53589000      -2.47072000      -6.35380000       0.00944809      -0.40101964      -0.51822249
Zn      -2.15871000      -0.74434000      -1.70686000       0.24226072       0.30881026       0.37451212
Zn      -1.48949000      -0.02833000      -4.59629000      -0.88361903       0.39612910       1.16770560
Zn      -2.51713000      -3.85950000      -2.29287000      -0.33593469       0.79861580       1.66830072
Zn      -3.09038000      -2.41002000      -4.74467000      -0.46420771      -0.20411257      -0.65081677
Zn      -1.85605000       3.12268000      -7.85112000      -0.57684483       0.86316392      -0.16607761
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.19917611 magmom=-8.6e-06 free_energy=-69.19917611 stress="0.021589018090108436 -0.005293020001606055 -0.011192698337494054 -0.005293020001606055 -0.006559370654623898 -0.0008760274065784196 -0.011192698337494054 -0.0008760274065784196 0.033871426960969425" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21658000       1.99365000      -6.42763000      -1.03782061       1.24777137       3.25311156
O       -0.20656000      -0.30703000      -2.32508000      -0.19315151       0.12936792      -0.70483088
O        0.10291000       0.00354000      -6.01577000      -0.49873954       1.56218990       2.70150709
O       -2.98644000      -0.88738000      -3.60631000       0.57509561       0.05708786      -0.95732437
O       -1.63409000      -2.34957000      -6.26046000      -0.93173427      -0.98400855      -0.83344335
O       -1.31610000       1.87178000      -4.10959000      -0.29972376       0.39227922       0.20329125
O       -3.22084000       1.11872000      -7.33552000       0.51174570      -1.17611099      -0.43911077
O       -4.45688000       1.61999000      -4.77641000       0.29456433      -0.96335210      -0.68417184
O       -4.46896000      -2.51136000      -6.29395000       0.27644487       0.19445973      -0.81624797
Zn      -2.10635000      -0.79004000      -1.78804000       0.13033566       0.15992806       1.35823630
Zn      -1.52392000       0.05738000      -4.51578000       1.33496036      -0.35302659      -1.20123737
Zn      -2.56259000      -3.79430000      -2.34724000      -0.17132608      -1.37808495      -0.85655909
Zn      -3.15261000      -2.45968000      -4.69702000       0.44171695      -0.09463277      -1.15900471
Zn      -1.89756000       3.11178000      -7.81147000      -0.43236771       1.20613191       0.13578414
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.3365599 magmom=-0.0001006 free_energy=-69.3365599 stress="0.03254159977940929 -0.0011086545558960138 -0.004463500407607496 -0.0011086545558960138 0.01219619142254307 0.008530545835312191 -0.004463500407607496 0.008530545835312191 0.03749048407659801" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29257000       2.05622000      -6.29637000       0.96102530      -1.49916645      -2.17734802
O       -0.21690000      -0.26513000      -2.37947000       0.74602600       0.34863865       0.65958922
O        0.24116000       0.01804000      -5.83284000      -1.60797348      -0.55539745      -0.29461879
O       -2.92806000      -0.87263000      -3.74611000      -0.13476309      -0.12315838      -0.13610107
O       -1.58209000      -2.56307000      -6.47206000      -0.94121234       1.49521522      -0.25020984
O       -1.07059000       1.94051000      -4.16631000      -0.87269223       0.74869083       0.56890162
O       -3.40291000       1.03390000      -7.26349000      -0.55110807       0.63517544       1.04441991
O       -4.40349000       1.37257000      -4.78417000      -0.34474107       0.49044308       0.36883893
O       -4.34369000      -2.51242000      -6.39110000      -0.98307083      -0.12755823       0.59290400
Zn      -2.04220000      -0.83320000      -1.80287000       0.01434346      -1.36393869       0.84441894
Zn      -1.48461000       0.13132000      -4.49484000       1.39848939      -0.35986732      -1.05703068
Zn      -2.61294000      -3.77022000      -2.41107000       0.74142153       0.13058818       1.42129753
Zn      -3.19598000      -2.51534000      -4.71400000       1.00433064       0.31324234      -0.91970673
Zn      -1.96442000       3.16241000      -7.76469000       0.56992481      -0.13290722      -0.66535501
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.08726061 magmom=-0.0002888 free_energy=-69.08726061 stress="0.0016705163870532494 0.005224036770565764 -0.003256192152769678 0.005224036770565764 0.028981369399095906 0.00015415077638361707 -0.003256192152769678 0.00015415077638361707 0.012985336891017503" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.32672000       2.04932000      -6.22315000       0.89963144      -1.59414494      -0.79677139
O       -0.17985000      -0.14115000      -2.33813000      -0.96532659       0.09615822       0.52647612
O        0.07103000      -0.01799000      -5.65868000       0.39346673      -0.30994985      -2.06280983
O       -2.86992000      -0.87652000      -3.92441000       0.17661095       0.31142389       0.87504322
O       -0.61531000       3.46432000      -6.64486000       1.22366850       0.17418012       1.50281497
O       -0.99013000       2.14283000      -4.10101000      -0.14617824      -1.20040991       0.06918455
O       -3.58063000       0.91935000      -7.11648000       0.52516896       0.40541440      -0.18550080
O       -4.43193000       1.23843000      -4.75384000      -0.81160688       1.38801813       0.03489666
O       -4.40737000      -2.50689000      -6.36961000      -0.69163875      -0.53572317       0.54529548
Zn      -1.97922000      -0.93309000      -1.76892000      -0.60081279       0.38521627      -0.10181236
Zn      -1.37208000       0.18455000      -4.52902000      -0.64508883       0.00746222       0.64643697
Zn      -2.63060000      -3.75025000      -2.41052000       0.42974509       0.10750515       1.79826274
Zn      -3.18883000      -2.55002000      -4.78846000       0.58357721       1.33421958      -1.04237331
Zn      -2.01379000       3.21373000      -7.76277000      -0.37121680      -0.56937011      -1.80914300
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.20100326 magmom=-0.0001668 free_energy=-69.20100326 stress="0.02157517441038421 -0.017059845416014203 -0.003054298681225645 -0.017059845416014203 0.010224474503828686 -0.010794369275819607 -0.003054298681225645 -0.010794369275819607 -0.006811486073583331" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34709000       1.94909000      -6.21084000      -1.86846616       1.17176575       0.37881082
O       -0.28663000      -0.01633000      -2.15379000       0.66596882      -1.05511643       0.04257704
O       -0.03426000      -0.10475000      -5.87177000       1.15282461       2.09362692       2.71810386
O       -2.79231000      -0.83273000      -3.92462000      -0.11364610      -0.14161242       0.50071224
O       -1.65908000      -2.48075000      -6.68724000      -1.49627701      -1.17877974       0.64305379
O       -0.98264000       2.12034000      -4.02807000      -0.54234058      -0.39772941      -0.61803766
O       -3.59375000       0.81881000      -7.05760000       0.59376051      -0.25713471      -0.64483567
O       -4.65075000       1.38507000      -4.67148000      -0.46253998       0.46415145      -0.51655329
O       -4.58202000      -2.55469000      -6.21858000       0.73859565      -0.41550993      -0.57527087
Zn      -1.94458000      -1.01780000      -1.73925000      -0.64507306       2.02711163      -0.96422022
Zn      -1.28402000       0.24197000      -4.52809000      -0.89260398      -0.12820646       0.96183462
Zn      -2.61961000      -3.73062000      -2.32480000      -0.19822723      -2.47758723      -2.51367715
Zn      -3.13475000      -2.51395000      -4.91976000       1.68295188       0.97304964       0.08483793
Zn      -2.05977000       3.23570000      -7.84694000       1.38507263      -0.67802905       0.50266457
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.46381633 magmom=-0.0003405 free_energy=-69.46381633 stress="0.017056881722786903 -0.016902170552506417 -0.006692760299202089 -0.016902170552506417 0.02004143142718364 0.016170124400556974 -0.006692760299202089 0.016170124400556974 0.012656496953422528" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43990000       1.88556000      -6.19156000       2.19213827      -0.10077641       0.21020942
O       -0.35008000      -0.05965000      -2.01655000      -0.21087156       0.53556644      -1.94167539
O        0.10210000       0.01191000      -5.75767000      -0.25167929      -1.87231095      -0.14042214
O       -2.73485000      -0.81087000      -3.81167000      -0.28486788      -0.25249335      -0.10816092
O       -0.79005000       3.39707000      -6.45105000       1.06530481       0.45925944      -1.46634189
O       -1.08373000       2.04554000      -4.04107000      -0.52673492       1.46921576       0.59141814
O       -3.52804000       0.74966000      -7.07237000      -1.56371371       1.54134447       1.41081864
O       -4.95799000       1.60240000      -4.61618000       0.75331135      -1.07180062       0.57861294
O       -4.60462000      -2.67027000      -6.17879000       0.12489292      -0.52724903      -0.54145347
Zn      -1.95147000      -0.98756000      -1.76564000      -1.64803481       1.28572624      -0.95514954
Zn      -1.25873000       0.28201000      -4.47141000      -0.67032527      -1.51857391      -0.05472709
Zn      -2.61311000      -3.80865000      -2.31421000      -0.09778193      -0.19794930       0.91333011
Zn      -2.99819000      -2.42163000      -5.04558000       0.31368804       0.73657935       1.75625828
Zn      -2.04224000       3.22033000      -7.92328000       0.80467398      -0.48653814      -0.25271708
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.01981714 magmom=-0.0002937 free_energy=-70.01981714 stress="0.01840181301939018 -0.0015000175191671355 0.0012685850695943446 -0.0015000175191671355 0.0181647235468136 -0.005521417161600365 0.0012685850695943446 -0.005521417161600365 0.010735302866553975" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.48225000       1.87325000      -6.12908000      -1.56670378       2.76092528       0.65013017
O       -0.34943000      -0.05486000      -2.22766000       0.97994931      -0.33230021      -0.04090224
O        0.17986000      -0.11505000      -5.63129000      -0.76308903       0.46870970      -1.39410971
O       -2.75590000      -0.84282000      -3.75299000      -0.40511301       0.09268768      -0.73520526
O       -0.78923000       3.36028000      -6.56750000       0.66351941       0.94413856       0.25850260
O       -2.33895000      -3.82792000      -4.06854000      -0.10488537      -0.95931423      -0.51240290
O       -3.64586000       0.80468000      -6.93819000       0.48356379      -1.88334285      -0.42048198
O       -5.06268000       1.59994000      -4.52829000       0.82237639      -0.46302702      -0.72335789
O       -3.46821000       3.21112000      -6.17443000       0.10995555       0.25276509       0.24551531
Zn      -2.03260000      -0.90851000      -1.82501000      -0.65849552      -1.76013940       0.74293998
Zn      -1.26465000       0.25723000      -4.42109000       0.48823202       0.15676572      -0.12990896
Zn      -2.61377000      -3.90124000      -2.27424000       0.37549239       0.66839651       1.79078224
Zn      -2.86425000      -2.30340000      -5.06533000      -0.35561396       0.42859535       0.86600320
Zn      -1.98552000       3.18213000      -7.99794000      -0.06918818      -0.37486017      -0.59750455
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.13614266 magmom=0.0001583 free_energy=-70.13614266 stress="0.017478703899709284 -0.011258002698225366 -0.009758179920384469 -0.011258002698225366 0.013938070004322959 -0.006109837631454221 -0.009758179920384469 -0.006109837631454221 0.012402569774160072" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.54026000       1.95838000      -6.09156000       2.55959880      -1.17026324      -2.35425500
O       -0.22667000      -0.08857000      -2.43617000      -1.08714668      -0.07555573       0.56590817
O        0.10844000      -0.11854000      -5.76902000      -0.20622362       1.70458597       0.54250402
O       -2.84485000      -0.82951000      -3.81259000       0.21261423       0.69165422       0.43576369
O       -0.67322000       3.47020000      -6.65221000      -1.37792479      -0.91230929       1.33317318
O       -2.51604000      -3.87359000      -4.09546000       0.10439547      -0.36823433       0.04286889
O       -3.77390000       0.66766000      -6.78385000      -0.72755399       1.00551427       0.83723323
O       -5.02191000       1.51375000      -4.55431000      -0.80933965       0.66474091      -0.03764091
O       -3.37395000       3.18890000      -6.17852000      -0.32387879      -0.07094634       0.17652568
Zn      -2.13690000      -0.92410000      -1.84297000       0.07549793      -0.93594597       0.36960242
Zn      -1.24983000       0.23936000      -4.38914000       0.61229302       0.50442163      -0.34978678
Zn      -2.59122000      -3.93991000      -2.17236000       1.10868697       0.76813752      -1.35369664
Zn      -2.77889000      -2.19562000      -5.03543000      -0.31048929      -1.60835881      -0.75328924
Zn      -1.93538000       3.12897000      -8.07733000       0.16947039      -0.19744083       0.54508928
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.81086416 magmom=-0.0002007 free_energy=-69.81086416 stress="0.011698939278392946 0.007785672982652476 0.017911038837697665 0.007785672982652476 -0.002262217650005544 -0.003858174030097544 0.017911038837697665 -0.003858174030097544 0.007813555102151695" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50262000       2.00224000      -6.16484000      -0.86945540      -1.56715623       0.83072840
O       -0.29793000      -0.14110000      -2.48455000       0.06388021       0.23155181       0.77070926
O       -0.01649000       0.10862000      -5.81191000       0.33551061      -3.02208720       0.85365329
O       -2.86873000      -0.73440000      -3.82654000       0.86262204      -1.04437444      -0.17182318
O       -1.82595000      -2.56387000      -6.55598000       1.42636477      -0.25725848      -1.39090893
O       -1.59542000       2.04090000      -4.01801000      -0.05672406       1.19529456       0.92602836
O       -3.92500000       0.55496000      -6.57642000       0.73347384       0.43626635      -0.78124727
O       -5.10733000       1.58997000      -4.61901000       0.27928203       0.85301546      -0.00681324
O       -3.31483000       3.19752000      -6.15063000      -0.64619323      -0.29577493      -0.60756347
Zn      -2.22777000      -0.97191000      -1.84634000       0.24475721       2.77018016      -1.31098989
Zn      -1.20265000       0.24549000      -4.37579000       0.02260528       0.06264406       0.31992159
Zn      -2.52095000      -3.93725000      -2.13693000      -0.23308060      -0.03371807      -1.04592950
Zn      -2.72547000      -2.17478000      -5.03133000      -1.24008013      -1.05731120       1.36663107
Zn      -1.89126000       3.08234000      -8.12707000      -0.92296258       1.72872817       0.24760352
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.77166605 magmom=-0.0002077 free_energy=-69.77166605 stress="0.021639285725370636 -0.0021333673551504617 0.006973892182012297 -0.0021333673551504617 0.007912151641352923 -0.01698799238276839 0.006973892182012297 -0.01698799238276839 -0.009545097276705938" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.51965000       1.94023000      -6.20779000      -0.53923965       0.62732587       1.04985425
O       -0.40025000      -0.15056000      -2.35763000       0.51704506       0.08388005      -0.54023979
O       -0.04973000      -0.08430000      -5.74273000       0.93809420       1.63560997      -0.26572131
O       -2.73931000      -0.78873000      -3.84803000      -0.81588043       0.68486965       0.12098152
O       -0.65151000       3.34391000      -6.50643000      -1.16911430       1.90246088       0.52545533
O       -2.83846000      -3.85132000      -3.91235000       0.16746468      -0.99112948      -1.76642843
O       -3.91913000       0.48124000      -6.52478000       0.31831482       0.01855510      -0.49976706
O       -5.15981000       1.88476000      -4.65656000       0.91250938      -0.84954733       0.91158281
O       -3.35662000       3.18075000      -6.27139000      -0.11247889      -0.54957628      -0.79322797
Zn      -2.32360000      -0.92357000      -1.89966000       1.07887441      -2.71848939       0.93262900
Zn      -1.14369000       0.27234000      -4.33236000      -0.43156820       1.05537024       0.70564439
Zn      -2.43534000      -3.93425000      -2.16371000      -0.29771481      -0.82027898       0.53647437
Zn      -2.72924000      -2.23750000      -4.96961000      -0.43744225      -1.43222051      -1.03308635
Zn      -1.88277000       3.12520000      -8.17258000      -0.12886400       1.35317022       0.11584924
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.8686144 magmom=-0.0002583 free_energy=-69.8686144 stress="0.037458560317796395 -0.019288051815766455 -0.008603447947653388 -0.019288051815766455 0.04008787305105582 0.006444254295038082 -0.008603447947653388 0.006444254295038082 0.02574977699986671" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.58121000       1.87068000      -6.17508000       2.25939779      -0.07609346      -0.33308933
O       -0.44746000      -0.13792000      -2.29078000      -0.26643227      -0.14142683      -0.43732994
O        0.12631000      -0.08271000      -5.68199000      -0.18747837       1.29521047      -0.43868847
O       -2.72352000      -0.76515000      -3.87156000      -0.76517385       0.08086666      -0.08143488
O       -1.73283000      -2.48552000      -6.58500000      -0.91478959      -0.74034038       0.53064434
O       -3.03419000      -3.91113000      -3.96746000       0.50797530      -1.37494165       0.25359471
O       -3.83905000       0.42784000      -6.58011000      -1.62000417       1.64621482       0.76734389
O       -4.99570000       2.10595000      -4.52413000       0.66628059      -1.18442004      -0.63418329
O       -3.45793000       3.04295000      -6.65447000      -0.10408377      -0.39514733       0.28765630
Zn      -2.39922000      -0.96474000      -1.93080000       0.47916978      -0.64942883       0.81158441
Zn      -1.08801000       0.36330000      -4.23559000       0.00146511      -0.51654839      -0.93362938
Zn      -2.34103000      -3.97212000      -2.18460000      -0.79288969       0.15539752       0.92532072
Zn      -2.77063000      -2.39244000      -4.92371000       0.20425427       1.26566432      -1.26458081
Zn      -1.88504000       3.27807000      -8.22455000       0.53230887       0.63499312       0.54679173
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.28170967 magmom=-0.0002708 free_energy=-69.28170967 stress="0.026145519605125424 0.006293025013038563 0.002329381818177134 0.006293025013038563 0.007916574274855379 0.016850920041836127 0.002329381818177134 0.016850920041836127 0.016334425493571652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.55951000       1.86486000      -6.16740000      -0.55001502       2.07155267      -1.90634069
O       -0.50619000      -0.15406000      -2.29878000       0.04078988       0.07449488       0.53761680
O        0.25403000       0.14299000      -5.67210000      -0.44270090      -1.71382189      -0.03603340
O       -2.85970000      -0.73514000      -3.89156000       0.04482174      -0.73118217       0.39874150
O       -1.89687000      -2.39785000      -6.51597000       0.98639162      -0.70777061      -0.85567970
O       -2.06095000       1.89084000      -3.95616000       0.23240110       1.82865147       0.88545128
O       -3.96336000       0.46575000      -6.54750000      -0.06276609      -2.02448977      -0.07445313
O       -4.75865000       2.11523000      -4.51870000      -0.78782679       0.93158595      -0.71736251
O       -3.52144000       2.89560000      -6.92464000       0.65407292       0.79003798       0.50357482
Zn      -2.43819000      -1.03660000      -1.92856000      -0.11927977       1.58540082      -1.17606172
Zn      -1.03432000       0.40796000      -4.19553000       0.61765720      -2.39839979      -1.27486199
Zn      -2.30090000      -4.00675000      -2.15732000      -1.39206965       0.31344069       1.19097077
Zn      -2.80525000      -2.48178000      -4.93094000      -0.57336309       1.21447844       0.86999918
Zn      -1.85577000       3.42851000      -8.23398000       1.35188686      -1.23397867       1.65443880
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.18761062 magmom=6.33e-05 free_energy=-70.18761062 stress="0.03165998594129529 -0.004758798599990157 -0.008749270416266957 -0.004758798599990157 0.05165969480859872 0.006093978456086082 -0.008749270416266957 0.006093978456086082 0.021260672430104155" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.54583000       1.91777000      -6.28304000       1.17098192      -0.77969870      -0.28064575
O       -0.55333000      -0.14049000      -2.22333000       0.03671977       0.38902640      -0.52723496
O        0.24428000       0.02854000      -5.70344000      -0.68903643      -0.02901946      -0.06583575
O       -2.96178000      -0.84027000      -3.84012000       0.54433988       0.22083349      -0.33592816
O       -1.85322000      -2.49471000      -6.55548000       0.24767843      -0.44791488       1.26636464
O       -2.02750000       1.98172000      -3.82432000       1.02100560      -0.83123148       0.05279625
O       -4.17021000       0.32223000      -6.48442000      -0.46999925       1.87707109       0.00439691
O       -4.69320000       2.25713000      -4.63142000       0.14474218      -0.30158242      -0.59188630
O       -3.42446000       2.93491000      -7.05874000      -0.74130311      -0.80842949       0.76346476
Zn      -2.47080000      -1.02440000      -1.97321000       0.24357060       0.11211275       0.21293589
Zn      -0.97432000       0.33376000      -4.22859000      -0.69634825      -0.54350686      -0.40761789
Zn      -2.34403000      -4.01663000      -2.07238000      -0.95773738       0.00338151       0.69466731
Zn      -2.85501000      -2.47926000      -4.91054000      -0.02873555       1.19909565      -0.34772110
Zn      -1.77024000       3.49846000      -8.17067000       0.17412158      -0.06013760      -0.43775584
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.08103965 magmom=-0.0004061 free_energy=-70.08103965 stress="0.019899255516586303 -0.000215055278879276 0.0035491131852621277 -0.000215055278879276 0.023918575656699536 -0.019017005550103706 0.0035491131852621277 -0.019017005550103706 -0.007684892408336409" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.51643000       1.96076000      -6.41227000      -1.43696805      -0.61055124       1.12610736
O       -0.56096000      -0.05694000      -2.25077000       0.49612711      -0.02754078      -0.57485231
O        0.11480000      -0.07993000      -5.71079000       0.54770585       1.79166921      -0.20385838
O       -2.96227000      -0.88837000      -3.85089000       0.20525234       1.27468859      -0.16129177
O       -1.76986000      -2.67155000      -6.38060000      -0.73302593       0.68034609       0.03512127
O       -2.87011000      -4.04931000      -3.78643000      -0.46915270      -0.41972885      -1.20775050
O       -4.42486000       0.34480000      -6.45040000       0.63637222       0.39120686      -0.72432393
O       -4.60596000       2.35499000      -4.80251000       0.52275686      -0.34697872       1.07897838
O       -3.35608000       2.91374000      -7.10785000       0.79151031       0.09189168      -0.76595094
Zn      -2.48714000      -1.00343000      -2.01100000       0.84880684      -1.43535549       0.95013355
Zn      -0.95108000       0.22387000      -4.28048000      -1.33242761       0.44362846       1.12975495
Zn      -2.44032000      -4.03779000      -1.95488000      -0.21469848      -1.34401831      -0.28974246
Zn      -2.90874000      -2.42024000      -4.89802000      -0.09685772      -0.55528430       0.27409353
Zn      -3.90546000       0.98471000      -3.28446000       0.23459898       0.06602680      -0.66641876
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.09904745 magmom=-0.0002512 free_energy=-70.09904745 stress="0.02183889326292184 0.017511343066528413 -0.0004827378766854117 0.017511343066528413 0.01537498567898214 -0.0012064153570252871 -0.0004827378766854117 -0.0012064153570252871 0.01806506780478918" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.53899000       2.00017000      -6.46219000       2.30200656       1.06232334       1.00066010
O       -0.49191000       0.03141000      -2.38599000      -0.14309647       0.02535489       0.77251378
O        0.09029000       0.10817000      -5.79186000       0.26006597      -1.94172607       0.39043432
O       -2.90239000      -0.69801000      -3.90736000       0.43842859      -0.46162478       0.00692009
O       -1.78300000      -2.72001000      -6.22280000       0.30639120       0.53556919      -1.35187713
O       -1.68961000       1.87202000      -3.80281000      -1.24487090       1.38516287       0.64360075
O       -4.52896000       0.40880000      -6.57658000       0.46542740      -0.38927926      -0.45491719
O       -4.41343000       2.36063000      -4.78765000      -0.11995332      -0.26343885      -0.63746024
O       -3.23294000       2.82702000      -7.24958000      -1.40084953      -0.96584532       0.57700669
Zn      -2.46263000      -1.04614000      -2.00162000      -0.09367417       0.83007239      -0.71422033
Zn      -1.00129000       0.13757000      -4.27806000      -0.62493146       0.25781584      -0.34205176
Zn      -2.54491000      -4.11491000      -1.85687000       0.42749036       0.32240172      -0.64247340
Zn      -2.97108000      -2.38309000      -4.86404000      -0.60305527      -0.47281402       1.43796652
Zn      -3.79749000       1.04519000      -3.27706000       0.03062103       0.07602806      -0.68610221
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.08528542 magmom=-0.0001536 free_energy=-70.08528542 stress="-0.007416270257437026 -0.013217092426068687 -0.00251176237235979 -0.013217092426068687 0.01807104890567131 0.007758566439318749 -0.00251176237235979 0.007758566439318749 0.017571818708690522" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.46181000       2.05231000      -6.45455000      -1.06430193      -3.12880283      -0.84798777
O       -0.43720000       0.13718000      -2.36546000      -0.22026401       0.18635814       0.66523142
O        0.13722000      -0.02944000      -5.81431000      -0.43652539       0.76525960       0.75373531
O       -2.79174000      -0.60189000      -3.95746000      -1.03829368      -1.53706135       0.28291958
O       -1.83167000      -2.67487000      -6.31513000      -1.67357113      -0.69804457       0.21803762
O       -2.88898000      -3.98748000      -3.85566000       0.05267018      -0.79531780       0.88638310
O       -4.51604000       0.44632000      -6.80463000       0.20866353       1.13561223       0.78063555
O       -4.23740000       2.33270000      -4.81019000      -0.36883017       0.31715245       0.26128328
O       -3.25979000       2.62807000      -7.35445000       1.52182325       1.32116981      -0.79923451
Zn      -2.43418000      -1.05950000      -2.01746000       0.23580931      -0.06295365       0.45767811
Zn      -1.08649000       0.08007000      -4.28325000       1.44440575       1.53855411      -0.85523332
Zn      -2.61726000      -4.17731000      -1.79721000       1.54572590       0.64081805      -1.05749575
Zn      -3.05976000      -2.37447000      -4.76033000       0.25272519       0.11409420      -0.25340224
Zn      -3.68768000       1.11178000      -3.30770000      -0.46003680       0.20316160      -0.49255038
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.65079967 magmom=-0.0002483 free_energy=-69.65079967 stress="0.011590353671948926 -0.006041544261934596 -0.016714970067799408 -0.006041544261934596 0.00940908781484574 -0.005028624700550868 -0.016714970067799408 -0.005028624700550868 0.011938030933474474" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38480000       2.01371000      -6.51154000       0.90141237       1.66585864      -1.62949280
O       -0.41580000       0.25995000      -2.17657000       0.18999277      -1.12039607      -0.32827883
O        0.12078000      -0.10047000      -5.64621000       0.21542687       1.15633758      -1.13924820
O       -2.82657000      -0.76590000      -3.93360000       0.65098096       1.65659481       0.99522875
O       -1.08137000       3.27272000      -6.30855000       1.17985834      -0.01298292       0.82926019
O       -3.01232000      -3.95873000      -3.64146000       1.68107260      -0.29475470      -0.73249778
O       -4.46662000       0.48365000      -6.92689000      -0.21753504      -1.13805021       0.48628711
O       -4.13728000       2.35534000      -4.84389000      -0.20653785       0.06757549      -1.06570739
O       -3.15739000       2.60723000      -7.52022000      -1.76987881      -0.06087762       1.10061191
Zn      -2.39840000      -1.05892000      -2.02016000      -0.06422218      -0.26795405       1.21102066
Zn      -1.11802000       0.09899000      -4.33128000      -0.33688055       1.01327785       1.04271437
Zn      -2.62297000      -4.21625000      -1.78801000       0.19658594       0.15921802       0.83036049
Zn      -3.14730000      -2.37471000      -4.66358000      -0.13759610      -1.77493426      -1.68153024
Zn      -3.60728000       1.18759000      -3.36862000      -2.28267932      -1.04891255       0.08127175
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.83751301 magmom=-0.0003771 free_energy=-69.83751301 stress="0.017793860295979673 0.006824547817044267 -0.009624318168055996 0.006824547817044267 0.038990483969743375 0.015653068946591884 -0.009624318168055996 0.015653068946591884 -0.003653549261677006" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30877000       1.99716000      -6.67135000      -1.78430268      -1.31854246       1.28805085
O       -0.36916000       0.16804000      -2.03548000      -0.62677559      -0.33140552      -0.87151013
O        0.13556000       0.09543000      -5.66613000      -0.27123927      -1.81389326       0.30148798
O       -2.78870000      -0.70903000      -3.74415000      -0.07482132      -0.41023270      -1.26845183
O       -1.20910000       3.20178000      -6.22171000       1.77136119       0.92469802      -0.29841357
O       -2.82924000      -4.04167000      -3.57711000      -0.30648797       0.20470648      -1.05197021
O       -4.42934000       0.38460000      -6.92427000       0.48428694       0.83539724       0.10750862
O       -4.03577000       2.41333000      -5.02726000       0.93387883      -0.14301052       0.61443832
O       -3.22742000       2.69789000      -7.62360000       0.51681195       0.70360100      -1.28734574
Zn      -2.35817000      -1.07268000      -1.94954000      -0.26001748       0.98221464       0.46142976
Zn      -1.15722000       0.18799000      -4.33474000       0.12646866       0.51224219       0.46692878
Zn      -2.60782000      -4.25162000      -1.72759000       0.10663709       0.56184745       1.44262618
Zn      -3.24851000      -2.44871000      -4.64164000       0.40801168       0.14472570      -0.49885079
Zn      -3.63737000       1.22105000      -3.43454000      -1.02381202      -0.85234825       0.59407179
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9970689 magmom=-0.0001828 free_energy=-69.9970689 stress="0.03446622703333858 0.0051651419653520395 -0.010876276656252154 0.0051651419653520395 0.040716527387240735 -0.005721600696821253 -0.010876276656252154 -0.005721600696821253 0.03649987326041501" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29789000       1.97160000      -6.78691000       0.36985993       0.14455954       0.18144861
O       -0.42857000      -0.03800000      -2.05646000       0.40780314       0.06230650      -0.23388230
O        0.11728000      -0.04339000      -5.67349000      -0.29125963       0.22321772       0.53000231
O       -2.75525000      -0.69183000      -3.74999000      -0.82909954      -1.02667728      -0.57626832
O       -2.02855000      -2.69576000      -6.23984000       0.15337493       0.28671508      -0.48072455
O       -2.65481000      -4.04786000      -3.69567000      -1.04740268       0.91729828       1.57775241
O       -4.29459000       0.32816000      -6.89727000       0.51438317       1.49247891      -0.27656561
O       -3.77827000       2.43429000      -5.17971000      -0.92217940      -0.74703055      -0.24954618
O       -3.32508000       2.85781000      -7.87694000      -0.96878675      -0.95998925       0.85295950
Zn      -2.33107000      -1.03684000      -1.84954000      -0.22522595       0.25188470      -0.12547989
Zn      -1.19521000       0.30493000      -4.31084000       0.93283192      -1.04325399      -0.66627397
Zn      -2.58777000      -4.25790000      -1.58955000      -0.19733348      -0.08027895      -0.88681062
Zn      -3.33087000      -2.52984000      -4.65696000       1.86907983       1.61384404      -0.32467474
Zn      -3.73663000       1.20041000      -3.47224000       0.23395450      -1.13507475       0.67806335
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.90534661 magmom=-0.0004292 free_energy=-69.90534661 stress="0.021788599045072275 -0.006144514788316152 0.0016285592400525435 -0.006144514788316152 0.025533855193550958 -0.01279795328667425 0.0016285592400525435 -0.01279795328667425 0.02882653370446685" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28791000       1.97686000      -6.84551000      -0.32115202       0.67457229       0.05950201
O       -0.43821000      -0.17722000      -2.13899000      -0.23280001       0.31091231       0.02270706
O        0.08037000      -0.10953000      -5.53528000       0.65446318       1.46420353      -0.59843011
O       -2.86798000      -0.83237000      -3.86890000       0.21113256       1.05017741       0.70820089
O       -1.88271000      -2.61449000      -6.28901000      -2.28058918      -1.47648703      -0.03058905
O       -2.70513000      -3.94945000      -3.53811000      -0.65558394      -0.80572603      -0.03998240
O       -4.08595000       0.40939000      -6.95798000       0.30569173      -1.26130460      -0.76235188
O       -3.70127000       2.33325000      -5.29229000      -0.28717446       0.28189022       1.09042503
O       -3.51116000       2.87381000      -8.00440000       0.71693651       0.26278807       0.06085304
Zn      -2.32266000      -0.98896000      -1.78157000      -0.16972443      -0.71781081      -0.52380432
Zn      -1.19159000       0.36306000      -4.30989000      -0.84818025      -0.06730961       1.08206014
Zn      -2.56471000      -4.26206000      -1.52273000       0.97238978       0.64623030      -1.10191963
Zn      -3.31204000      -2.52039000      -4.68583000       1.29955334       0.74121725      -0.36759716
Zn      -3.80724000       1.12653000      -3.46997000       0.63503718      -1.10335332       0.40092637
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.13106094 magmom=-0.0002049 free_energy=-70.13106094 stress="0.043634417992625844 0.0036896899588063194 0.0046389238511599686 0.0036896899588063194 0.055691752427049275 0.004857239875410371 0.0046389238511599686 0.004857239875410371 0.04095371426480873" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27888000       1.98195000      -6.88192000       1.03994700      -1.79579317       0.29161513
O       -0.47970000      -0.23462000      -2.21523000       0.58182248       0.32989998       0.13079002
O        0.16335000       0.10847000      -5.51080000      -0.51823415      -1.74551697       0.04649833
O       -2.93680000      -0.76768000      -3.84533000       0.78689506       0.13991447       0.12972244
O       -1.08325000       3.22219000      -6.26759000       0.77487583       0.69111778       0.40293283
O       -2.90410000      -3.99264000      -3.38997000      -0.33303913       0.06786254      -1.08917297
O       -3.84814000       0.40000000      -7.16610000      -0.87495055       1.82493383       0.13244728
O       -3.75001000       2.27541000      -5.24462000      -0.57944003       0.24758887      -0.82624119
O       -3.55720000       2.92511000      -8.06296000       0.06016173       0.07983846       0.98437574
Zn      -2.32680000      -0.98064000      -1.75086000      -0.43322641      -0.01376282      -1.18870610
Zn      -1.22599000       0.40411000      -4.25880000      -0.27554569      -0.33240573       0.52716285
Zn      -2.51103000      -4.23928000      -1.52179000      -0.64804505       0.76895935      -0.13202039
Zn      -3.21821000      -2.46789000      -4.72945000       0.21462692      -0.19667747       0.40182791
Zn      -3.83828000       0.99887000      -3.44369000       0.20415198      -0.06595914       0.18876813
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.92960162 magmom=-0.000262 free_energy=-69.92960162 stress="0.028324836176513508 0.001064247778842636 -0.0003825133896249149 0.001064247778842636 0.027901568091587024 -0.003924377330422221 -0.0003825133896249149 -0.003924377330422221 0.01798607158280162" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22626000       1.93943000      -6.89133000      -1.24136991       1.57605913      -1.24409469
O       -0.45365000      -0.21389000      -2.26451000       0.06483070       0.12124043       0.16825123
O        0.15194000       0.01371000      -5.51336000      -0.89806192       0.27135739       0.35081754
O       -2.83296000      -0.70256000      -3.79439000       0.06872260      -1.88455734      -0.50798441
O       -1.21458000       3.14893000      -6.24733000       1.58997423       0.23372231      -0.14018318
O       -3.17994000      -4.02638000      -3.43999000       0.55891769       0.69194237      -0.04479143
O       -3.72091000       0.51290000      -7.41136000      -0.11803697      -0.93563581       0.37139005
O       -3.90521000       2.27543000      -5.30865000       0.40613129      -0.18379635       0.71235951
O       -3.54355000       3.04655000      -7.94060000       0.14921541       0.28138853       0.40413010
Zn      -2.35185000      -0.98214000      -1.78034000       0.24774306      -0.68793888      -0.17898486
Zn      -1.27623000       0.43055000      -4.17102000       1.39645883      -0.39870262      -0.55291863
Zn      -2.48725000      -4.17182000      -1.54121000      -0.86573629      -0.26520370      -1.08292011
Zn      -3.10690000      -2.42034000      -4.74909000      -0.63319281      -0.01020401       1.58864926
Zn      -3.86577000       0.86377000      -3.40221000      -0.72559589       1.19032855       0.15627961
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.65759333 magmom=-0.0003023 free_energy=-69.65759333 stress="0.01636094374346272 -0.009680171348559476 -0.0031079005181798747 -0.009680171348559476 0.024823530716695377 -0.005544045871524929 -0.0031079005181798747 -0.005544045871524929 0.018011172910256962" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23016000       1.96340000      -6.96184000       0.08766539       0.82389216       1.61699482
O       -0.40992000      -0.15178000      -2.29526000      -0.71159156      -0.02946531      -0.09740172
O       -0.04902000      -0.05438000      -5.41676000       0.59282218       1.06933160      -1.00846878
O       -2.68200000      -0.92874000      -3.79708000      -0.44971598       2.59372821       1.43236115
O       -1.00260000       3.15180000      -6.22148000       0.48068624       0.76853954       0.43192610
O       -3.34734000      -3.95352000      -3.52491000       1.24525357      -0.80545144       0.40655325
O       -3.66227000       0.54863000      -7.56872000      -0.62807538       0.74775999       0.73822667
O       -4.01616000       2.22426000      -5.29424000       0.23127693      -1.01006151      -1.49392883
O       -3.49639000       3.26400000      -7.72612000      -0.38247205      -0.16904389      -0.21465897
Zn      -2.37043000      -1.02479000      -1.83209000       0.69505520      -1.61561728       0.69376826
Zn      -1.26638000       0.44023000      -4.09600000      -0.02184060       0.34267138      -0.05828966
Zn      -2.51893000      -4.11341000      -1.63071000      -1.32512093      -0.86200669      -0.92452502
Zn      -3.01525000      -2.38696000      -4.69870000      -0.73589985      -2.77643740      -1.20516637
Zn      -3.92202000       0.77473000      -3.34879000       0.92195685       0.92216064      -0.31739090
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.87618405 magmom=-0.0002793 free_energy=-69.87618405 stress="0.007925063426315602 -0.011034083796062842 -0.006856439213621061 -0.011034083796062842 0.014962968569613521 0.01983793257083583 -0.006856439213621061 0.01983793257083583 -0.028727541990356827" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26645000       2.06697000      -6.98364000      -0.31609583      -0.57094732      -0.85977597
O       -0.46485000      -0.09682000      -2.32662000       0.81500522      -0.22794018       0.37401678
O       -0.15293000       0.08479000      -5.51771000       0.36994985      -1.77445789       0.38188770
O       -2.68601000      -0.81315000      -3.64422000      -1.54505277      -0.38982990      -1.60319962
O       -1.73254000      -2.72535000      -6.17162000      -1.76408929      -0.95229418       0.74679939
O       -3.27917000      -3.99081000      -3.56037000      -0.26720229       0.54178285      -0.68874686
O       -3.70288000       0.65255000      -7.61590000      -0.59903395       1.27988197       0.05180172
O       -4.05230000       1.97550000      -5.39992000       0.38184385      -0.21689712       1.77073663
O       -3.48835000       3.48328000      -7.53055000       0.14122626      -0.42906542      -0.26953435
Zn      -2.35313000      -1.15052000      -1.84457000       0.48836308       1.20731522       0.38925334
Zn      -1.24220000       0.46571000      -4.02653000       0.70370732      -0.40599664      -1.45270918
Zn      -2.62336000      -4.09222000      -1.77425000       0.47875311       1.06276174       1.35624351
Zn      -2.94655000      -2.46440000      -4.67742000       0.45225395       0.07287566      -0.22064250
Zn      -3.94069000       0.73221000      -3.30265000       0.66037149       0.80281121       0.02386941
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.76027637 magmom=-3.32e-05 free_energy=-69.76027637 stress="-0.0009399763986370111 0.003147013908792646 0.006387221550449428 0.003147013908792646 -0.0021619134963225648 -0.008100256283554928 0.006387221550449428 -0.008100256283554928 -0.005645621021160266" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29734000       2.15847000      -6.95780000       0.73984899      -0.15232922       3.15671165
O       -0.47045000      -0.07887000      -2.30535000      -0.52086291       0.03117883       0.13180387
O       -0.14044000      -0.09185000      -5.54757000       0.38405181       1.05542006       0.91179199
O       -2.91773000      -0.75924000      -3.72907000       0.93898531      -1.24487688       0.08287961
O       -1.69893000      -2.77008000      -5.98071000       0.70065290      -1.09374417      -2.01839402
O       -3.24227000      -3.98225000      -3.65308000      -0.61051749      -0.93216525       0.98908027
O       -3.81309000       0.86089000      -7.71731000       0.25984589      -0.69279257      -1.33999449
O       -4.03813000       1.72025000      -5.34332000      -0.36819008       1.00118206      -1.31917348
O       -3.46211000       3.58958000      -7.42319000      -0.05998129      -0.63055323       0.17317292
Zn      -2.31391000      -1.20270000      -1.84513000       0.04450298       1.34746067      -0.07842954
Zn      -1.19741000       0.46602000      -4.03233000       0.09576439      -1.19098497      -1.61888367
Zn      -2.70665000      -4.03882000      -1.84260000      -0.20673045      -0.77791005       0.74571412
Zn      -2.87886000      -2.53198000      -4.67494000      -0.92375614       2.05262552       0.49452862
Zn      -3.92970000       0.74543000      -3.26745000      -0.47361392       1.22748919      -0.31080784
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.77048389 magmom=-0.0001254 free_energy=-69.77048389 stress="0.0159131307179289 0.004181102584467322 -0.0016111392317727674 0.004181102584467322 0.010576113925279417 -0.007258649713783167 -0.0016111392317727674 -0.007258649713783167 0.005820115952849135" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29168000       2.19228000      -6.83484000      -1.15401381      -1.45208218      -3.38915709
O       -0.52716000      -0.04759000      -2.24726000       1.18410924       0.23557681       0.05302231
O       -0.03210000      -0.17138000      -5.40734000       0.73005913       0.42122061      -1.99511050
O       -2.99261000      -0.91396000      -3.80143000       0.64654376       1.13688404       1.11712482
O       -0.60918000       2.98736000      -6.02825000      -1.64727942       2.14222370       0.94858014
O       -3.33409000      -4.10748000      -3.61592000       0.35306696       0.25653722      -0.58467662
O       -3.91502000       1.05782000      -7.98354000      -0.23897409       1.02276401       1.79148230
O       -4.06240000       1.62866000      -5.34209000       0.16871142      -0.31190667       1.01222493
O       -3.42785000       3.58487000      -7.28176000       0.13616151       0.11450966       0.53130522
Zn      -2.27011000      -1.17384000      -1.85992000       0.63591126      -1.63332151      -0.17522053
Zn      -1.15179000       0.40534000      -4.11980000      -1.05119740      -0.31737532       0.46774965
Zn      -2.78226000      -4.01268000      -1.84741000       0.24096647      -0.55886083       1.63102621
Zn      -2.84877000      -2.50517000      -4.66058000       0.01764803      -0.82943603      -0.91515629
Zn      -1.69545000       3.38751000      -8.08969000      -0.02171306      -0.22673353      -0.49319456
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.08000185 magmom=-0.0001848 free_energy=-70.08000185 stress="0.010838100971245929 0.005567860942538103 -0.00876308106592489 0.005567860942538103 0.017861829256820973 -0.005312590478164591 -0.00876308106592489 -0.005312590478164591 0.015699113333360656" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.33722000       2.17181000      -6.80747000       1.51398838       0.67775374       0.69457727
O       -0.45519000       0.05698000      -2.17909000      -1.42888623       0.50843805      -0.33497051
O        0.20466000      -0.09478000      -5.58953000      -1.03303879      -0.27070713       0.73884564
O       -2.89336000      -0.90150000      -3.65578000       0.59842727       0.05385100      -0.52316650
O       -0.83245000       3.07296000      -6.07287000       1.12696379       0.05163301      -1.04121651
O       -2.25226000       1.81576000      -3.57115000       1.15856891       1.13667823      -0.12795729
O       -4.00793000       1.28806000      -8.10174000       0.33593190      -1.08044632       0.31388548
O       -4.09402000       1.51825000      -5.27118000      -0.41923637      -0.11002300      -1.23937909
O       -3.37300000       3.57946000      -7.01684000      -0.33748954      -0.38306397       0.06524698
Zn      -2.19373000      -1.20202000      -1.87800000       0.06010707       1.00340157       0.09078500
Zn      -1.15191000       0.31211000      -4.20847000      -0.03696173      -0.28667196       0.03156286
Zn      -2.85497000      -4.02691000      -1.77188000       0.33284304      -0.79746496       0.36102450
Zn      -2.83184000      -2.49729000      -4.68097000      -1.31287329      -0.06778441       1.16096016
Zn      -1.71222000       3.45576000      -8.10344000      -0.55834440      -0.43559385      -0.19019798
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.83186473 magmom=-0.000135 free_energy=-69.83186473 stress="0.019266644144755207 -0.017123375190870843 -0.00961488278508776 -0.017123375190870843 0.00890351725571753 0.011866083821961611 -0.00961488278508776 0.011866083821961611 0.021304921871195488" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34404000       2.19281000      -6.78567000      -1.71214323       0.09725083       0.94507054
O       -0.53859000       0.23844000      -2.16247000       1.62834846      -0.81586261       0.04928267
O        0.25598000      -0.09326000      -5.65849000      -1.01142442      -0.22440154       1.03743657
O       -2.69187000      -0.82445000      -3.63127000      -0.63122101      -0.42315284      -1.56061524
O       -0.93045000       3.26324000      -6.25796000      -0.18468080      -1.01098797       0.33620239
O       -3.08197000      -4.06028000      -3.71349000      -0.53784027      -0.74579559       0.44436014
O       -4.02826000       1.32048000      -8.10683000       0.30343689      -0.23003581       0.31885475
O       -4.20402000       1.33081000      -5.34343000      -0.22776209       0.08186838      -0.19449519
O       -4.42098000      -2.46529000      -6.78864000      -0.16367336       0.10972122      -0.69836754
Zn      -2.10018000      -1.19358000      -1.89355000       0.13444525       1.26366456       0.42524544
Zn      -1.16005000       0.20433000      -4.29155000       0.39470811       0.86165671       0.30287299
Zn      -0.66566000      -1.50754000      -6.50607000       1.59935870       0.37558047      -0.76853662
Zn      -2.87381000      -2.50394000      -4.65857000      -0.34900414       0.76015912      -0.28202849
Zn      -1.74812000       3.50387000      -8.13184000       0.75745190      -0.09966495      -0.35528239
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.35885355 magmom=-0.0001233 free_energy=-69.35885355 stress="-0.01190217454956886 -0.010305543481064881 0.0026823790175231096 -0.010305543481064881 0.020191354916817422 0.0010572676557683046 0.0026823790175231096 0.0010572676557683046 0.03992501814691316" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.41210000       2.21226000      -6.71845000       2.80430221      -2.55182847      -0.43623129
O       -0.43837000       0.28865000      -2.14647000      -2.11926606      -0.00117818      -0.06808645
O        0.13378000      -0.12037000      -5.54619000       1.38119106       0.93510101      -1.88202828
O       -2.63071000      -0.84377000      -3.87190000      -0.72929640       0.06072814       1.41371178
O       -0.97370000       3.21230000      -6.41517000       0.46575032      -0.84054876       1.21509624
O       -2.94639000      -4.07270000      -3.68932000      -0.71873260      -0.29262039      -0.01802360
O       -3.98125000       1.28645000      -8.03452000      -0.38608949       1.10496248       1.25644872
O       -4.35698000       1.15910000      -5.39272000      -0.06723388       0.63533035       0.84812102
O       -4.45622000      -2.48391000      -6.64767000      -0.33877774       0.04521959      -0.23050645
Zn      -2.01079000      -1.11442000      -1.89165000      -0.75442802       0.24344931       0.01872772
Zn      -1.15229000       0.15235000      -4.34972000      -0.72435531       2.01381977       1.36510096
Zn      -0.63378000      -1.55005000      -6.44945000       0.71580543      -0.06189368      -1.32612207
Zn      -2.94705000      -2.47323000      -4.64131000      -0.21354518      -1.01401553      -1.34598289
Zn      -3.98570000       0.96918000      -3.34638000       0.68467565      -0.27652563      -0.81022542
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.57283577 magmom=0.0002191 free_energy=-69.57283577 stress="0.02083049179268114 0.0038108437551356384 0.002148976058757379 0.0038108437551356384 0.008342936119817833 -0.005925305760147565 0.002148976058757379 -0.005925305760147565 0.023498285870131704" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39261000       2.12500000      -6.60387000      -1.80284432       2.05658567       1.89035183
O       -0.55542000       0.24879000      -2.12769000       2.51446236      -0.52775463      -0.06717592
O        0.19583000       0.03263000      -5.74007000      -0.95672233      -1.48037814       1.01672680
O       -2.72619000      -0.85450000      -3.87889000       0.19133765       0.16786953       0.35955303
O       -0.97860000       2.97084000      -6.31415000      -0.12935779       1.83205437       0.31836237
O       -1.93638000       1.84352000      -3.58271000      -1.24363548       1.11138964      -0.46312188
O       -3.93239000       1.33252000      -7.87455000       0.63829101      -1.24748453      -1.61591700
O       -4.54986000       1.09507000      -5.25156000       0.26910142       0.80463431      -0.39492695
O       -4.55232000      -2.47338000      -6.54725000      -0.22897114      -0.81950370       0.24947525
Zn      -1.95084000      -1.00394000      -1.88910000      -1.20580546      -0.63352027      -0.62679390
Zn      -1.16790000       0.20568000      -4.35243000       0.39493617       0.57139047      -0.33888746
Zn      -0.54135000      -1.59520000      -6.46251000      -0.03397457       0.20536214      -0.68031775
Zn      -3.04297000      -2.48783000      -4.70697000       0.21990557      -1.01249248      -0.62529880
Zn      -3.93205000       0.99260000      -3.44566000       1.37327692      -1.02815238       0.97797038
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.62827868 magmom=-0.0003404 free_energy=-69.62827868 stress="-0.014491045087405636 -0.004377650141029945 -0.011780205087860936 -0.004377650141029945 0.008064147798854213 0.012096092121431111 -0.011780205087860936 0.012096092121431111 0.02489071513232257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.42113000       2.07457000      -6.45244000       2.25988759      -0.98221844      -2.59396429
O       -0.38820000       0.15146000      -2.14768000      -2.28874919       1.45921798      -1.24223993
O        0.12935000      -0.03060000      -5.81594000      -0.66863015       0.60053228       1.18394157
O       -2.78766000      -0.82068000      -3.78308000       0.76670864      -0.42845921      -0.58368504
O       -0.94026000       3.04261000      -6.14546000       1.40805041       1.01940272      -1.16880622
O       -3.27847000      -4.06917000      -3.68828000       1.43967660      -0.01397709       0.42388605
O       -3.82938000       1.27443000      -7.78729000      -0.40888985       0.37776542       1.77484833
O       -4.73189000       1.15957000      -5.11013000      -0.16680201      -0.39833904       0.38693729
O       -4.64355000      -2.53779000      -6.35100000       0.77420374       0.39243402       0.78781206
Zn      -1.95523000      -0.91728000      -1.91528000      -1.56952989      -1.88375102       0.00810021
Zn      -1.17714000       0.30668000      -4.36065000       0.08325324      -0.06665142      -0.62563139
Zn      -2.67958000      -4.21289000      -1.68563000      -0.74464657       0.00470769      -0.47965901
Zn      -3.14620000      -2.55369000      -4.81332000      -0.33576979       1.55666404       0.74841586
Zn      -3.80186000       0.95982000      -3.50245000      -0.54876276      -1.63732794       1.38004453
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.01418712 magmom=-0.0002289 free_energy=-70.01418712 stress="-0.008786401821898313 -0.012411361832299682 0.0043008021715854015 -0.012411361832299682 0.02097286922912513 0.004696833271878935 0.0043008021715854015 0.004696833271878935 0.0189411305695168" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40775000       2.04588000      -6.40706000      -2.10657232       0.93794175      -0.28166103
O       -0.43048000       0.25187000      -2.33828000       1.71024120      -1.03758547       0.41520702
O       -0.03110000      -0.02286000      -5.68289000       1.19398635       0.53960593      -1.57022840
O       -2.71347000      -0.86845000      -3.81547000       0.04432646      -0.03341849      -0.30680967
O       -1.81582000      -2.72319000      -6.24123000      -1.74826361      -1.39633885       0.05079568
O       -3.27205000      -3.97600000      -3.66654000       0.88782775      -0.53642905      -0.33395987
O       -3.72362000       1.16841000      -7.58769000       0.08139729       0.20611676       0.75135750
O       -4.88850000       1.18596000      -5.01190000       0.66231511       0.43076820      -0.84337428
O       -4.61384000      -2.57142000      -6.08042000      -1.17836271      -0.78039951      -1.22801778
Zn      -2.03274000      -0.93525000      -1.93777000      -0.80706723      -1.52654874       0.51685736
Zn      -1.18434000       0.38798000      -4.38685000      -0.94001415       0.22095462       1.10248714
Zn      -2.62172000      -4.23268000      -1.75543000       1.05509905       2.24957191       0.10185003
Zn      -3.22942000      -2.54029000      -4.87086000       1.75973974       1.45238300       1.03021993
Zn      -3.71351000       0.85678000      -3.47892000      -0.61465293      -0.72662207       0.59527636
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.55971561 magmom=-0.0004152 free_energy=-70.55971561 stress="-0.005792840245893569 -0.0012760997716837988 -0.002621109829890735 -0.0012760997716837988 -0.006047873027358058 0.009565068589222046 -0.002621109829890735 0.009565068589222046 0.007462647266710135" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.49999000       2.05556000      -6.39672000       1.24703481      -1.39077567       0.73914818
O       -0.28125000       0.19734000      -2.44979000      -2.39069296       0.33426486      -0.67446938
O        0.02045000       0.07713000      -5.77792000      -0.16026119      -1.50324817       1.06114913
O       -2.63270000      -0.90120000      -3.89485000      -0.00485763       0.37360833       0.29578914
O       -0.82788000       3.25610000      -6.24248000       0.27285740      -0.23270573      -0.77807486
O       -3.08526000      -4.00014000      -3.70767000      -0.58249964       0.05721570      -0.16476727
O       -3.61856000       1.10023000      -7.34670000       0.30255522      -0.11205131      -0.29531279
O       -4.89896000       1.23444000      -5.00273000       0.01473132      -0.30816306       0.93046957
O       -4.71589000      -2.63225000      -6.04188000       0.58783723       1.29242755       0.09989533
Zn      -2.13353000      -1.01686000      -1.93785000      -0.19735730       0.98703467      -0.89947372
Zn      -1.21947000       0.45253000      -4.37164000       1.02500182      -0.71452235      -0.77332627
Zn      -2.54663000      -4.15964000      -1.80438000      -0.30152867       0.48109772       0.17412832
Zn      -3.21903000      -2.45919000      -4.86624000       0.78166138       0.27130962       0.22559199
Zn      -3.68385000       0.74132000      -3.43080000      -0.59448180       0.46450782       0.05925263
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.33343567 magmom=-8.12e-05 free_energy=-70.33343567 stress="0.027163757793612665 -0.003557098284928363 -0.0006356391965646638 -0.003557098284928363 0.015279222784924064 -0.006805662864157555 -0.0006356391965646638 -0.006805662864157555 0.0181209598574115" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.54310000       2.02731000      -6.35372000       1.75010447      -0.07146248       0.05662848
O       -0.43562000       0.11022000      -2.54793000       1.13485874      -0.88298710       1.93052237
O        0.09135000      -0.03640000      -5.71346000       0.13707674       1.19585251       0.60293257
O       -2.57394000      -0.86958000      -3.92106000      -0.29554603      -0.13897922      -0.08676707
O       -0.90460000       3.16068000      -6.41378000       0.21066327       0.87519773       1.24897318
O       -3.04424000      -3.98252000      -3.77403000      -0.60709342       0.51201635       0.20450307
O       -3.46389000       1.02747000      -7.16117000      -1.57311306       1.51759600       0.74963202
O       -4.88269000       1.25368000      -4.86784000       0.01748416       0.54952495      -0.76262754
O       -4.79419000      -2.54023000      -6.05268000      -0.50860254      -1.08553709      -0.13943890
Zn      -2.23448000      -1.06143000      -1.97120000       0.53604671      -0.55843470       0.19856306
Zn      -1.20192000       0.47073000      -4.39287000       1.13995833      -0.62582611      -0.90097819
Zn      -2.48950000      -4.07049000      -1.84951000      -0.93936359      -1.65470601      -1.16191125
Zn      -3.15772000      -2.37058000      -4.84874000       0.07152344      -0.82614408      -1.01279113
Zn      -3.69251000       0.66336000      -3.38575000      -1.07399721       1.19388924      -0.92724069
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.30378929 magmom=-0.0002959 free_energy=-70.30378929 stress="0.00247126181882681 0.0015665209486996404 0.013996568355118519 0.0015665209486996404 0.010816043765104477 -0.004830423624666088 0.013996568355118519 -0.004830423624666088 -0.0001255364217582771" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.51996000       2.01458000      -6.25719000      -1.21698423       1.22574819       1.49918785
O       -0.46881000      -0.16196000      -2.30045000      -0.71079885       0.48921776      -0.74382751
O        0.22279000      -0.03583000      -5.54926000       0.38758571      -0.28917969      -2.10264571
O       -2.57106000      -0.82051000      -3.94366000      -0.16683177       0.46236257       0.34879916
O       -0.91608000       3.23368000      -6.37554000       0.54086515      -0.00287727      -0.08178362
O       -3.13744000      -3.88278000      -3.78685000       0.60386692      -1.38250176       0.14488255
O       -3.45143000       1.10140000      -6.95298000       1.74637445      -1.58305726      -1.69547619
O       -4.87661000       1.34998000      -4.78448000      -0.37359399      -0.51487398       1.04948890
O       -4.90840000      -2.53507000      -6.05717000       0.91192983       1.17486510       0.38599042
Zn      -2.32116000      -1.12807000      -2.00634000       0.81965524      -0.10245740       0.73118835
Zn      -1.12040000       0.45542000      -4.45647000      -0.98651489       0.56518703       1.47435110
Zn      -2.47883000      -4.04774000      -1.95625000      -0.61729376      -0.39813277       0.38585564
Zn      -3.08230000      -2.31550000      -4.89320000      -0.52155767      -0.86919748      -1.18442199
Zn      -3.76755000       0.64688000      -3.38422000      -0.41670214       1.22489695      -0.21158894
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.65454704 magmom=-2.02e-05 free_energy=-69.65454704 stress="0.04488788225114014 0.0002969521548519653 -0.012136908595190007 0.0002969521548519653 0.03957713080243194 0.01606499062952748 -0.012136908595190007 0.01606499062952748 0.01374193464950603" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.49980000       2.04425000      -6.07978000       0.76291334      -0.50980801      -0.97280455
O       -0.52954000      -0.40629000      -2.07077000       1.92483810       1.15248569      -0.58043591
O        0.40326000      -0.05748000      -5.73645000      -1.67789120      -0.57112727       0.50706419
O       -2.61592000      -0.70676000      -3.91504000      -0.16403204      -1.17727217      -0.21916218
O       -0.78614000       3.32960000      -6.32870000       0.13711821      -0.75367607      -1.10460430
O       -3.12671000      -4.02943000      -3.81820000       0.51726262       0.50145935      -1.41901703
O       -3.32425000       1.08401000      -6.88664000      -1.85502841       1.55928068       1.39687979
O       -4.96675000       1.42492000      -4.56322000      -0.84292990       1.00434201      -1.63754139
O       -4.90931000      -2.39742000      -5.98691000      -0.30122844      -1.26216181       0.07143698
Zn      -2.38176000      -1.21760000      -2.01226000       0.35773692       1.10704810      -0.28940226
Zn      -1.05578000       0.45944000      -4.47014000       0.22112320      -0.56831622      -0.03308435
Zn      -2.50496000      -4.05177000      -2.06795000      -0.08126862      -0.12068822       1.50127116
Zn      -3.02441000      -2.29630000      -5.00596000      -0.72934395      -0.17178501       0.79280531
Zn      -3.88096000       0.69553000      -3.39000000       1.73073018      -0.18978106       1.98659455
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.87699053 magmom=-0.0002595 free_energy=-69.87699053 stress="0.02407288847514308 0.00023927757091385965 -0.0052897034196942895 0.00023927757091385965 -0.003132764612114854 -0.005264057570499784 -0.0052897034196942895 -0.005264057570499784 0.0010936492938744048" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.47242000       2.08260000      -5.93431000      -1.18627756       1.00282304       0.65513761
O       -0.32833000      -0.40762000      -2.04681000      -1.27136897       0.90845114      -2.00848218
O        0.26423000      -0.17593000      -5.84651000      -0.41920498       0.70102476       1.25332609
O       -2.69861000      -0.80413000      -3.92411000       0.22743729      -0.04245480      -0.09002234
O       -0.65399000       3.26325000      -6.48690000      -1.25915417      -0.28507761       0.58895355
O       -1.93760000       1.92470000      -4.00960000       0.03344526       0.97819460       0.89319312
O       -3.37566000       1.20443000      -6.67119000       1.53353946      -1.58233693      -0.52990933
O       -5.17255000       1.59693000      -4.46411000       0.86385443      -0.75774219       1.17617557
O       -4.90315000      -2.39634000      -5.87890000       0.50711301       0.74947808       0.14809564
Zn      -2.41386000      -1.24807000      -2.03171000       0.86842763       1.06045573      -0.64154093
Zn      -0.98239000       0.42830000      -4.47937000      -0.03827605      -1.45411404      -0.12032636
Zn      -2.54187000      -4.06923000      -2.11981000      -0.23286833      -0.87035379      -0.88825493
Zn      -3.00372000      -2.29297000      -5.09247000      -0.11564826      -0.47905524       0.15145013
Zn      -3.92430000       0.75129000      -3.31575000       0.48898124       0.07070725      -0.58779563
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.7736253 magmom=-3.08e-05 free_energy=-69.7736253 stress="0.036817438317472174 -0.0035677780562955526 0.0015520372895956817 -0.0035677780562955526 0.02470716601783533 -0.009059446306707712 0.0015520372895956817 -0.009059446306707712 0.00945459525082592" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50628000       2.15090000      -5.81042000      -0.09454624      -0.17647919      -2.32492011
O       -0.22159000      -0.20265000      -2.31357000       0.60002998       0.23959546       1.51562468
O        0.06359000      -0.21610000      -5.79157000       1.45337518      -0.21626156      -2.19416828
O       -2.73532000      -0.90181000      -3.94605000       0.30685137       1.14538581       0.10582062
O       -0.75255000       3.15930000      -6.52494000       0.18663420       0.64808471       0.67228472
O       -1.78862000       2.02278000      -4.08632000       0.04842186      -0.90632015       1.51366852
O       -3.31412000       1.16397000      -6.44239000      -1.57953345       0.90259159       1.00972563
O       -2.97175000       4.24509000      -9.10935000       0.55051631       0.21671909      -1.40992558
O       -4.85043000      -2.33783000      -5.74988000      -0.90157511      -0.75678807      -0.14538956
Zn      -2.39948000      -1.22624000      -2.08330000       0.84523904      -0.56846950      -0.00065773
Zn      -0.93340000       0.33880000      -4.47367000      -2.17201916       0.39425238       2.37252719
Zn      -2.58622000      -4.12373000      -2.20139000       0.20737626      -0.30024566      -0.47992314
Zn      -2.98970000      -2.31201000      -5.16194000       0.25145260      -0.10019478       0.69903685
Zn      -3.92955000       0.80047000      -3.26642000       0.29777715      -0.52187013      -1.33370383
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.72923288 magmom=-0.0001554 free_energy=-69.72923288 stress="0.014817349430642748 -0.010526139322629169 -0.002062375906065899 -0.010526139322629169 0.012142867195431742 -0.0007862313827616677 -0.002062375906065899 -0.0007862313827616677 -0.03760198888055077" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.58407000       2.22852000      -5.81672000       2.12401395      -0.33924334      -0.00573249
O       -0.08335000       0.03959000      -2.34538000      -1.59079045      -0.42052797      -0.66682573
O        0.09085000      -0.21084000      -6.00271000      -0.34170315       0.50366333       1.56057026
O       -2.70724000      -0.76918000      -3.96536000       0.09850289      -0.16201276      -0.33181667
O       -0.81137000       3.15985000      -6.46121000       0.86725755      -0.19122290      -0.86676419
O       -1.65710000       1.98570000      -3.94631000      -0.52449822       0.61050019      -2.78524659
O       -3.39916000       1.14803000      -6.10669000      -0.48462269       0.33777107      -0.90430248
O       -2.91197000       4.32736000      -9.14598000      -1.37075223      -0.21803129       0.67362276
O       -4.90257000      -2.32755000      -5.63845000       0.39296734       0.58439680      -0.02220327
Zn      -2.34149000      -1.22707000      -2.13391000       0.10050668      -0.04681680       0.07590134
Zn      -0.97572000       0.25325000      -4.38012000       0.33557585      -0.54158708      -1.01665449
Zn      -2.61610000      -4.19705000      -2.28735000       0.65068334       0.02194600       2.97782264
Zn      -2.97421000      -2.33571000      -5.17603000      -0.66873403       0.25686790       2.31499251
Zn      -3.91520000       0.81934000      -3.29041000       0.41159318      -0.39570316      -1.00336360
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.5750934 magmom=-0.0001822 free_energy=-69.5750934 stress="0.011201462720782202 -0.009939295657708801 0.007850438370346243 -0.009939295657708801 0.01150945113079508 -0.0017346498593970748 0.007850438370346243 -0.0017346498593970748 0.026039551200771085" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.58866000       2.31585000      -5.81632000      -2.18932232       1.18050327       1.15903790
O       -0.20153000       0.18843000      -2.40380000       0.84387362      -1.14941288       1.24779858
O        0.07546000      -0.14365000      -5.95715000      -0.36443334      -0.67638100       0.27325904
O       -2.68282000      -0.67200000      -4.04899000      -0.80654017      -1.34366947       0.23135093
O       -0.73095000       3.15557000      -6.53256000      -1.12836188       0.24278494       0.19173016
O       -1.62157000       2.02405000      -4.17699000      -0.23889044      -0.92395329       1.80890009
O       -3.52903000       1.14910000      -5.99735000       0.77798441      -0.32589269      -1.43953309
O       -3.09204000       4.38824000      -9.14596000       0.74483150       0.11055157      -0.83220991
O       -4.90273000      -2.22605000      -5.54629000      -0.07130804      -0.75481883      -0.49995442
Zn      -2.26950000      -1.23125000      -2.18487000      -0.16557641       0.14432428       0.31012122
Zn      -1.00602000       0.14313000      -4.32547000       1.48442991       0.87345328      -1.60480604
Zn      -2.60711000      -4.26308000      -2.25577000       1.04439072       1.70827070       0.12065945
Zn      -2.98372000      -2.34868000      -5.07189000       0.35741162       0.50157963      -0.00967607
Zn      -3.87851000       0.81822000      -3.38193000      -0.28848919       0.41266049      -0.95667783
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.6002693 magmom=-3.12e-05 free_energy=-69.6002693 stress="0.027041772840479088 -0.0164966675127257 0.0021879669847195914 -0.0164966675127257 0.023792271217243317 -0.006385532772842219 0.0021879669847195914 -0.006385532772842219 0.00669789963895596" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.67584000       2.44173000      -5.74589000       2.66047617      -2.42295260      -1.91867425
O       -0.26687000       0.11919000      -2.27731000      -0.68602023      -0.16675028      -0.46755593
O        0.00619000      -0.19553000      -5.84816000       0.97804815       0.25408513      -1.90485371
O       -2.78728000      -0.80114000      -4.07384000       0.93709555       1.38135402       1.38641915
O       -0.84829000       3.19778000      -6.61521000      -0.30283039       0.08499618       0.34102221
O       -1.65431000       1.89387000      -4.13719000      -0.47795961      -0.14548855       1.43873889
O       -3.62856000       1.18682000      -6.20486000      -1.49865297       2.22045690       0.64482801
O       -3.21830000       4.46407000      -9.24047000       0.14788949      -0.59039616       1.57056406
O       -4.87438000      -2.17118000      -5.53048000      -0.56557222      -0.32564448      -0.19466673
Zn      -2.19417000      -1.22683000      -2.22390000      -0.76373944       0.05987463       1.46593316
Zn      -0.97236000       0.05055000      -4.34755000      -0.54166591       1.05534926       0.13090364
Zn      -2.53876000      -4.25052000      -2.18394000      -0.31544183       0.65005476      -0.23568709
Zn      -2.98243000      -2.35141000      -4.93181000       0.31260485      -2.44775656      -1.92986506
Zn      -3.84430000       0.83801000      -3.55974000       0.11576841       0.39281777      -0.32710635
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.43844139 magmom=0.0005398 free_energy=-69.43844139 stress="0.02519996118145828 0.005397607085092725 -0.006133526087213269 0.005397607085092725 -0.00047522957838432093 -0.006661320357221881 -0.006133526087213269 -0.006661320357221881 0.0013631834603287703" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.71064000       2.48012000      -5.73916000      -2.88979099       0.26097291       0.70972113
O       -0.45439000      -0.00492000      -2.21207000       0.27202907       0.59057537       0.33791513
O        0.09075000      -0.16131000      -5.98842000       0.15737133       0.63099080       1.77253176
O       -2.75301000      -0.79417000      -3.90981000       0.38033548      -0.84883778      -1.44638925
O       -1.06009000       3.25889000      -6.60649000       0.49964410      -0.03220098       0.75318486
O       -1.78790000       1.71118000      -3.84256000      -0.61599140       1.36401025      -2.34427310
O       -3.78522000       1.41679000      -6.39996000       2.16818379      -1.92103885      -0.47230761
O       -3.22972000       4.44073000      -9.12032000       1.59570442       0.15443428      -1.02535720
O       -4.91643000      -2.14188000      -5.54892000      -0.23775258       0.02926970       0.08647525
Zn      -2.15421000      -1.21382000      -2.18770000      -0.79733249       1.20099719       1.35347408
Zn      -0.94452000       0.01049000      -4.38625000       0.01745084       0.72401754      -0.55173070
Zn      -2.48068000      -4.20878000      -2.11959000      -1.14437901      -1.26507019       0.56518698
Zn      -2.96463000      -2.44845000      -4.87838000       0.24647900      -0.97401000      -1.26084103
Zn      -3.80757000       0.88214000      -3.75355000       0.34804846       0.08588976       1.52240971
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.82753996 magmom=-0.0003032 free_energy=-69.82753996 stress="0.017208292626460474 -0.0025576427759592987 0.004125158639938131 -0.0025576427759592987 0.018280239138289144 0.022964452646692873 0.004125158639938131 0.022964452646692873 0.00839405592704552" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.79179000       2.46200000      -5.75267000       2.77762784       0.04964233      -1.95609745
O       -0.58167000       0.03057000      -2.15715000       0.75182952       0.45577934       0.00456007
O        0.21168000      -0.07742000      -5.84724000       0.32337581      -0.83876853      -0.57233051
O       -2.63310000      -0.88539000      -3.98294000       0.06993944       0.08717615       0.02718242
O       -1.10204000       3.29514000      -6.51152000       1.59986073      -0.31198085      -1.43149746
O       -1.97492000       1.80155000      -3.93057000       0.76128074      -0.71066909       0.69138936
O       -3.70862000       1.45805000      -6.50790000      -1.06290650       0.76725331       1.11889351
O       -3.03973000       4.42771000      -9.11061000      -1.08864023      -0.04224260       0.17544378
O       -5.02216000      -2.11710000      -5.55108000      -0.91901346      -1.04617121      -0.23147614
Zn      -2.17364000      -1.14570000      -2.09837000      -1.49495420       0.83061932       0.20542286
Zn      -0.93350000       0.01889000      -4.43523000      -1.16554143       0.72537945       0.57893076
Zn      -2.49602000      -4.22073000      -2.05352000      -1.58171114       0.53431916      -0.08030858
Zn      -2.94439000      -2.58000000      -4.90103000      -0.45756766       0.94103780      -0.56148800
Zn      -3.75065000       0.91269000      -3.83380000       1.48642054      -1.44137456       2.03137537
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.13251988 magmom=-0.0003108 free_energy=-70.13251988 stress="-0.0078111815560952666 -0.013698041979317841 0.002196279345433824 -0.013698041979317841 -0.004353323128955248 0.006073094853388589 0.002196279345433824 0.006073094853388589 0.02663994114374734" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.77569000       2.43378000      -5.82653000       0.25154200      -1.69570712       0.71551022
O       -0.57274000       0.14998000      -2.14535000       0.62477334      -0.84695364      -0.61562282
O        0.35830000      -0.14855000      -5.79070000      -0.95990543       0.64391568      -0.85106882
O       -2.52696000      -0.97644000      -4.07698000      -0.67166504      -0.13772725       0.67096163
O       -0.87245000       3.25872000      -6.63196000      -1.47796039      -0.15449748       0.92751278
O       -1.97766000       1.76967000      -3.94125000       1.36120326       0.23624326       0.06570053
O       -3.64856000       1.48057000      -6.50617000      -0.09120233       0.00245078       0.05772619
O       -3.01173000       4.39945000      -9.12399000       0.11640902      -0.31713086      -0.78500309
O       -5.19600000      -2.14902000      -5.57653000       1.26287931       1.41868570       0.13699087
Zn      -2.26314000      -1.04070000      -2.00077000       0.04482829      -1.25062019       0.02263142
Zn      -0.97401000       0.06723000      -4.45759000       0.46037342       0.36906591      -0.09374589
Zn      -2.59013000      -4.20491000      -1.99092000      -0.12858849       1.68246460       0.03543869
Zn      -2.94321000      -2.64864000      -4.96719000       0.07640948       1.05774100      -0.97503938
Zn      -3.63906000       0.87100000      -3.79930000      -0.86909644      -1.00793039       0.68800767
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.24074534 magmom=-0.0006752 free_energy=-70.24074534 stress="0.020300593940610324 0.0018665266620272983 0.006656553467042079 0.0018665266620272983 0.0141155532332681 0.0027486032830769417 0.006656553467042079 0.0027486032830769417 0.011450831008156477" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.71290000       2.37694000      -5.86159000       0.55643678       1.94760224      -0.22048050
O       -0.45663000       0.11106000      -2.24958000      -0.15009614      -0.35747319       0.47734045
O        0.31613000      -0.09110000      -5.92167000      -0.86964579       0.54696557       0.69108187
O       -2.54269000      -1.06243000      -4.02181000      -0.15284180       0.71571654       0.34286934
O       -0.91011000       3.23450000      -6.61129000      -0.45286742       0.76771113      -0.04509290
O       -1.74070000       1.76180000      -3.89804000      -0.97148454       1.06471822      -0.05511388
O       -3.55533000       1.44811000      -6.51837000       0.25789405      -0.00040483       0.06157383
O       -2.99745000       4.27800000      -9.24051000       0.63171588      -0.53797055       0.22745421
O       -5.18072000      -2.06953000      -5.60449000       0.33516195      -2.04944870      -0.15693507
Zn      -2.35112000      -1.00881000      -1.90511000       1.05292443      -1.40565748      -0.84245854
Zn      -0.99811000       0.12899000      -4.47881000       0.95234019      -0.93072804       0.08353913
Zn      -2.69637000      -4.10856000      -1.93205000       0.62887255      -0.31477509      -0.91198524
Zn      -2.94897000      -2.65107000      -5.08318000      -1.04231477       0.68691563       0.95602940
Zn      -3.55796000       0.77119000      -3.72198000      -0.77609537      -0.13317144      -0.60782208
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00129559 magmom=-0.0002088 free_energy=-70.00129559 stress="0.021600845238098236 -0.0035632292257200817 0.006268958509071761 -0.0035632292257200817 -0.0009489046652302768 0.0041589423185271835 0.006268958509071761 0.0041589423185271835 -0.012090092277297073" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.62524000       2.36423000      -5.90510000       0.95064927      -3.28595444      -0.79787550
O       -0.37167000      -0.01062000      -2.28975000      -0.52408294       0.31745716       0.46895738
O        0.11763000       0.00107000      -5.89556000       1.29076567      -1.27752354       0.62791033
O       -2.60151000      -1.01774000      -3.89709000       0.60680647       0.02525286      -0.53854041
O       -1.02713000       3.34738000      -6.64046000       1.41958180      -0.10976217       0.24500137
O       -1.64739000       1.93994000      -3.86417000      -0.56965392      -0.83886913       0.18299225
O       -3.39906000       1.42115000      -6.52883000      -0.95954069       0.95447920       0.21723527
O       -5.08728000       1.48790000      -4.50580000       0.12998214       0.69112811      -0.33440309
O       -5.01828000      -2.20265000      -5.62233000       0.42307771       1.01717415       0.46577750
Zn      -2.39112000      -1.02854000      -1.86528000       0.32211899       1.92029281      -1.78310190
Zn      -0.98037000       0.15437000      -4.48115000      -1.12877902       0.14310208       2.62267432
Zn      -2.77159000      -4.01961000      -1.92561000       0.09379560      -1.17236323      -1.73658880
Zn      -3.01738000      -2.60969000      -5.13411000      -1.00224910       0.94081517       1.77671850
Zn      -3.52811000       0.66261000      -3.67676000      -1.05247198       0.67477097      -1.41675721
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.20854287 magmom=-5.78e-05 free_energy=-70.20854287 stress="-0.01531716740926245 0.0060534844561376845 0.008738024452640922 0.0060534844561376845 0.006219730553192204 0.002229854595067126 0.008738024452640922 0.002229854595067126 -0.01249796135459874" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50345000       2.23881000      -5.98068000      -1.00856262       2.25187493      -0.19940281
O       -0.38620000      -0.07989000      -2.22270000       0.84271905       0.02890330       0.42793550
O        0.16132000      -0.09544000      -5.76305000      -0.05937290       0.99170312      -0.59874494
O       -2.53623000      -0.97691000      -3.88321000       0.00929914      -0.88696347      -0.57850463
O       -0.90146000       3.40876000      -6.63356000      -1.53396980      -1.22052341       1.13970595
O       -1.69255000       1.97207000      -3.82982000      -0.30000654      -0.43629497      -1.06784407
O       -3.27451000       1.45080000      -6.59975000       1.00408691      -1.03123051      -1.34935581
O       -4.93495000       1.37643000      -4.63069000      -1.03723796       0.13165330       0.45165183
O       -4.86087000      -2.25765000      -5.59077000      -2.62011062      -0.85381088      -0.82660011
Zn      -2.40427000      -0.97557000      -1.90633000       1.02491198      -1.16652849       0.73539898
Zn      -1.00986000       0.18313000      -4.35057000       0.56766184       0.25890447       0.76832968
Zn      -2.82766000      -3.98124000      -2.00636000       1.54825153       0.98049259       0.11602660
Zn      -3.13486000      -2.51736000      -5.07804000       1.96721497       0.14953646       0.91880637
Zn      -3.55782000       0.59108000      -3.70363000      -0.40488499       0.80228356       0.06259744
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.19239593 magmom=0.000541 free_energy=-70.19239593 stress="0.020762363292625076 -0.006640175703405197 -0.01506786234213411 -0.006640175703405197 0.0024568308006108187 0.002923912382182228 -0.01506786234213411 0.002923912382182228 0.017890533601524893" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40124000       2.15438000      -6.08056000      -0.00107167      -1.22409966      -0.00577365
O       -0.32963000      -0.11575000      -2.13110000      -0.49529044       0.09164855      -1.42261421
O        0.21256000      -0.02605000      -5.76518000      -1.23168938      -0.04112849      -0.02440421
O       -2.46287000      -1.06854000      -3.95666000      -0.33750153       1.26740057       1.11814295
O       -0.97369000       3.29263000      -6.42334000       0.80897676       0.54189247      -1.64080575
O       -1.82127000       1.90150000      -3.94467000      -0.87998809       0.12086554       0.76945960
O       -3.11125000       1.39428000      -6.85337000      -1.60504965       0.81776463       0.68200466
O       -4.97073000       1.32201000      -4.69804000       0.11124197       0.21204259      -0.63263755
O       -5.07245000      -2.33678000      -5.64677000       0.87607754       0.51988018       0.18750263
Zn      -2.36742000      -0.97494000      -1.91767000       0.46026154      -0.93750705       0.89536020
Zn      -1.01293000       0.21978000      -4.17663000       2.14160188      -0.74273460      -1.25243885
Zn      -2.81923000      -3.91359000      -2.08705000       0.12494133       0.18903733       0.77309047
Zn      -3.17867000      -2.41988000      -4.98380000      -0.25885209      -0.80299175      -0.55933290
Zn      -3.61209000       0.56221000      -3.73539000       0.28634182      -0.01207030       1.11244662
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.47968796 magmom=-0.000314 free_energy=-70.47968796 stress="0.021285637561588865 -0.0034369770901103392 -0.0038596285701087674 -0.0034369770901103392 0.0050871428681379 0.013535216953279363 -0.0038596285701087674 0.013535216953279363 0.004673397896831925" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36886000       2.07180000      -6.16092000      -2.25253968       2.43970025      -0.37253598
O       -0.31857000      -0.14056000      -2.30172000       0.90746011      -0.32416005       0.48123148
O        0.02338000       0.01536000      -5.75511000       0.04019987      -0.80352741       0.54846263
O       -2.48824000      -0.96477000      -3.84886000      -0.26713276      -0.85924129      -0.53366127
O       -0.94287000       3.28517000      -6.51268000      -0.03459556       0.64383937       0.34930891
O       -2.09062000       1.85338000      -3.92616000       0.61097883       0.53892552       0.02229059
O       -3.16218000       1.41685000      -7.02381000       0.02303949      -0.20306262       0.18318788
O       -4.99127000       1.27103000      -4.83160000       0.34458497      -0.78387486       0.23116742
O       -5.10554000      -2.36039000      -5.68921000       0.90080110      -0.95992050      -0.25862182
Zn      -2.30739000      -1.01615000      -1.88175000       0.08963256       0.84176057       0.36037521
Zn      -0.90844000       0.22257000      -4.08689000       0.49264846       0.09313967      -1.31532930
Zn      -2.80131000      -3.84426000      -2.11912000      -0.76749431      -0.67598014       0.27947951
Zn      -3.21351000      -2.37092000      -4.92780000       0.53857022      -0.65214573      -0.88898851
Zn      -3.65170000       0.54488000      -3.70607000      -0.62615329       0.70454722       0.91363323
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.92914325 magmom=-0.0002538 free_energy=-69.92914326 stress="-0.001213647100298519 -0.0016931538350905889 -0.020149682813296987 -0.0016931538350905889 0.010962944054962958 0.003425349920072932 -0.020149682813296987 0.003425349920072932 -0.035915639626090345" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.44752000       2.08591000      -6.25074000       2.32290185      -0.62381827       2.01209883
O       -0.23963000      -0.21143000      -2.45728000      -1.39190287       0.03045692       1.41353706
O       -0.14974000      -0.06856000      -5.69125000       1.43148706       0.86192179      -1.21570375
O       -2.54780000      -0.98987000      -3.79900000       0.36120914      -0.05637984       0.05065225
O       -0.89648000       3.39289000      -6.54301000      -0.25722792      -0.96475922       1.17689294
O       -2.22543000       1.92600000      -3.88873000       1.54723817      -0.26237067      -0.38443111
O       -3.26181000       1.42587000      -7.13099000       0.06330714      -0.15884402       0.01690191
O       -4.93801000       1.07760000      -4.96626000      -0.13292772       0.46269095      -0.67972075
O       -4.91594000      -2.46642000      -5.74778000      -1.28872689      -0.08235289      -0.56801735
Zn      -2.24347000      -1.02141000      -1.82057000      -0.54080345       0.74113311      -0.07584419
Zn      -0.77885000       0.22697000      -4.06552000      -2.49132599       0.83706456      -1.33504283
Zn      -2.82782000      -3.80968000      -2.13847000      -1.06947591      -0.74087871      -0.51049745
Zn      -3.22151000      -2.36151000      -4.92161000       1.34926698      -0.36972401      -0.45023178
Zn      -3.72395000       0.56150000      -3.62203000       0.09698040       0.32586032       0.54940623
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.23571328 magmom=-0.0002864 free_energy=-70.23571328 stress="0.022975777103537674 -0.008223885893067702 -0.003897159051592123 -0.008223885893067702 0.0057211114124378565 0.00701445098130844 -0.003897159051592123 0.00701445098130844 -0.006247164856894659" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43036000       2.05309000      -6.26479000       0.35517740      -2.20298622      -1.93574837
O       -0.42189000      -0.28528000      -2.30643000       0.73576074       1.00979661      -0.24285952
O       -0.03282000      -0.01766000      -5.80883000       0.28842412      -1.02379419       0.82155145
O       -2.54719000      -1.04333000      -3.74528000      -0.29476846       1.24431922      -0.03307703
O       -0.89231000       3.33644000      -6.33500000       0.24032320       0.03560801      -1.41074094
O       -2.02591000       1.93369000      -3.93694000      -0.04212367      -1.33371761      -0.12665909
O       -3.32050000       1.37607000      -7.29479000      -0.62329074       0.73537131       0.50910785
O       -4.87689000       0.87619000      -5.16654000       0.69444006       0.23475110       1.68584611
O       -4.89924000      -2.50402000      -5.88552000      -0.07030010       0.92621003       0.73093418
Zn      -2.19357000      -0.97148000      -1.75246000      -0.49555890       1.06974715      -0.87106212
Zn      -0.75691000       0.27714000      -4.12845000      -1.52660144      -0.33383760      -0.07894176
Zn      -2.92952000      -3.81439000      -2.18491000      -0.18149770       0.04068279       0.84689194
Zn      -3.15313000      -2.37215000      -4.94673000       0.14759825       0.28110007       0.31244833
Zn      -3.81479000       0.60413000      -3.48208000       0.77241722      -0.68325066      -0.20769104
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.56055536 magmom=5.22e-05 free_energy=-69.56055536 stress="0.001531055607823784 0.016159103018912307 0.005100804888739019 0.016159103018912307 0.022375292458143455 5.863304880400362e-06 0.005100804888739019 5.863304880400362e-06 0.019972143223524436" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40384000       1.93122000      -6.32978000       0.22599104       1.80798506       2.25260419
O       -0.43702000      -0.19111000      -2.07621000       0.46005503       0.39137485      -1.55517762
O        0.17328000      -0.10272000      -5.83174000      -0.93553367       0.03009694       0.10568757
O       -2.59488000      -0.88888000      -3.70452000       0.04114360      -0.87567542      -0.77107858
O       -0.87549000       3.28888000      -6.35712000      -0.70666807       1.30144996      -0.51886500
O       -1.82333000       1.76467000      -3.99635000      -1.65083635       2.82011752       0.65652789
O       -3.39682000       1.38818000      -7.47327000       0.36670869      -0.17049207      -0.54503954
O       -4.66033000       0.75043000      -5.10796000       0.49826091       1.19960312      -0.16405449
O       -4.96444000      -2.48145000      -5.94685000       0.58603135      -2.13984378       0.27394613
Zn      -2.16843000      -0.88368000      -1.71561000      -0.07711261      -2.17937810      -0.22477300
Zn      -0.81840000       0.31193000      -4.23096000       0.50939714      -2.50567323      -0.34596512
Zn      -3.04983000      -3.81882000      -2.20250000       1.36615760       0.81062238       0.65100383
Zn      -3.06293000      -2.37056000      -4.95230000      -0.74179978       0.34204426       1.29675491
Zn      -3.87653000       0.61656000      -3.33798000       0.05820511      -0.83223151      -1.11157119
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.79940919 magmom=-0.0001107 free_energy=-69.79940919 stress="0.013903658929236576 -0.018044733136577798 -0.011577512728114825 -0.018044733136577798 0.003909483435647946 0.0008989224666634208 -0.011577512728114825 0.0008989224666634208 -0.004484566187473356" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36358000       1.88892000      -6.31993000      -0.50065329       0.38641274      -3.07767243
O       -0.37071000      -0.02625000      -2.18646000      -0.30558184      -0.88732732      -0.03674544
O        0.18039000      -0.18304000      -5.80876000      -0.30946400       1.23113338      -0.20771806
O       -2.61275000      -0.87782000      -3.79633000       0.76754098       0.32681369       0.69440269
O       -2.03781000      -2.56517000      -6.53601000       0.01168054      -0.75972744       1.27094929
O       -1.88421000       1.99897000      -3.96000000       0.46595650      -1.39170372       0.01153876
O       -3.44560000       1.41004000      -7.64909000      -0.22904511       0.29680760       1.38374783
O       -4.39006000       0.84529000      -5.04761000      -0.93127103      -0.59809762      -0.16075944
O       -4.85307000      -2.72276000      -5.88026000       1.30154077       1.69120463       0.90535089
Zn      -2.15321000      -0.89392000      -1.70394000       0.41442701      -0.65297440      -0.80404526
Zn      -0.87732000       0.24417000      -4.32340000      -1.26092292       0.03134396       1.25344456
Zn      -3.08466000      -3.77699000      -2.18117000       1.55770585       0.84936586       0.21734994
Zn      -3.02011000      -2.35060000      -4.89340000      -0.52587255       0.46498550       0.17089302
Zn      -3.92892000       0.57870000      -3.27207000      -0.45604090      -0.98823686      -1.62073635
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.81916338 magmom=-0.0002261 free_energy=-69.81916338 stress="0.0028750202631842073 -0.008739273359892483 0.006949665864204327 -0.008739273359892483 0.00917972554901982 0.007234072872822687 0.006949665864204327 0.007234072872822687 -0.007483729205843122" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34941000       1.94057000      -6.40909000       0.68141341       1.57106741       2.39047333
O       -0.35439000      -0.04361000      -2.31890000       0.49583680      -0.26305786       0.83183393
O        0.11448000      -0.01623000      -5.81699000       0.20186618      -0.57049636       0.60394969
O       -2.48434000      -0.83730000      -3.74591000      -0.88875856      -0.49643418       0.52159224
O       -2.10753000      -2.53677000      -6.46855000       1.36366644      -0.42978429      -0.82210642
O       -1.88003000       1.99450000      -3.88803000       0.50556964      -0.94547908      -0.19172128
O       -3.45342000       1.43729000      -7.66550000       0.98472606      -0.09992982      -0.53788663
O       -4.33182000       0.85977000      -5.09972000      -1.17146288      -0.05812682      -1.44151586
O       -4.57583000      -2.80066000      -5.71925000      -2.82809570      -0.67278879      -2.03990413
Zn      -2.11730000      -0.94063000      -1.73839000       0.14753532       1.81301797      -0.92939702
Zn      -0.99637000       0.16917000      -4.34764000      -0.33948838       1.11308827       1.07455148
Zn      -3.03694000      -3.69871000      -2.14894000       0.19933295      -0.75513087       0.04731061
Zn      -3.01191000      -2.30381000      -4.81621000       0.34238077       0.02025815       0.75726268
Zn      -3.99639000       0.49078000      -3.28657000       0.30547795      -0.22620373      -0.26444263
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.95224693 magmom=-0.0002933 free_energy=-69.95224693 stress="-0.00015061835684476867 -0.0037050971677741263 -0.0021797154912023544 -0.0037050971677741263 -0.005991995224101076 -0.0025355157335722376 -0.0021797154912023544 -0.0025355157335722376 -0.004888719032792418" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30470000       2.02935000      -6.45041000       0.90873416      -2.38384501      -0.76053665
O       -0.29213000      -0.11426000      -2.30391000      -0.36601104       0.61322709      -0.27651855
O        0.07445000       0.06447000      -5.70700000       0.06540936      -0.52541310      -0.23886974
O       -2.53997000      -0.89980000      -3.60111000      -0.94159758      -0.35129233      -1.40280008
O       -1.94469000      -2.60086000      -6.49013000      -0.53427638       0.34759733       0.54430866
O       -1.78354000       1.80953000      -3.83428000      -0.70500712       2.49856583      -0.16223235
O       -3.28329000       1.49808000      -7.71111000      -0.15893186       0.83494310       0.59236380
O       -4.52544000       0.80003000      -5.35741000       0.24510559      -0.14894854       0.86780291
O       -4.64092000      -2.74797000      -5.78227000       0.07799744       1.62422116       0.63508364
Zn      -2.06565000      -0.90154000      -1.81524000       0.21858636       0.61982662       2.10594581
Zn      -1.14077000       0.14576000      -4.31476000       1.02665944       0.29000253      -0.05183466
Zn      -2.96331000      -3.65069000      -2.11354000       0.20360463      -0.99406018      -0.07279192
Zn      -2.99641000      -2.26172000      -4.71357000       0.10723718      -2.67093615      -1.58768617
Zn      -4.06193000       0.37502000      -3.33203000      -0.14751018       0.24611166      -0.19223470
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.63858687 magmom=-3.15e-05 free_energy=-69.63858687 stress="0.00384617153939187 0.007171793147413777 0.01202375584558274 0.007171793147413777 0.005012988659133979 0.00042266728349953466 0.01202375584558274 0.00042266728349953466 0.003354295431746198" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22324000       2.02521000      -6.47820000      -1.88082082       1.62057955       1.79727489
O       -0.25254000      -0.07424000      -2.33514000       0.56780648       0.00108684      -0.55835192
O        0.05615000       0.02260000      -5.62477000       0.10481569       0.88264924      -0.45189756
O       -2.75334000      -0.96243000      -3.61099000       1.70444381       0.76665228      -0.24546397
O       -1.86844000      -2.60219000      -6.43906000      -0.62622084       0.37313699      -0.05231188
O       -1.79396000       2.01467000      -3.84224000      -0.07596505      -1.87700276       0.39154951
O       -3.13600000       1.65908000      -7.67942000      -1.35371815      -1.45391886       0.34296332
O       -4.66103000       0.73421000      -5.47754000       1.47184018       0.84974900       0.52962008
O       -4.77969000      -2.52274000      -5.82124000      -0.27079962      -2.04504409      -0.37891084
Zn      -2.00885000      -0.82110000      -1.80228000      -0.22062423      -0.72161222       1.75280451
Zn      -1.23608000       0.15764000      -4.27607000       0.25363378       0.89615492       0.18428912
Zn      -2.88218000      -3.65839000      -2.08060000      -0.11262068      -0.91379510       0.08699603
Zn      -2.97992000      -2.36647000      -4.70781000      -0.21770741      -0.78273333      -2.92305475
Zn      -4.12384000       0.28595000      -3.38972000       0.65593687       2.40409755      -0.47550654
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.28984223 magmom=-0.0002014 free_energy=-70.28984223 stress="0.002591654431910682 -0.0014951392180494363 0.016724239214413582 -0.0014951392180494363 0.0038828474584117465 0.01047019950373751 0.016724239214413582 0.01047019950373751 -5.6382966039595333e-05" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26576000       2.06578000      -6.43378000      -0.63435659       0.64169830      -0.38117536
O       -0.15992000      -0.02728000      -2.48673000      -0.84688731      -0.44176037       0.51258177
O        0.05491000       0.14589000      -5.65076000      -0.40791654      -0.28764474       0.11281704
O       -2.64583000      -0.89052000      -3.67440000      -0.80405913      -1.75155320       0.04066382
O       -1.92479000      -2.52910000      -6.40891000       0.45708762      -0.43167257      -1.00437585
O       -1.84832000       1.91871000      -3.76324000      -0.50415408       0.85972073      -0.32040106
O       -3.20199000       1.57179000      -7.60134000       0.49660365       0.13972798      -0.17629169
O       -4.50499000       0.79859000      -5.39647000      -0.13674797       0.00021440       1.04742212
O       -4.90423000      -2.50413000      -5.81981000       0.71502968      -0.34617551       0.46133832
Zn      -1.96531000      -0.77421000      -1.69184000      -0.58519175       0.11679001      -0.18227005
Zn      -1.30097000       0.21320000      -4.23575000       2.07354715       0.09173037      -1.56922573
Zn      -2.80700000      -3.71421000      -2.04093000      -0.06507839       0.33129431       0.79448035
Zn      -2.97769000      -2.52266000      -4.86188000      -0.36447234       0.82827774       0.49909313
Zn      -4.15922000       0.31064000      -3.46842000       0.60659602       0.24935256       0.16534320
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9170941 magmom=8.1e-05 free_energy=-69.9170941 stress="0.013797717045054513 0.0005583705306805086 0.011811648656157947 0.0005583705306805086 0.014823012058521733 0.01720480847875321 0.011811648656157947 0.01720480847875321 -0.0030592748492064377" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34525000       2.10596000      -6.40784000       1.61564330      -0.29731580      -0.05839752
O       -0.23723000      -0.06345000      -2.52094000      -0.36041260      -0.10753994       1.13525994
O       -0.01195000       0.20091000      -5.65327000       0.44257925      -0.69538180      -0.00939543
O       -2.60646000      -1.11911000      -3.75561000      -0.25260305       0.86424690       0.18680410
O       -1.91412000      -2.54633000      -6.56321000      -0.22629296      -0.72409019       0.03365469
O       -1.99122000       1.91077000      -3.71268000       0.10325759       0.53982104      -0.71152516
O       -3.24251000       1.50010000      -7.51934000      -0.02219358       1.31292989       0.26201486
O       -4.37352000       0.94322000      -5.20487000      -1.30904366       0.51640230      -1.53085350
O       -4.87889000      -2.51750000      -5.71847000      -0.32909111      -0.30330977      -0.84905842
Zn      -1.95471000      -0.72520000      -1.59600000      -0.70818438      -0.06603606      -1.37677221
Zn      -1.27461000       0.26234000      -4.26783000      -0.38005133      -0.79448588      -0.11922678
Zn      -2.74199000      -3.75336000      -1.97071000      -0.37531930       0.62000995      -0.29127277
Zn      -2.99375000      -2.61558000      -4.99931000       0.05499579       0.67582272       1.11816207
Zn      -4.15238000       0.35552000      -3.52311000       1.74671603      -1.54107337       2.21060612
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.77558105 magmom=0.0002892 free_energy=-69.77558105 stress="-0.005346829674572668 0.005473243833517809 0.01248492292317439 0.005473243833517809 0.010870818425314024 0.013692236707989294 0.01248492292317439 0.013692236707989294 0.0007088240243032262" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35625000       2.13735000      -6.41209000       0.19427423       1.19468467       2.13876744
O       -0.39144000      -0.11209000      -2.32180000       1.25013676       0.86520019      -0.72440294
O        0.03194000       0.13039000      -5.64313000       0.69819733       0.60479892       0.29662944
O       -2.65284000      -1.18678000      -3.79067000       0.52678877       1.36036028      -0.28066925
O       -0.88358000       3.32899000      -6.64483000      -0.39049748       1.13229801       1.49655586
O       -3.17745000      -3.99634000      -3.83378000       0.96213501      -1.74043933       0.70338671
O       -3.20298000       1.67015000      -7.47160000       0.14054044      -0.24787078      -0.68918880
O       -4.53381000       1.06715000      -5.15570000      -0.35749178      -0.25434774      -0.53743970
O       -4.85768000      -2.47217000      -5.73018000      -1.08620587      -0.60110194      -1.21413317
Zn      -1.98627000      -0.69438000      -1.57512000      -1.01326582      -2.34742545      -0.34538291
Zn      -1.25776000       0.26642000      -4.31023000      -1.24827897      -0.24718806       0.96952690
Zn      -2.70611000      -3.76608000      -1.92792000      -1.16905942      -0.50849685      -2.00869751
Zn      -3.00933000      -2.65697000      -5.07707000       0.43040986       1.53049380       0.37462452
Zn      -4.04843000       0.32022000      -3.47712000       1.06231694      -0.74096572      -0.17957657
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.59507396 magmom=1.57e-05 free_energy=-69.59507396 stress="-0.006173424247734474 0.00779689545323816 0.013058141598367282 0.00779689545323816 0.002311017450842084 -0.004996158698160926 0.013058141598367282 -0.004996158698160926 0.004874533792722785" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35891000       2.20483000      -6.34236000      -0.72565972      -0.64916897      -0.48507977
O       -0.37425000       0.03002000      -2.21200000      -0.51004422       0.39577262      -0.95723658
O        0.22416000       0.11877000      -5.58856000      -1.24978023      -0.86035455      -0.29958818
O       -2.57900000      -1.00284000      -3.89662000       0.05314776      -2.51604397      -0.12907621
O       -0.96299000       3.38443000      -6.50400000       2.11652717       0.18076424      -0.98772361
O       -2.04814000       1.82947000      -3.73281000      -0.26550618       2.13151908      -0.75495551
O       -3.18327000       1.85647000      -7.51250000      -1.00785048      -0.81036101       0.77892521
O       -4.80640000       1.10225000      -5.15245000       1.60678417       0.15391397       0.18200415
O       -4.96560000      -2.34104000      -5.88400000       0.67521225       0.70599630       1.29297417
Zn      -2.08117000      -0.78250000      -1.58648000       0.23676909      -0.62755503      -0.48887122
Zn      -1.29687000       0.24965000      -4.31259000       2.43985349      -0.42264794      -0.94130334
Zn      -2.72523000      -3.79802000      -1.98330000       0.12676591       0.48850929       0.11337428
Zn      -3.01707000      -2.62046000      -5.12252000      -1.66427293       0.44772529       3.59935490
Zn      -3.86300000       0.23451000      -3.42717000      -1.83194608       1.38193069      -0.92279828
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.87099163 magmom=-0.000176 free_energy=-69.87099163 stress="0.020354923936985216 -0.00420962576936886 0.00671890972583589 -0.00420962576936886 0.024806205766599587 -0.004274024842892028 0.00671890972583589 -0.004274024842892028 0.02188226952936948" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.41538000       2.29090000      -6.27921000      -0.72349803       2.38589700      -0.31470860
O       -0.38037000       0.24663000      -2.29232000       0.19352054      -0.98167182       0.30345756
O        0.19549000      -0.02409000      -5.59950000      -0.41709953       0.39679837      -0.68659322
O       -2.49699000      -1.18633000      -3.99497000       0.17217072       1.88868235       2.06793580
O       -1.79236000      -2.54654000      -6.50515000      -1.29843655      -1.96957308      -0.10465226
O       -1.99308000       1.95852000      -3.85841000      -0.09683757      -1.26348147       0.04141721
O       -3.30592000       1.86361000      -7.44769000       0.34135123      -0.27763634       0.36231853
O       -4.79018000       1.13575000      -5.10270000       1.09013989       0.52401159      -0.04058879
O       -4.97617000      -2.15360000      -5.83599000       0.13120958      -2.27449774       0.28872169
Zn       0.06447000       1.65337000      -6.45716000       0.87698294       0.26994099      -0.16189702
Zn      -1.23280000       0.21643000      -4.34660000       0.86559474       0.22960331       0.30536147
Zn      -2.74004000      -3.80958000      -2.04842000       0.99414792       0.38389661      -0.26577167
Zn      -3.09532000      -2.55563000      -5.01997000      -0.80483282      -0.26734014      -1.38231735
Zn      -3.75029000       0.20428000      -3.42654000      -1.32441307       0.95537037      -0.41268337
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.28649424 magmom=-0.0003065 free_energy=-70.28649424 stress="0.0002988381266984969 0.0024995312239672897 -0.004381301118034639 0.0024995312239672897 -0.007759144328165696 -0.009608738543640095 -0.004381301118034639 -0.009608738543640095 0.013473338394628009" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.49151000       2.43135000      -6.26304000       1.23496374      -3.10825299       0.05318059
O       -0.39814000       0.26759000      -2.33329000      -0.19403841      -0.13771969       0.24859678
O        0.10290000      -0.08519000      -5.71365000       0.79745260      -0.07498017       0.54918721
O       -2.42849000      -1.13941000      -3.74487000      -0.27089549      -0.54602196      -0.39381938
O       -0.70804000       3.24164000      -6.43627000      -1.48260551       1.18095236       0.50929203
O       -1.97326000       1.87485000      -3.93750000      -0.14966041      -0.16613318       0.54224489
O       -3.36085000       1.82647000      -7.32273000       0.04958683       0.64123171      -0.15071579
O       -4.58655000       1.24655000      -5.04349000      -0.54198287       0.54935197      -0.31579454
O       -4.92743000      -2.22425000      -5.67886000      -0.24293236       1.59322427       0.20852496
Zn      -2.20632000      -1.02172000      -1.66203000       0.87055072       0.41635937      -0.49497588
Zn      -1.12663000       0.19959000      -4.36291000      -0.03329023      -0.09323608       0.87144632
Zn      -2.71853000      -3.81712000      -2.12156000      -0.48063407      -1.72846303      -1.27985039
Zn      -3.19471000      -2.49963000      -4.96869000       1.66387389       0.04513894      -0.09641467
Zn      -3.73341000       0.23442000      -3.44657000      -1.22038841       1.42854848      -0.25090212
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.43758723 magmom=-0.000242 free_energy=-70.43758723 stress="0.009265895599317437 0.007032784440690299 -0.002155320427953657 0.007032784440690299 0.02787661749657707 0.0028667052623116145 -0.002155320427953657 0.0028667052623116145 0.0049956919081764195" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.48263000       2.44360000      -6.24367000       1.79521901       0.56968495       1.27270612
O       -0.43420000       0.22460000      -2.29196000       0.04087811      -0.21941180       0.47899235
O        0.16299000      -0.16266000      -5.72444000      -0.03741589      -0.38467311      -0.01398831
O       -2.42234000      -1.12727000      -3.61450000      -0.71783318      -0.41032401      -1.71652971
O       -0.97576000       3.21784000      -6.35613000       0.85714822       0.23521684      -0.69402076
O       -2.01345000       1.74612000      -3.90164000      -0.60368528       0.78389794      -0.91248220
O       -3.34109000       1.88726000      -7.29589000      -0.18956619       0.50369819      -0.16305772
O       -4.52209000       1.35737000      -4.97779000      -0.94806764      -0.26064246      -0.32430798
O       -4.98108000      -2.11875000      -5.56382000      -1.00997565      -1.01417347      -1.19202652
Zn      -2.19022000      -1.07008000      -1.71188000       0.13204600       1.04474997       0.41194882
Zn      -1.03986000       0.17514000      -4.33489000       0.07714824      -0.72468564       0.27305906
Zn      -2.71562000      -3.89444000      -2.22650000      -0.12967143      -0.43160793       1.39967911
Zn      -3.20197000      -2.45518000      -4.94818000       0.99279294      -0.35112139       0.76326036
Zn      -3.77852000       0.32638000      -3.47425000      -0.25901725       0.65939191       0.41676738
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.37620205 magmom=-0.0002673 free_energy=-70.37620205 stress="0.028008128459391386 -0.014330943337904436 -0.011679416299718859 -0.014330943337904436 0.02178558290444379 -0.01047172477253015 -0.011679416299718859 -0.01047172477253015 0.014479075764079457" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39279000       2.46013000      -6.16939000      -2.00398756      -0.91964337      -1.43475930
O       -0.47019000       0.13274000      -2.15629000       0.11502594      -0.05637466      -0.48632666
O        0.22366000      -0.30281000      -5.73048000      -0.59190773       1.13789551      -0.44719512
O       -2.54168000      -1.16633000      -3.78193000       0.62589126       2.11066037       1.45539999
O       -1.07719000       3.28838000      -6.43408000       1.46021541      -0.27539554      -0.29023947
O       -2.16453000       1.77495000      -4.01956000       0.69248855      -0.66923173       0.18798302
O       -3.31251000       2.04034000      -7.34407000      -0.07747747      -0.09232471       0.17595753
O       -4.67399000       1.38044000      -4.95286000      -0.03559908      -0.54995110       0.04694217
O       -5.17797000      -2.08619000      -5.63321000       1.17146821       1.11541547       0.67639893
Zn      -2.16129000      -1.06510000      -1.74987000      -0.16948122      -0.02249395      -0.00887452
Zn      -0.95292000       0.11180000      -4.28688000      -0.59692886      -0.26118290       0.09424421
Zn      -2.72448000      -4.00745000      -2.26789000      -0.30006351      -0.19003000       1.05810921
Zn      -3.15290000      -2.43583000      -4.89236000      -0.31129132      -1.20767691      -1.17002736
Zn      -3.84272000       0.45619000      -3.47793000       0.02164740      -0.11966649       0.14238737
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.01883349 magmom=-0.0004475 free_energy=-70.01883349 stress="0.018482870711977874 -0.005707966937773457 -0.010275268423140383 -0.005707966937773457 0.031504157484707696 0.005348998218261855 -0.010275268423140383 0.005348998218261855 0.03323571231704245" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40741000       2.46321000      -6.14300000      -0.82735194       0.73326225       0.33190013
O       -0.46435000       0.02991000      -2.11998000       0.52186189       0.69155684      -1.02625644
O        0.15501000      -0.21796000      -5.83802000      -0.50220036       0.23361067      -0.00012938
O       -2.58412000      -0.88175000      -3.77377000      -0.01825542      -1.81936143      -0.64221692
O       -0.85980000       3.30492000      -6.55382000      -1.17958150      -0.40822189       2.11743971
O       -2.18049000       1.71076000      -4.14900000       0.96917420       0.73385297       0.48371164
O       -3.29821000       2.18936000      -7.36669000      -0.65981302      -0.46808888       0.92969509
O       -4.86842000       1.30317000      -4.95608000       0.90364042       0.95802333      -1.01537151
O       -5.17941000      -1.98195000      -5.63473000       0.45077694      -1.96629979      -0.04361090
Zn      -2.14114000      -1.05740000      -1.78922000      -0.59698898      -0.31691542       0.03870373
Zn      -0.88979000       0.02434000      -4.23002000      -0.43045848       0.19198251      -0.76204739
Zn      -2.74688000      -4.13858000      -2.24591000       0.69726161       1.28099057       0.18503360
Zn      -3.10733000      -2.46247000      -4.87124000       0.58586297       0.35630673      -0.32740472
Zn      -3.91666000       0.59464000      -3.47641000       0.08607165      -0.20069846      -0.26944663
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.96467082 magmom=-0.0001567 free_energy=-69.96467082 stress="0.013762451694614068 -0.003351450776580949 0.0013405897715119126 -0.003351450776580949 -0.007571596846758832 0.008222058878516373 0.0013405897715119126 0.008222058878516373 0.0063528438050217744" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.49970000       2.50425000      -6.13281000       0.60110543      -0.07757243      -1.39434813
O       -0.40138000       0.07011000      -2.33209000      -0.52505324       0.72047908       0.27833312
O       -0.04496000      -0.11014000      -5.94030000       0.09546481      -1.60430565       0.67337515
O       -2.62694000      -0.86264000      -3.83692000      -0.33887082      -0.56508054       0.26902788
O       -0.82384000       3.23736000      -6.26099000       0.11210480       0.03565798      -1.62714857
O       -1.98621000       1.74972000      -4.14635000      -0.36633199      -0.43742422       1.60059705
O       -3.35190000       2.22094000      -7.25331000       0.73354917      -0.82576024      -0.51557802
O       -4.91194000       1.31074000      -5.06509000       0.16862373      -0.60223537       0.92028829
O       -5.03884000      -2.11737000      -5.55709000      -0.23938942       0.90105780       0.99181486
Zn      -2.15310000      -1.05119000      -1.84155000      -0.83488305       0.77877265      -0.58329833
Zn      -0.84713000      -0.06642000      -4.21001000      -0.84579798       0.66235872      -1.68609074
Zn      -2.73868000      -4.22047000      -2.20874000       0.10415888       1.34180440      -0.25957383
Zn      -3.02350000      -2.48166000      -4.87395000      -0.17695147       0.77389938       0.84926886
Zn      -3.98894000       0.73729000      -3.48666000       1.51227114      -1.10165156       0.48333242
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.27722306 magmom=0.0001196 free_energy=-69.27722359 stress="0.024815370305520813 0.005625927817807789 -0.006576463713931133 0.005625927817807789 0.0062352333446307655 -0.01722963665280317 -0.006576463713931133 -0.01722963665280317 -0.018526586510280454" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.55005000       2.55702000      -6.18668000       2.95134028      -1.77059098       1.25374170
O       -0.38658000       0.26209000      -2.46501000       0.68807386      -0.43551722       1.22787946
O       -0.21881000      -0.23235000      -5.94085000       1.30205032       1.70700468      -0.43109481
O       -2.71680000      -0.96192000      -3.83172000       0.66296421       1.35010310       0.72654301
O       -0.80716000       3.13365000      -6.25520000      -0.65762028       1.01513060      -0.86030792
O       -1.85168000       1.74714000      -3.87738000      -1.31820397       0.12014939      -2.51325815
O       -3.29545000       2.08578000      -7.19358000      -1.06881595       0.61363553       0.56363391
O       -4.91238000       1.26315000      -5.07729000      -0.01952901       1.31122990      -1.03819692
O       -4.96275000      -2.20617000      -5.32505000      -1.14672542      -0.62887579      -1.16553329
Zn      -2.21767000      -1.02371000      -1.92409000      -0.57238755      -2.00898278       0.32532552
Zn      -0.85520000      -0.13050000      -4.28022000      -1.73127326       0.85599801       0.11541079
Zn      -2.71403000      -4.22894000      -2.17621000      -0.13228029       0.50372143       1.33162927
Zn      -2.94862000      -2.47313000      -4.83164000      -0.49938764      -1.30798687       0.08305718
Zn      -3.98422000       0.83155000      -3.47016000       1.54179468      -1.32501899       0.38117026
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.87435071 magmom=-0.0002763 free_energy=-69.87435071 stress="0.0025805313261502813 -0.006219318551174804 0.0010556776999750864 -0.006219318551174804 -0.02750660935121792 0.010657076759411419 0.0010556776999750864 0.010657076759411419 -0.012725120529982458" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.44357000       2.51546000      -6.18006000      -1.33738990      -0.05993487       1.09365361
O       -0.28919000       0.41644000      -2.36571000      -0.12913699      -0.50721009      -0.65551424
O       -0.11839000      -0.06272000      -5.99663000       0.59023838      -1.49955121       1.31560387
O       -2.69281000      -0.84579000      -3.77469000       0.27837008      -0.89542184      -2.06741148
O       -0.89691000       3.24316000      -6.50039000      -0.70816005       0.40901108       1.69456484
O       -1.98900000       1.74648000      -3.98722000      -0.15080408      -0.04737208       0.13797158
O       -3.28946000       2.00116000      -7.14724000       1.64200028      -0.25079847      -1.35507084
O       -4.92237000       1.32883000      -5.14439000      -0.08727042      -1.49541769       1.32088792
O       -5.06698000      -2.31005000      -5.22569000       0.90116993       1.18652238      -0.19623067
Zn      -2.32160000      -1.09098000      -1.98676000      -0.17709143       1.36448867       0.72702054
Zn      -0.96573000      -0.14590000      -4.36376000      -0.72656405       1.55008297       0.63712764
Zn      -2.69166000      -4.20249000      -2.09098000       0.23586308       0.45283118      -0.71287209
Zn      -2.90751000      -2.51579000      -4.76279000      -0.41360949       0.06123474      -0.63208216
Zn      -3.89014000       0.85921000      -3.44027000       0.08238466      -0.26846476      -1.30764852
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.60874734 magmom=0.000252 free_energy=-69.60874734 stress="0.020226961890018363 -0.02117929922298864 -0.0012551783579240205 -0.02117929922298864 0.01223949406414906 0.004025350779853297 -0.0012551783579240205 0.004025350779853297 0.037665645657635104" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35586000       2.44166000      -6.11686000      -0.66486659      -0.62556460      -0.55639595
O       -0.21104000       0.44450000      -2.36561000       0.15380837      -0.63537331       0.34360898
O        0.13400000      -0.09211000      -5.83424000      -0.17613544       0.43189146      -0.34467890
O       -2.64917000      -0.89383000      -3.98764000      -0.91601540      -0.42752647       1.89858481
O       -2.15573000      -2.54092000      -6.50346000       1.89970853      -0.63408739      -0.39536227
O       -2.16453000       1.71386000      -4.15256000       1.09730979      -0.38777100       1.18067294
O       -3.14993000       1.95155000      -7.22161000      -1.40411759       0.64019766       1.59796030
O       -4.93374000       1.20736000      -5.04237000       0.80918984       1.09313409      -1.00830847
O       -5.03911000      -2.25737000      -5.23636000       0.23520565      -0.89605090      -0.99383042
Zn      -2.43624000      -1.11167000      -2.02090000      -0.35081375       0.62011543       0.37845980
Zn      -1.09881000      -0.07553000      -4.41233000       1.57964716       1.80814641      -0.15628979
Zn      -2.66199000      -4.15941000      -2.02858000       0.01978312      -0.38587831      -0.61711173
Zn      -2.89241000      -2.55864000      -4.73022000      -0.93184384      -0.20089060      -0.69961841
Zn      -3.79607000       0.86242000      -3.47082000      -1.35085983      -0.40034247      -0.62769090
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.97015245 magmom=1e-06 free_energy=-69.97015245 stress="0.0004457531277939866 -0.008340301135668651 0.0062534315567513744 -0.008340301135668651 0.0012165993715641168 0.002103147946521328 0.0062534315567513744 0.002103147946521328 0.001851728100063411" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36113000       2.37159000      -6.10607000      -0.82185778       1.94111400      -0.82669555
O       -0.14773000       0.34290000      -2.32332000      -1.10425776       0.02903941      -0.30034488
O        0.28138000      -0.12806000      -5.71959000      -1.26951336       0.88029430      -1.09453489
O       -2.72835000      -0.98099000      -3.84844000       0.46585424       0.50277644      -0.51962384
O       -1.98216000      -2.50556000      -6.48171000      -0.29253561      -1.32733770      -0.13453317
O       -2.08191000       1.64239000      -4.04683000       0.63808769       1.13021144       0.88694760
O       -3.15884000       1.97514000      -7.09550000       1.27286301      -0.90479961      -0.91100469
O       -4.83305000       1.19162000      -5.05514000      -0.54665275      -0.91105724       0.65328603
O       -4.92199000      -2.29270000      -5.37778000       0.06837474       0.01958705       0.37051857
Zn      -2.54335000      -1.07900000      -2.02839000       0.62479874      -0.52281712       2.36264004
Zn      -1.13858000       0.06213000      -4.45489000       1.08298029      -0.50340401       0.05251395
Zn      -2.62831000      -4.13822000      -2.01012000       1.26729916       0.22375808      -0.15022350
Zn      -2.92897000      -2.60426000      -4.74708000      -0.54872958       0.08401507      -1.08305824
Zn      -3.78809000       0.84278000      -3.52774000      -0.83671102      -0.64138010       0.69411258
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.27056802 magmom=-0.0002784 free_energy=-70.27056802 stress="0.02504878724292018 0.011373337891362646 -0.012258132627221521 0.011373337891362646 -0.0030799798573618036 0.005395319821658454 -0.012258132627221521 0.005395319821658454 -0.005433783221510856" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39836000       2.37559000      -6.16297000       1.28503221      -1.64477242      -0.15091272
O       -0.26735000       0.22703000      -2.31364000       0.74591008      -0.02149895       0.17599129
O        0.16820000       0.01719000      -5.83662000      -0.09908981      -1.08755365       0.37548338
O       -2.71489000      -0.95418000      -3.81437000       0.67201582       0.10096290      -1.21359059
O       -0.77137000       3.28513000      -6.42437000      -1.15054535       1.13401291       0.70568195
O       -1.85781000       1.78831000      -3.75572000      -0.74851684       0.03566372      -1.08738440
O       -3.05583000       1.86559000      -7.05324000      -1.55871381       0.15419791       0.19164155
O       -4.81510000       1.10986000      -5.04432000      -0.22002235       1.56387114      -1.32192124
O       -4.81741000      -2.31799000      -5.45493000      -1.22957688       0.12168407      -0.08152410
Zn      -0.37893000       1.49976000      -6.75000000       0.55163702      -0.13758976      -0.27212801
Zn      -1.11969000       0.17858000      -4.49010000      -0.27861368      -0.81558593       1.01986833
Zn      -2.53531000      -4.10875000      -2.00050000       0.40856642      -0.03119784       0.92984966
Zn      -2.99428000      -2.64340000      -4.82118000       0.72062592       1.37895912      -0.50465630
Zn      -3.82347000       0.78389000      -3.54178000       0.90129126      -0.75115322       1.23360120
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9965174 magmom=-0.0001261 free_energy=-69.9965174 stress="0.012790346041728986 0.004128748206734537 0.009107813252644861 0.004128748206734537 -0.018233319872944687 0.0076753989356427394 0.009107813252644861 0.0076753989356427394 -0.011255072322173782" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38564000       2.32866000      -6.23358000      -0.08184841       0.87367469       0.30636653
O       -0.29064000       0.13005000      -2.30988000      -0.25672639       0.52507321      -0.74042474
O        0.04674000      -0.04687000      -5.86260000       1.05674194       0.93793192       1.20859250
O       -2.58892000      -0.88719000      -4.03994000      -0.76747119       0.04297289       1.22886958
O       -0.86635000       3.27248000      -6.34525000       0.59126949       0.77885844      -1.60927090
O       -1.80297000       1.94431000      -3.70315000      -0.64581022      -1.12969146      -0.67348140
O       -3.12220000       1.72789000      -7.07733000       0.51802892      -0.00920654      -0.92611171
O       -4.84976000       1.20780000      -5.13485000       0.10261251      -1.04108952       1.97743897
O       -4.93093000      -2.29889000      -5.51674000      -0.27447040      -0.31471989      -0.33344469
Zn      -0.41683000       1.50695000      -6.64143000       0.65378529       0.54268516      -1.76074541
Zn      -1.10992000       0.24508000      -4.46585000      -0.43362121      -0.05378665       1.60905591
Zn      -2.41658000      -4.09322000      -1.94864000      -0.53415170      -2.45462463      -0.86921286
Zn      -3.03210000      -2.60587000      -4.91823000      -0.45603677       1.58357754       0.73012123
Zn      -3.81946000       0.68743000      -3.50169000       0.52769810      -0.28165516      -0.14775301
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.13752469 magmom=-0.0001422 free_energy=-70.13752469 stress="0.022968753146344754 -0.0005627053024589984 -9.297221546374971e-05 -0.0005627053024589984 0.020228762184669125 -0.004618891977280812 -9.297221546374971e-05 -0.004618891977280812 0.03086592078425615" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.38819000       2.27071000      -6.27737000      -0.69463040      -1.64982721       0.75686554
O       -0.30566000       0.12370000      -2.42205000       0.54098331      -0.25666429       0.57783607
O        0.15093000      -0.03955000      -5.67483000      -0.00717588       0.17011832      -1.32137029
O       -2.61781000      -0.84788000      -4.02606000      -0.36504396      -1.29576725       0.91382442
O       -1.95346000      -2.54968000      -6.60517000       0.26014912      -0.70783752       1.09157897
O       -1.90389000       1.91712000      -3.84822000      -0.19049097       1.08606743       0.40775741
O       -3.15789000       1.62461000      -7.25064000      -0.85506320       1.01356822       1.07211918
O       -4.82996000       1.23330000      -4.95912000       0.52379207       0.96374366      -1.56717905
O       -5.09363000      -2.29396000      -5.63323000       0.96702379      -0.08014187      -0.27459025
Zn      -0.41953000       1.54292000      -6.63050000       0.80939402      -0.46285131      -0.48456295
Zn      -1.11965000       0.30377000      -4.35319000       0.59167447      -0.79266218      -0.02240318
Zn      -2.32113000      -4.18530000      -1.92045000      -0.86667435       0.55940305      -0.53055456
Zn      -3.08492000      -2.47916000      -4.98369000       0.08361440       0.43918498       0.40868302
Zn      -3.78835000       0.57359000      -3.46552000      -0.79755241       1.01366596      -1.02800433
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.67236266 magmom=-0.0002764 free_energy=-69.67236266 stress="0.017446509215721044 0.0071451117631986865 -0.006669523366696227 0.0071451117631986865 0.01856187599663669 0.010224886736781923 -0.006669523366696227 0.010224886736781923 -0.00016502500820913242" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43525000       2.16884000      -6.27816000       1.21113241       2.97482445      -1.20926793
O       -0.27132000       0.07506000      -2.45651000      -1.07747020      -0.27016745       0.19480496
O        0.25252000       0.05131000      -5.69311000      -1.10290104      -0.90920686      -0.20269471
O       -2.71897000      -1.02850000      -3.78009000       1.00512264       0.81670504       0.01110519
O       -1.90250000      -2.50315000      -6.61886000      -0.23614529      -0.73139659       1.16977261
O       -2.02986000       2.02013000      -3.91610000       0.66081777      -0.77741949       0.29734514
O       -3.26959000       1.66526000      -7.29735000       0.55244474      -0.51192444       0.08335495
O       -4.72952000       1.32293000      -4.93853000      -0.78222098      -1.66230412       1.33486315
O       -5.05363000      -2.31660000      -5.81487000       0.49806016      -0.32602294      -0.00067826
Zn      -0.37606000       1.55677000      -6.65031000       0.54789275      -0.59013958       0.51479746
Zn      -1.10160000       0.32879000      -4.23451000       0.23584940      -0.42246837      -1.33883634
Zn      -2.27311000      -4.26567000      -1.93101000      -1.02945730       1.97467407      -0.01119712
Zn      -3.14583000      -2.32370000      -5.03009000       0.06444313      -1.04906552      -0.48034162
Zn      -3.79674000       0.51158000      -3.48330000      -0.54756819       1.48391182      -0.36302749
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.53887575 magmom=-4.65e-05 free_energy=-69.53887575 stress="0.022977063927957175 0.006578776611243384 -0.01153624563612157 0.006578776611243384 0.023110787618103784 -0.00505302086230517 -0.01153624563612157 -0.00505302086230517 0.006601056932611558" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.43615000       2.18845000      -6.30527000      -0.00229043      -0.96058705       0.41247374
O       -0.41218000      -0.05195000      -2.39197000       0.79814466       0.17344954       1.05914832
O        0.11969000      -0.07066000      -5.77174000      -0.48344158      -0.21712772       1.05973981
O       -2.63378000      -1.09256000      -3.61538000      -0.39630528       1.00274218      -2.62416993
O       -1.87104000      -2.62736000      -6.36398000       0.31370703      -0.12118851      -1.29626058
O       -2.03080000       2.00211000      -3.91035000       0.23569403      -0.76775696       0.57679970
O       -3.29192000       1.60766000      -7.31398000      -0.25346819      -0.43985039       0.08941386
O       -4.77166000       1.23472000      -4.90618000      -0.40829769       1.19045869      -2.09830658
O       -4.87488000      -2.34306000      -5.99692000      -0.82126010       0.70624820       0.33859802
Zn      -0.29056000       1.53851000      -6.62798000       0.34079057      -0.43777433       1.80802564
Zn      -1.06579000       0.32420000      -4.18466000      -0.04300917      -0.44724775      -1.83294577
Zn      -2.28981000      -4.23858000      -1.94729000      -1.62162196       0.90738274      -0.40689650
Zn      -3.20364000      -2.20278000      -5.08849000       0.93529059      -0.93513244       1.58616316
Zn      -3.83213000       0.52436000      -3.51916000       1.40606751       0.34638380       1.32821711
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.24693562 magmom=-0.0003824 free_energy=-69.24693562 stress="0.020852793241557706 0.007215183700675806 0.005346271084471937 0.007215183700675806 0.0035350257621235164 -0.016344136726277214 0.005346271084471937 -0.016344136726277214 -0.0011736614338193694" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.41423000       2.20778000      -6.34366000       0.76533111      -0.54982544      -1.02541780
O       -0.48872000      -0.15187000      -2.15461000       0.11981665       0.93371013      -1.48099773
O       -0.14457000      -0.23154000      -5.64617000       1.85583627       0.89715404      -1.54574680
O       -2.58369000      -0.91847000      -3.88176000      -0.49734589       0.06649188       1.31987111
O       -0.74550000       3.20359000      -6.22776000      -0.96568581       0.89115793      -0.62580007
O       -1.98654000       1.81348000      -3.76177000      -0.65196008       1.27820535      -0.02316287
O       -3.34073000       1.40485000      -7.33280000      -0.84766571       0.74945233       0.51432932
O       -4.90244000       1.23939000      -5.10504000       1.23541285      -0.61105517       2.21146768
O       -4.81539000      -2.25633000      -6.13946000      -0.70617552      -0.59066426       0.20924309
Zn      -0.16064000       1.48102000      -6.51341000       0.35908106      -0.93128189      -0.55636642
Zn      -1.02337000       0.28635000      -4.22050000      -0.91897617      -0.27830668       1.34825295
Zn      -2.40876000      -4.15656000      -1.99945000      -1.19617218      -0.87990822      -0.58285390
Zn      -3.22470000      -2.11586000      -5.09152000       0.78289088      -1.61748728      -0.01285401
Zn      -3.80723000       0.57314000      -3.49989000       0.66561254       0.64235729       0.25003544
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.65201089 magmom=-0.0001261 free_energy=-69.65201089 stress="0.008828401261364855 -0.002752083348837242 -0.0006537703436697159 -0.002752083348837242 0.0024379934392311916 -0.01847801166591583 -0.0006537703436697159 -0.01847801166591583 8.90685322375664e-05" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.39774000       2.18131000      -6.38701000      -1.74571406      -0.71427552       2.66177629
O       -0.49882000      -0.07581000      -2.18576000       0.30826550      -0.00384322      -0.76621610
O       -0.04867000      -0.21153000      -5.73973000       0.76650300      -0.49740328       1.52020533
O       -2.64593000      -0.78281000      -3.94421000       0.04777439      -1.62910886       0.61075474
O       -0.85883000       3.17074000      -6.31868000      -0.25425565      -0.21502661      -0.21591140
O       -2.06133000       1.86150000      -3.71195000      -0.03014103       0.90474888      -2.28097080
O       -3.46507000       1.29709000      -7.33765000       0.55521701      -0.03605385      -0.78306225
O       -4.77341000       1.21876000      -4.98586000       0.53235239       1.39480429      -1.09773925
O       -4.88344000      -2.26186000      -6.21149000       0.44666771      -0.68994946       0.33077765
Zn      -0.02152000       1.40326000      -6.43216000      -0.12344110       2.72717790      -1.55686235
Zn      -1.02636000       0.23709000      -4.20062000      -0.21685215       0.00748971       0.11924963
Zn      -2.58120000      -4.12188000      -2.06487000      -0.34510469      -0.82111886       0.91177008
Zn      -3.20201000      -2.11522000      -5.08358000       0.19001772      -1.38821687      -0.04803983
Zn      -3.75095000       0.65826000      -3.46358000      -0.13128903       0.96077576       0.59426826
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.0099777 magmom=-0.0004159 free_energy=-70.0099777 stress="0.013064810251411704 -0.013186184959715025 -0.010575177848706756 -0.013186184959715025 0.03027516017914422 0.0022570375968876456 -0.010575177848706756 0.0022570375968876456 0.0033499571023075064" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.44842000       2.12230000      -6.34661000       0.95577133       0.51157245      -2.64212566
O       -0.47666000       0.00320000      -2.34445000      -0.18940937      -0.30679231       1.27761327
O        0.23038000      -0.27185000      -5.67819000      -0.93205148       0.35243383       0.29240490
O       -2.69450000      -0.91344000      -3.83631000       0.53991641       0.42900460       0.51503404
O       -0.99179000       3.13935000      -6.43829000       1.10920625       0.27836995       0.52589597
O       -2.11729000       2.06161000      -4.00127000       0.86454230      -1.05633174       1.22811210
O       -3.53847000       1.25754000      -7.41350000      -0.61840468       0.69305372       0.99100201
O       -4.57324000       1.36785000      -4.91588000      -1.47305322      -0.56895674       0.48158232
O       -4.86067000      -2.38346000      -6.19604000       0.40245013       0.09619103       0.12287053
Zn      -2.14883000      -1.13071000      -1.60009000      -0.50638103       0.33679363      -1.10586903
Zn      -1.05388000       0.19938000      -4.16701000      -0.16847731      -0.12515740      -1.68603322
Zn      -2.75103000      -4.12381000      -2.08829000       0.18883831       0.69675102       0.01151088
Zn      -3.17461000      -2.18976000      -5.07912000      -0.28076694      -0.93711705       0.40030975
Zn      -3.70387000       0.76907000      -3.41074000       0.10781927      -0.39981498      -0.41230786
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.20856881 magmom=-0.0002931 free_energy=-70.20856881 stress="-0.0036971852622854104 -0.007897380385991463 -0.00019022478922942976 -0.007897380385991463 0.030136303515583048 0.000292996660858528 -0.00019022478922942976 0.000292996660858528 0.01855778554873293" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.46982000       2.12100000      -6.38323000       0.38345492       0.63388151       0.90407947
O       -0.49713000       0.01594000      -2.26964000      -0.03630394       0.25382368       0.02399067
O        0.26007000      -0.26012000      -5.55754000      -1.24710809       0.54984155      -1.22814261
O       -2.63755000      -0.98059000      -3.67747000      -0.22109383       0.00572185      -0.78295869
O       -0.89896000       3.17111000      -6.42103000      -0.10515927       0.42309877       0.77157173
O       -2.00074000       2.00647000      -4.00982000       0.17100101      -0.89205043       1.06503281
O       -3.60292000       1.25303000      -7.42016000       0.14728814      -0.35251873       0.01856796
O       -4.69211000       1.42438000      -4.87682000      -0.36805595      -0.40696731      -0.28462599
O       -4.75488000      -2.44901000      -6.16374000      -0.17769810       0.22231466      -0.41364325
Zn      -2.08827000      -1.07595000      -1.66084000      -0.40230370      -1.38053802      -0.09886912
Zn      -1.08015000       0.16342000      -4.21716000       0.22374227      -0.17784635      -0.78782524
Zn      -2.86556000      -4.09208000      -2.09916000       1.79847729       1.72156836       0.91686943
Zn      -3.16349000      -2.28723000      -5.05245000       0.30685343       0.11155959       1.20795874
Zn      -3.66617000       0.83652000      -3.39117000      -0.47309419      -0.71188914      -1.31200591
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.29345149 magmom=-0.0003104 free_energy=-70.29345149 stress="-0.0012677829794980864 -0.010463924072009526 0.005569376318538777 -0.010463924072009526 0.01229353995327005 -0.005589427871896208 0.005569376318538777 -0.005589427871896208 0.005324197494369031" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.47067000       2.15599000      -6.37725000      -0.12209367      -0.51910869       1.14599443
O       -0.50315000       0.07871000      -2.16713000       0.50766933       0.14726424      -0.88596251
O        0.02835000      -0.13298000      -5.71259000       0.70265508      -0.21807676      -0.16448793
O       -2.62017000      -1.02854000      -3.67128000      -0.44866167       0.36203022      -0.46983801
O       -0.80218000       3.27500000      -6.24896000      -0.32658623      -0.65558305      -0.97332477
O       -1.85205000       1.77424000      -3.80792000      -1.08672858       1.53249393      -1.33653564
O       -3.65179000       1.18576000      -7.40019000      -0.32492094       0.25146954       0.44870606
O       -4.91940000       1.39288000      -4.90325000       1.38213864       0.05579719      -0.02274070
O       -4.65619000      -2.44502000      -6.19918000      -0.35937053      -0.25386703       0.02817348
Zn      -2.05370000      -1.08526000      -1.73741000      -0.54131830       0.78971999      -0.31720065
Zn      -1.10032000       0.11016000      -4.31549000      -0.21605608      -0.59362463       0.83532897
Zn      -2.88397000      -3.95963000      -2.05168000       1.14797971       0.30459379       0.92606412
Zn      -3.13741000      -2.38840000      -4.95491000       0.19360464      -0.33853604       1.02522048
Zn      -3.65029000       0.85984000      -3.43596000      -0.50831140      -0.86457270      -0.23939732
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.22651661 magmom=-0.0003606 free_energy=-70.22651661 stress="0.0020339189997497687 -0.013880105015448245 0.003723824466381828 -0.013880105015448245 -0.010718557927418236 0.00388714642889389 0.003723824466381828 0.00388714642889389 -0.001727853311589154" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.48011000       2.17449000      -6.30164000       0.21155392      -0.93230748      -0.97448327
O       -0.43093000       0.18086000      -2.25335000      -0.08334426      -0.33591507      -0.30511246
O       -0.06375000       0.04284000      -5.81206000       1.43195200      -0.43518311       1.75350901
O       -2.69261000      -0.98277000      -3.77012000       0.14493107       0.51320058       0.15593409
O       -0.77207000       3.27460000      -6.26050000      -0.15985665       0.16385569      -0.77410557
O       -1.91497000       1.80981000      -3.82197000      -0.44064866       0.10905002       0.08197353
O       -3.74066000       1.11986000      -7.31527000      -0.21391707       0.65984496       0.57340566
O       -4.89030000       1.34243000      -4.88137000       0.26723355       0.39176327       0.22448746
O       -4.60759000      -2.46816000      -6.21927000       0.01269369      -0.18277151       0.59910412
Zn      -2.04358000      -1.04256000      -1.84379000       0.02190485       3.12322302      -1.01004689
Zn      -1.13343000       0.02723000      -4.37805000      -0.67612055       0.53349492       1.68123590
Zn      -2.84792000      -3.83099000      -1.97979000      -0.53616877      -3.01186855      -1.66078607
Zn      -3.09787000      -2.52009000      -4.79813000       0.16466965      -0.06052300      -1.13620240
Zn      -3.66204000       0.83472000      -3.50116000      -0.14488277      -0.53586373       0.79108689
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.82693127 magmom=-0.000248 free_energy=-69.82693127 stress="-0.020600726300399653 0.0047785609655052585 0.007324313204708073 0.0047785609655052585 -0.00746751388996426 0.01708777309853004 0.007324313204708073 0.01708777309853004 0.0003211614583060579" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.49772000       2.16661000      -6.26111000      -0.17406352       0.47548494      -0.10580252
O       -0.36794000       0.21652000      -2.40382000      -0.00514258      -0.19998237       0.64021613
O        0.15849000       0.16371000      -5.62693000      -0.46734888      -0.80724628      -1.52745925
O       -2.76041000      -0.88793000      -3.86083000      -0.16166002      -1.78186523      -0.19566221
O       -0.79493000       3.30764000      -6.42835000      -0.89143088       0.48317535       1.17745029
O       -2.07739000       1.82288000      -3.80350000       0.91581100      -0.90415509       0.54559739
O       -3.80195000       1.09204000      -7.20151000       0.88238479      -0.56276810      -0.63547201
O       -4.80628000       1.37117000      -4.80589000      -1.43124615       0.90937890      -0.96452138
O       -4.56145000      -2.53165000      -6.11400000      -0.31202167      -0.25966184       0.18434083
Zn      -2.03722000      -0.86252000      -1.98764000      -0.11232222      -1.07441881       1.56086835
Zn      -1.19378000      -0.03138000      -4.36175000       1.38849447       1.34481705      -0.53224971
Zn      -2.82699000      -3.83945000      -1.97856000       0.90907659       0.30550251       0.70671394
Zn      -3.04957000      -2.62929000      -4.70448000       0.27361275       2.13640597      -2.37895691
Zn      -3.68800000       0.77975000      -3.52249000      -0.81414366      -0.06466700       1.52493705
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.75864873 magmom=-0.0003488 free_energy=-69.75864873 stress="0.002431794715650366 -0.005352600105797275 -0.001761593237199233 -0.005352600105797275 0.013761043042177939 0.005191249935882225 -0.001761593237199233 0.005191249935882225 0.00957060148109234" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50638000       2.15971000      -6.26985000       0.97808630      -1.40753452      -0.51616087
O       -0.33292000       0.21001000      -2.43732000      -0.28764202       0.07442087       0.13005764
O        0.28909000       0.09134000      -5.74689000      -1.49664132       0.30703168      -0.24159214
O       -2.82672000      -1.04708000      -3.94326000       0.74879230       2.04725928       1.46698878
O       -2.03263000      -2.58583000      -6.44015000       1.08299855      -0.51824623      -0.19341588
O       -2.04292000       1.68413000      -3.71846000       0.23798273       0.80836878      -0.98692140
O       -3.71735000       1.01804000      -7.15652000      -0.25708052       0.95895863       0.76208317
O       -4.99381000       1.53049000      -4.80934000      -0.01781269      -0.61310540       0.67734435
O       -4.56856000      -2.60817000      -5.95644000      -0.53033511       0.37008930      -0.52845368
Zn      -2.04217000      -0.72392000      -2.05200000      -0.69674908      -1.70526600       1.84613137
Zn      -1.18997000      -0.01726000      -4.36175000       1.49350063       0.88023559      -1.35061091
Zn      -2.76167000      -3.84493000      -1.94596000       0.28012903       0.00984336       0.17913694
Zn      -2.99185000      -2.64830000      -4.74230000      -0.40907244      -1.57602643      -1.02662821
Zn      -3.76633000       0.71921000      -3.47234000      -1.12615637       0.36397108      -0.21795916
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.87366733 magmom=-0.0003169 free_energy=-69.87366733 stress="0.02128173746723043 -0.004664508346319767 -0.0022951524583874395 -0.004664508346319767 0.009366466802209875 0.003935890193461498 -0.0022951524583874395 0.003935890193461498 0.012812648264552683" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50080000       2.08854000      -6.26213000      -0.94078431       0.51206575       1.69050791
O       -0.32439000       0.19624000      -2.42307000       0.56343069      -0.39336531      -0.00456568
O        0.13421000       0.14642000      -5.91099000       0.21731610       1.37779927       1.11357804
O       -2.76378000      -0.94213000      -3.79091000       0.06189604      -0.40022491      -1.20022415
O       -1.98973000      -2.54684000      -6.43014000       0.73979476       0.24023059      -0.81634106
O       -1.92154000       1.70906000      -3.80798000      -0.65686153       0.13656795       0.65923987
O       -3.56719000       1.00945000      -7.04232000      -0.19044428       0.21560994       0.26052326
O       -5.22146000       1.61630000      -4.76273000       1.46867088      -0.97029861      -0.29796253
O       -4.67827000      -2.59840000      -5.88281000      -0.09480638      -0.00017030      -0.61661370
Zn      -2.08572000      -0.66883000      -2.01053000       0.01099943      -1.69702932       1.39069834
Zn      -1.09181000       0.05892000      -4.44153000      -0.01226374       0.47992812      -0.12020949
Zn      -2.67497000      -3.87082000      -1.91459000      -0.67062902      -1.56607130      -1.96822760
Zn      -2.95140000      -2.72101000      -4.83629000      -0.54034213       1.28472611       0.67342138
Zn      -3.92650000       0.67043000      -3.41607000       0.04402349       0.78023204      -0.76382458
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.34313942 magmom=-8.98e-05 free_energy=-69.34313942 stress="0.016054633974846227 -0.0048404742207058425 0.010251627140707308 -0.0048404742207058425 -0.004598201043728525 0.028114604548098023 0.010251627140707308 0.028114604548098023 -0.009742143492398663" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.53343000       2.03751000      -6.16169000       1.01866499       1.15678569       0.00773881
O       -0.24379000       0.10358000      -2.42628000      -0.52283064      -0.40670809      -0.20093911
O        0.02619000       0.34486000      -5.91364000       1.38416952      -3.55091069      -0.82194035
O       -2.66525000      -0.84025000      -3.82743000      -0.18119166      -0.54510395      -0.84137622
O       -1.84051000      -2.47469000      -6.55792000      -2.22443106      -0.42370704       1.27242321
O       -1.91247000       1.77601000      -3.79980000       0.12154860       0.10552147      -0.05646655
O       -3.45548000       1.04489000      -6.86983000      -0.38118887       0.04098731       0.01972644
O       -5.19025000       1.47893000      -4.70472000       0.00762238      -0.38186973       0.26018538
O       -4.78791000      -2.54831000      -5.91646000       0.39669206      -0.24144100       0.21644755
Zn      -2.13394000      -0.69522000      -1.90403000       0.32270504       0.70215718      -1.64728902
Zn      -0.99943000       0.16480000      -4.51922000      -2.57300520      -0.12318527       2.70032441
Zn      -2.60617000      -3.95087000      -1.97611000       0.94982524       1.76263658      -0.70938928
Zn      -2.93864000      -2.73751000      -4.91276000      -0.05805156       2.13616677      -0.08878327
Zn      -4.09056000       0.65592000      -3.39528000       1.73947116      -0.23132922      -0.11066200
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.57300581 magmom=0.0002492 free_energy=-69.57300581 stress="0.029546307969693725 -0.012805604215941884 -0.003524821656166811 -0.012805604215941884 0.01449031136680034 0.0012216321625156997 -0.003524821656166811 0.0012216321625156997 -0.00621054636600025" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52681000       2.05827000      -6.05607000       0.77982967      -0.68952111      -1.76268076
O       -0.25935000      -0.07124000      -2.44405000      -0.08086858      -0.06161639       0.70358785
O        0.17217000       0.00290000      -6.00253000       0.28093599       2.98616568       2.29882291
O       -2.62936000      -0.86578000      -4.03514000      -0.45405232       0.14124774       1.11164831
O       -2.04234000      -2.47491000      -6.51718000       1.42316327      -0.80078008      -2.27708258
O       -1.89238000       1.84746000      -3.80476000      -0.03132390      -0.18385914      -0.69907146
O       -3.39773000       1.06438000      -6.72280000      -0.75757419       0.70515613       0.19538287
O       -5.16071000       1.30235000      -4.67706000      -0.93117646       0.88019296      -0.64647008
O       -4.80689000      -2.51862000      -5.89774000      -0.24419963       0.10603224       0.56197162
Zn      -2.16375000      -0.71942000      -1.86917000      -0.11569333      -1.26004035      -1.12529962
Zn      -1.02826000       0.26069000      -4.47826000      -0.27085601      -0.64945769      -0.30242741
Zn      -2.51266000      -3.96292000      -2.08001000      -1.01300364      -1.57724479      -1.33743197
Zn      -2.93943000      -2.63844000      -4.97190000      -1.06004846       1.33045461       2.21357193
Zn      -1.90455000       3.20042000      -8.20782000       2.47486758      -0.92672982       1.06547839
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.84475681 magmom=-0.0001624 free_energy=-69.84475681 stress="0.024739637456579724 0.00605028561405407 -0.004517395358313295 0.00605028561405407 0.016390018116035163 -0.0036972191724044916 -0.004517395358313295 -0.0036972191724044916 0.0043328739602589515" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.50742000       2.07057000      -6.03737000      -1.08674763       0.23037770       0.91815307
O       -0.30579000      -0.23747000      -2.35135000      -0.00602057       0.94710419      -0.53180404
O        0.33548000       0.01730000      -5.77857000      -1.50271544      -0.27168076      -0.85543493
O       -2.68338000      -0.85630000      -4.01440000       0.12890374       0.49141557       0.83640568
O       -0.96286000       3.38187000      -6.65142000       1.15658534       0.77784692       2.95386995
O       -1.87052000       1.90529000      -3.94288000      -0.07595443       0.48826489       0.11736208
O       -3.37871000       1.11219000      -6.62571000       0.85689117      -0.52745157      -0.73442834
O       -5.26739000       1.29043000      -4.72229000       1.23186544       0.27689190       0.70504819
O       -4.85422000      -2.46276000      -5.75816000      -0.48322127      -0.45275317      -0.04572023
Zn      -2.19366000      -0.80368000      -1.90067000       0.39248297      -2.14919727      -0.05783121
Zn      -1.08107000       0.31046000      -4.44002000       0.66912078      -1.57384506      -0.98280811
Zn      -2.45755000      -4.00314000      -2.21835000      -0.05588572       1.21795843       1.40861738
Zn      -2.98337000      -2.46667000      -4.94497000      -0.14948796       0.60034474      -0.56743863
Zn      -1.83990000       3.12862000      -8.16333000      -1.07581640      -0.05527652      -3.16399088
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.26314571 magmom=7.73e-05 free_energy=-70.26314571 stress="0.03430694175437066 0.001333845440169339 0.004682629238625325 0.001333845440169339 0.01768224799451524 0.009948355102099366 0.004682629238625325 0.009948355102099366 0.018541562387277097" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52769000       2.06578000      -6.00333000       0.84112979      -0.50293654      -0.63281168
O       -0.32684000      -0.20172000      -2.33499000       0.50384273       0.47319166       0.03763587
O        0.22927000       0.04005000      -5.70027000      -0.07832238      -1.30646579      -1.56316069
O       -2.71259000      -0.77211000      -3.83331000       0.52524852      -0.60816302      -0.59000858
O       -0.76061000       3.37455000      -6.45273000      -0.57606521       0.47053930      -0.26697649
O       -1.85216000       2.01740000      -4.03930000       0.21207865      -0.40937219       0.71853691
O       -3.29014000       1.14228000      -6.63807000      -1.17134511       1.05443749       0.28964280
O       -5.16495000       1.33966000      -4.62408000      -0.13935970      -0.02881064       0.07111713
O       -4.98035000      -2.46466000      -5.62297000       0.11752922       0.00634710      -0.33582589
Zn      -2.20440000      -0.98693000      -1.93427000       0.15360884      -0.00564708       0.70540194
Zn      -1.10484000       0.28309000      -4.45004000      -0.35411548      -0.08984989       0.14357498
Zn      -2.42273000      -3.99389000      -2.28538000      -0.65527751       0.52862621       1.42816424
Zn      -3.03591000      -2.27582000      -4.93647000       0.27154146      -0.50261863      -0.98451206
Zn      -4.04139000       0.49014000      -3.39823000       0.34950618       0.92072202       0.97922153
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.65016837 magmom=0.0001575 free_energy=-69.65016837 stress="0.022388269161042546 -0.004205035988252014 -0.002265796275436452 -0.004205035988252014 0.002367171734228816 -0.0036894118371596702 -0.002265796275436452 -0.0036894118371596702 -0.0040490621294678175" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.53832000       2.06419000      -5.98370000      -0.17358011       1.75075640       0.42063234
O       -0.26266000      -0.07294000      -2.33062000      -0.42922157      -0.41204515      -0.04688495
O        0.08235000      -0.17588000      -5.87850000       0.43309683       1.47789098       2.39099220
O       -2.64405000      -0.79200000      -3.76458000      -0.03229148      -0.15003208      -0.28242424
O       -1.74315000      -2.54747000      -6.35658000      -0.65518016      -0.92442770      -1.41969694
O       -1.79692000       2.04466000      -4.00343000       0.00442625      -0.50522539      -0.43651699
O       -3.31044000       1.27487000      -6.66862000       0.44260321      -0.39762460      -0.41263209
O       -5.09607000       1.38520000      -4.53050000      -0.96066455      -0.17315809      -0.63076935
O       -5.04992000      -2.45395000      -5.56680000       0.63912796       0.19799352      -0.25013266
Zn      -2.20159000      -1.14981000      -1.93052000       0.24707185       1.99119174       0.65214001
Zn      -1.13218000       0.24893000      -4.45990000       0.45534531       0.61410286      -0.08369847
Zn      -2.42689000      -3.96415000      -2.27480000      -1.10370098      -2.11024226      -0.90309048
Zn      -3.07231000      -2.13970000      -4.98201000       0.18219814      -2.11574075      -0.87268456
Zn      -3.99272000       0.47507000      -3.42596000       0.95076930       0.75656052       1.87476617
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.08131165 magmom=-0.0002572 free_energy=-70.08131165 stress="0.025104654123536192 -0.004876397588487393 0.006423707072233419 -0.004876397588487393 0.022438094260824708 -0.012137634133176837 0.006423707072233419 -0.012137634133176837 0.011738962768417398" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.54376000       2.17090000      -5.95302000       0.59532076      -0.14706238      -0.35153134
O       -0.27286000      -0.00958000      -2.30847000      -0.20594135      -0.15093917       0.52712927
O        0.04444000      -0.20404000      -5.67956000       1.61688808      -0.73753820      -2.25200697
O       -2.56873000      -0.88412000      -3.77074000      -0.54079859      -0.25809888      -0.09982338
O       -0.76863000       3.34720000      -6.45204000      -0.36444994      -0.18199330      -0.01198918
O       -1.73704000       1.96651000      -4.04146000      -0.60665673       1.00921987      -0.16525370
O       -3.31730000       1.39052000      -6.75695000      -0.92698503       0.28749992       0.74440070
O       -5.20943000       1.38050000      -4.56520000       1.30241842      -0.17856730      -0.41852288
O       -4.96804000      -2.36120000      -5.55759000      -0.38151662      -0.06638126      -0.12990829
Zn      -2.18366000      -1.21894000      -1.88360000       0.21708926       1.19040867       0.21896483
Zn      -1.14620000       0.24638000      -4.46660000      -0.66624376       0.30669185       1.25015450
Zn      -2.49920000      -4.03316000      -2.28644000      -0.24488995      -0.09344102       1.06205668
Zn      -3.09995000      -2.11324000      -5.09407000       0.78453698      -1.88534209      -0.11554194
Zn      -3.88237000       0.51519000      -3.34150000      -0.57877153       0.90554329      -0.25812831
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.74278632 magmom=-0.000187 free_energy=-69.74278632 stress="0.014573633460174382 -0.0030254999274546904 -0.0012594726285497925 -0.0030254999274546904 0.02842761287907067 -0.007845063263826649 -0.0012594726285497925 -0.007845063263826649 0.004489764859012977" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.53925000       2.32995000      -5.92019000      -0.18990041      -0.98300376      -0.99131464
O       -0.37855000       0.04296000      -2.17974000      -0.45706843       0.35454107      -0.03698615
O        0.28036000      -0.26232000      -5.67346000      -1.37112134      -0.31880900      -0.64097897
O       -2.57888000      -1.04422000      -3.81005000       0.02792453       1.00149464       0.07808679
O       -0.88227000       3.14722000      -6.49966000       1.68828110       0.36670745       1.46200944
O       -1.78933000       2.03863000      -4.12856000      -0.46753805      -0.50974340       1.04854016
O       -3.42716000       1.53507000      -6.79133000       0.07796829       0.01755210       0.02844667
O       -5.08996000       1.32161000      -4.68629000       1.04217473      -0.00556419       1.17615298
O       -4.93474000      -2.21276000      -5.57248000      -1.00534267       0.22579366       0.04492974
Zn      -2.14357000      -1.23277000      -1.80650000       0.26423308       0.26605815      -0.55877482
Zn      -1.17921000       0.25495000      -4.42747000       0.75922767      -0.77735565      -0.45959408
Zn      -2.61739000      -4.15962000      -2.27074000       0.69768720       0.96885598       0.87476364
Zn      -3.08856000      -2.19860000      -5.25186000       0.61808174      -0.50842190       1.78122306
Zn      -3.78550000       0.62036000      -3.29046000      -1.68460745      -0.09810516      -3.80650381
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.40705407 magmom=-0.0002068 free_energy=-69.40705407 stress="-0.0005426607395917882 -0.001854227169109869 8.515003791022738e-06 -0.001854227169109869 0.02401867121290602 -0.0006964830752821831 8.515003791022738e-06 -0.0006964830752821831 0.013405123224976223" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.56346000       2.41824000      -5.93256000      -0.06991948      -0.22324496       0.08083611
O       -0.50747000       0.12500000      -2.05346000       1.19401586      -0.73120497      -0.21355365
O        0.28955000      -0.37208000      -5.83922000      -1.38238323       1.02873836       0.96773881
O       -2.59900000      -1.01121000      -3.83691000      -0.12089542       0.49763601      -0.11583794
O       -0.66565000       3.04812000      -6.31994000      -1.38397516       0.61316270      -1.29276126
O       -1.94212000       2.01765000      -4.01432000      -0.29740302      -0.92259958      -0.01811878
O       -3.47718000       1.65426000      -6.84300000       0.40391078       0.31751308      -0.62220267
O       -4.81569000       1.31737000      -4.65778000      -1.98618305       1.50242886      -1.33187445
O       -5.06419000      -2.06178000      -5.58154000       0.35465517      -0.87666012      -0.13460553
Zn      -2.09561000      -1.23256000      -1.76430000       0.15573118      -0.68069728      -0.74955029
Zn      -1.18265000       0.22957000      -4.40558000       0.84040535      -0.46859265      -0.92870614
Zn      -2.69150000      -4.22217000      -2.21129000       0.77402361       1.55100408       0.57686995
Zn      -3.06292000      -2.29811000      -5.29995000      -0.56400356       0.03643147       2.26826118
Zn      -3.76691000       0.70042000      -3.40390000       2.08202097      -1.64391500       1.51350466
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.21298239 magmom=-0.0001886 free_energy=-70.21298239 stress="-0.01531358724217879 -0.010894351792054311 0.00138335933830648 -0.010894351792054311 -0.0005220511204203936 0.0014938848806849347 0.00138335933830648 0.0014938848806849347 0.003367596474667021" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.56168000       2.47154000      -5.97330000       1.86242623      -0.83113925      -1.15325552
O       -0.48731000       0.08045000      -2.04518000      -0.81571784       0.13250069      -1.19393018
O        0.01483000      -0.27820000      -5.77439000       0.67049756      -0.28933487       0.07798314
O       -2.63759000      -0.90860000      -3.88133000       0.15138746      -1.66470169      -0.19102757
O       -0.73624000       3.06414000      -6.43323000      -1.23718261       0.09914778       0.62181050
O       -2.11895000       1.82765000      -3.91999000       0.95653564       1.05550176      -0.76312381
O       -3.43668000       1.81375000      -6.99528000      -0.59032755       0.36780248       0.82783214
O       -4.90494000       1.48884000      -4.68752000      -0.23364544      -0.45653333       0.78569739
O       -5.09105000      -2.04144000      -5.58726000       0.58020133       0.26017451       0.19196642
Zn      -2.04950000      -1.25190000      -1.77480000      -0.17912837       1.22293797      -1.35300684
Zn      -1.14149000       0.18384000      -4.43460000      -0.45592127       0.18864562       0.48002390
Zn      -2.70626000      -4.19517000      -2.13177000       0.54537564       0.55005086       0.17578193
Zn      -3.07340000      -2.37580000      -5.21430000      -0.21243739      -0.08643603       1.63827224
Zn      -3.67958000       0.69322000      -3.45360000      -1.04206338      -0.54861650      -0.14502377
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.17599902 magmom=-0.0001813 free_energy=-70.17599902 stress="0.008031503301786291 -0.004279409324158327 0.011588030251452287 -0.004279409324158327 0.008165893479001889 -0.016230694283265377 0.011588030251452287 -0.016230694283265377 0.00935917288726424" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.51008000       2.49467000      -6.04304000      -2.18677595       0.53528152       0.85210563
O       -0.53300000       0.05820000      -2.24525000       1.01721737       0.60086911       0.36937769
O       -0.03907000      -0.22263000      -5.78922000       1.18944965       0.45637884       0.13146402
O       -2.64046000      -1.07334000      -3.92642000       0.64429933       1.12174583       1.34998885
O       -1.03301000       3.11313000      -6.46216000       1.81426958      -0.11514405      -0.36609140
O       -2.10100000       1.82857000      -3.96794000       0.61700795       0.01899197       0.57727052
O       -3.40623000       1.96218000      -7.07690000       0.24804373      -0.95044322       0.10676672
O       -5.03475000       1.61333000      -4.65198000       1.45827525      -0.08460245      -1.04863330
O       -5.01141000      -2.02609000      -5.57590000      -0.65991006      -0.74536712      -0.49398381
Zn      -2.01658000      -1.21820000      -1.85490000      -0.62897583       1.27150076      -0.93029683
Zn      -1.14285000       0.15471000      -4.41378000      -0.63976331       0.22306571       1.07522050
Zn      -2.69527000      -4.14313000      -2.05194000      -0.86528381      -1.58711670      -1.22917404
Zn      -3.09956000      -2.45557000      -5.04053000      -0.43095108      -0.65387550       0.26731843
Zn      -3.63888000       0.64740000      -3.50152000      -1.57690283      -0.09128471      -0.66133297
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.37682695 magmom=-0.0003244 free_energy=-70.37682695 stress="0.010125446220716693 -0.004609790315322519 -0.015860078658064512 -0.004609790315322519 -0.005189897613065957 0.008734931803593573 -0.015860078658064512 0.008734931803593573 0.0030725795371685906" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.56230000       2.52651000      -6.11200000       1.88278923      -0.56934994      -0.48907082
O       -0.40702000       0.16043000      -2.36796000      -0.68096814       0.22275067       0.19139211
O        0.19758000      -0.13865000      -5.84058000      -1.10329408      -0.20374858       1.02252986
O       -2.53466000      -1.08261000      -3.76783000      -0.90132266      -0.00163930      -1.71966138
O       -0.97750000       3.15950000      -6.50729000       0.50574268       0.36744006       0.74759018
O       -1.94581000       1.83911000      -3.90124000      -0.55024354      -0.49344990       0.35616333
O       -3.37859000       1.92956000      -7.07276000      -0.58755148      -0.31523959       0.58010985
O       -4.89535000       1.64278000      -4.73072000       0.09865671      -0.93459017       0.12626138
O       -5.01579000      -2.06272000      -5.62387000       0.16154873       0.70626199       0.07342711
Zn      -2.01814000      -1.11763000      -1.97621000      -0.37980673      -0.09021384       1.71370773
Zn      -1.17974000       0.14468000      -4.33334000       2.29068027      -0.07305569      -1.94103762
Zn      -2.72513000      -4.16199000      -2.02752000      -0.17913998       0.45323992       0.49116430
Zn      -3.14339000      -2.55121000      -4.86413000       0.36645009       0.55694383      -1.32029228
Zn      -3.69119000       0.59856000      -3.57815000      -0.92354109       0.37465056       0.16771627
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.23779914 magmom=-0.0003202 free_energy=-70.23779914 stress="0.002925036490458818 0.001644798816677378 0.0015840504392909938 0.001644798816677378 0.011486603094239834 0.009611444368917857 0.0015840504392909938 0.009611444368917857 0.0071678070949916595" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.52676000       2.53959000      -6.17160000       1.17564036      -0.23398505       0.41790792
O       -0.38310000       0.29464000      -2.41861000       0.36618767      -0.76718168       0.90260656
O        0.21266000      -0.05236000      -5.68102000      -0.47420863      -0.26878818      -1.48023873
O       -2.59521000      -1.03727000      -3.88913000      -0.32476463       0.32091012       0.07140017
O       -0.84833000       3.23098000      -6.41126000      -1.51096040      -0.93035781       0.31583900
O       -1.91956000       1.77655000      -3.79428000      -1.00326542       0.25464528      -0.81112352
O       -3.37833000       1.77968000      -7.02913000       0.11092845       0.45635455      -0.41472665
O       -4.76850000       1.52851000      -4.84594000      -1.19741833       0.55954601      -0.48668129
O       -5.00259000      -2.00772000      -5.67482000       0.21326570      -0.80127595      -0.20653370
Zn      -2.04357000      -1.02622000      -2.00669000      -0.49192322      -0.90647437       1.47258638
Zn      -1.09867000       0.13068000      -4.35568000       0.93189773       0.14789679      -1.00931746
Zn      -2.75931000      -4.15889000      -1.98314000       1.09955957       2.08099063       1.36149940
Zn      -3.16964000      -2.62273000      -4.76887000       0.41755218       0.35010415      -1.53435159
Zn      -3.78174000       0.56313000      -3.63423000       0.68750895      -0.26238450       1.40113351
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.23990822 magmom=-0.0002859 free_energy=-70.23990822 stress="0.021610809326821506 0.005862348406575875 0.0006943551014023135 0.005862348406575875 0.009882273973074318 -0.002551604958483738 0.0006943551014023135 -0.002551604958483738 0.02196521390533575" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.40293000       2.52435000      -6.21943000      -1.14823806      -1.80464274       0.70316009
O       -0.35669000       0.29466000      -2.32279000      -0.22838825      -0.21006392      -0.46209771
O        0.15410000      -0.02982000      -5.84748000       0.91769868       0.37301674      -0.14836309
O       -2.73930000      -0.93075000      -4.08009000       1.54297064      -0.55596399       1.01373947
O       -0.95514000       3.15683000      -6.25432000       1.06068850       0.27578443      -1.06570881
O       -2.11063000       1.71450000      -3.79320000       0.09844462      -0.48003871       0.69973924
O       -3.31342000       1.69519000      -7.10302000       0.23149263       0.68598237      -0.49350306
O       -4.89049000       1.44227000      -4.99225000       0.27956520       0.91947126      -0.05302738
O       -4.90781000      -2.03135000      -5.74045000       0.19481174      -0.36527920       0.05103089
Zn      -2.09976000      -0.97142000      -1.94433000      -0.42867474       0.50857627      -0.42315518
Zn      -0.96344000       0.12888000      -4.42588000      -1.65781455       0.75425731       1.45614074
Zn      -2.75172000      -4.05629000      -1.86734000      -1.07098865      -1.67479803      -1.35104252
Zn      -3.17438000      -2.67209000      -4.75633000       0.29792591       0.80120196      -0.54576765
Zn      -3.85532000       0.51828000      -3.62141000      -0.08949367       0.77249625       0.61885498
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.79773205 magmom=-0.0002187 free_energy=-69.79773205 stress="0.04177325674405447 0.009971196466481357 -0.018251035385474026 0.009971196466481357 0.0021183633788797326 0.004545851727859641 -0.018251035385474026 0.004545851727859641 0.03695292504670157" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34451000       2.41909000      -6.26228000      -0.61570429      -0.15744291      -1.01449420
O       -0.33568000       0.23144000      -2.29085000       0.46739550       0.29443939      -0.80898363
O        0.30271000       0.04226000      -6.06073000      -0.33045757      -1.05477321       2.13591797
O       -2.58397000      -0.91743000      -4.05858000       0.30597021      -0.88547370       0.45715262
O       -0.90848000       3.14346000      -6.27207000      -0.24220297       1.55664339       0.42381206
O       -2.28564000       1.61449000      -3.69470000       1.17128262       1.63182974      -0.65749440
O       -3.18904000       1.75353000      -7.30191000      -0.82747801       0.52161789       0.55433504
O       -4.97262000       1.45001000      -5.04898000       1.14036490      -0.27306232       0.57601573
O       -4.76869000      -2.14525000      -5.79707000      -0.74624360      -0.49083778      -0.03751869
Zn      -2.18212000      -0.88864000      -1.90060000       0.56618000      -0.16109061      -1.43738668
Zn      -0.90454000       0.16722000      -4.43006000      -0.79018842       0.37693911       0.35669381
Zn      -2.79887000      -4.02933000      -1.80781000      -0.87532879      -1.32187470      -1.32136356
Zn      -3.16108000      -2.68626000      -4.77762000       0.73570319       0.21376433       0.66804686
Zn      -3.93694000       0.50210000      -3.56940000       0.04070721      -0.25067863       0.10526707
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.74155787 magmom=8.3e-06 free_energy=-69.74155787 stress="0.02311375674768553 -0.004188833860681935 -0.007118762221299291 -0.004188833860681935 0.0154289108323506 0.006492647530211671 -0.007118762221299291 0.006492647530211671 0.020149102596367135" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34750000       2.29386000      -6.36658000      -0.05383535       0.52596155       1.23328521
O       -0.23933000       0.21106000      -2.43402000      -0.34377760       0.06046735       0.13217489
O        0.38296000       0.00275000      -5.83425000      -1.47186405       0.18360362      -0.35384523
O       -2.30947000      -1.09752000      -3.90606000      -0.85020821       0.78079830       0.44084853
O       -1.96586000      -2.63754000      -6.31593000      -1.44019599      -1.92865828      -0.16404897
O       -2.24005000       1.79108000      -3.71029000       0.34351318      -1.37399427       0.12561820
O       -3.15778000       1.87652000      -7.46728000      -0.11599564      -0.98240932       0.02969178
O       -4.82718000       1.39456000      -4.97544000       0.47540517       0.25646538      -1.71530426
O       -4.74701000      -2.33221000      -5.84336000      -0.76696852       0.36581029       0.09976809
Zn      -2.24381000      -0.81337000      -1.92674000       0.75844458      -1.88586700      -0.07176116
Zn      -0.89024000       0.23365000      -4.40784000      -0.58493860       0.12052303       0.32404049
Zn      -2.89071000      -4.07039000      -1.82562000       2.33374841       2.66731616      -0.53186659
Zn      -3.10735000      -2.67949000      -4.76678000       0.45321926       1.15045906       0.36582676
Zn      -4.02077000       0.48367000      -3.50236000       1.26345334       0.05952413       0.08557226
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.8123661 magmom=-0.0002155 free_energy=-69.8123661 stress="0.01590823098346886 -0.002415286129982206 0.004749465215764057 -0.002415286129982206 0.01741360075899068 0.0007909833058025859 0.004749465215764057 0.0007909833058025859 -0.017892931283497105" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34459000       2.22180000      -6.44404000       0.74940938       1.65236875      -1.08281139
O       -0.20846000       0.20671000      -2.53685000      -0.19111221      -0.33169798       1.49863130
O        0.20240000      -0.04252000      -5.70029000       0.33962002       0.33622511      -1.99624636
O       -2.21835000      -1.15223000      -3.72246000      -1.08536716      -0.01982628      -2.15787711
O       -2.15144000      -2.67652000      -6.37624000       1.12897368      -0.27024370      -1.05379715
O       -2.11599000       1.73607000      -3.71674000      -0.42544503      -0.04607042       0.00828304
O       -3.17423000       1.80322000      -7.60186000      -0.43210410      -0.55072326       0.53960587
O       -4.61522000       1.28192000      -5.13096000      -0.41954237      -1.55338554       0.52267418
O       -4.85882000      -2.40924000      -5.84358000       0.33422799       0.60440777       0.24165216
Zn      -2.26233000      -0.83761000      -1.95108000       0.49084620      -1.18830047       2.22851443
Zn      -0.92230000       0.31003000      -4.35672000      -1.33662420       0.06248045       0.86704100
Zn      -2.88879000      -4.00059000      -1.87222000       0.33957000       0.47408274      -0.10476821
Zn      -3.03471000      -2.61313000      -4.72418000      -0.36963121       0.43682774       0.74902706
Zn      -4.03817000       0.46553000      -3.42873000       0.87717901       0.39385509      -0.25992881
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.80294454 magmom=-0.0002406 free_energy=-69.80294454 stress="0.01220338067986368 -0.00021063740140677504 -0.012233365900828906 -0.00021063740140677504 0.0056647568827138395 -0.012809442812710903 -0.012233365900828906 -0.012809442812710903 0.006844229760714282" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29622000       2.22899000      -6.51619000       0.00190152      -1.34801019       3.32373241
O       -0.28510000       0.14152000      -2.38664000      -0.50615051      -0.22450420       0.04665309
O        0.05061000       0.03445000      -5.87030000       0.30655705       0.15243558       1.93839297
O       -2.33036000      -1.11856000      -3.85653000       0.30392158       2.10466396       0.91946877
O       -1.07775000       3.21381000      -6.49466000       0.72016470       0.71386503       2.17451501
O       -2.10735000       1.69702000      -3.69703000      -0.79175976       2.16182029      -0.63126360
O       -3.24590000       1.61888000      -7.65926000       0.17594955       0.95173624      -0.21187446
O       -4.47028000       0.95745000      -5.32677000       0.03107305       1.62767276      -0.87957955
O       -4.90329000      -2.37557000      -5.79356000       0.54950933      -1.18859151      -0.58330939
Zn      -2.24865000      -0.93221000      -1.88600000       0.58355805       0.36101088      -0.61785031
Zn      -1.00389000       0.36989000      -4.27972000       0.68220429      -1.51812976      -0.87218522
Zn      -2.86504000      -3.90730000      -1.93568000      -0.87981856      -1.58240889      -0.61613444
Zn      -2.98743000      -2.53078000      -4.66375000      -1.11509179      -2.15571420      -1.81469030
Zn      -4.00796000       0.46221000      -3.38143000      -0.06201848      -0.05584599      -2.17587497
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.32319367 magmom=-0.0003649 free_energy=-70.32319367 stress="0.01932206430808006 -0.00928020064515474 0.007213287218127905 -0.00928020064515474 -0.007344263720515776 0.023259785186100255 0.007213287218127905 0.023259785186100255 5.628855073104809e-06" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27031000       2.17070000      -6.45501000      -1.02250763       0.18131600      -2.34117897
O       -0.40185000       0.03633000      -2.20380000       0.72872959       0.15798956      -0.21500042
O       -0.01852000       0.04265000      -5.70428000       0.70614339      -0.79666973      -0.60042105
O       -2.46702000      -0.81177000      -3.89175000      -1.26292610      -1.44830895       0.54908216
O       -0.93484000       3.25273000      -6.32624000       0.07863425       0.35028171      -0.25675748
O       -2.24753000       1.97635000      -3.77783000       0.01422875      -2.54798235       1.14242901
O       -3.27841000       1.65477000      -7.73407000      -0.00748564       1.40683710       0.25618533
O       -4.36173000       0.86534000      -5.52109000      -0.22557487      -0.94046945       2.07854346
O       -4.79793000      -2.47953000      -5.80605000       0.30996268       0.21089535       0.29465072
Zn      -2.20376000      -0.98709000      -1.85342000       0.48054015       0.78653863      -0.59318690
Zn      -1.05298000       0.36376000      -4.24075000      -0.09375439       0.66013171       0.81526114
Zn      -2.88148000      -3.89292000      -2.00985000      -0.30173052      -0.53592372       0.80641029
Zn      -2.98694000      -2.52135000      -4.68974000       0.43023256       2.63062954      -1.71655209
Zn      -3.97455000       0.45574000      -3.43074000       0.16550778      -0.11526539      -0.21946520
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.24608707 magmom=-0.0001928 free_energy=-70.24608707 stress="-0.005591955595711062 0.00925728672947067 0.003896318189241175 0.00925728672947067 0.01980913512154028 -0.009643021861276182 0.003896318189241175 -0.009643021861276182 0.004778941947222302" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29977000       2.10898000      -6.46845000       1.12669180      -0.46401626       1.94826304
O       -0.39243000      -0.02186000      -2.11199000      -0.25294104       0.36890243      -0.84459893
O        0.05165000      -0.12027000      -5.60866000      -0.15599112       1.17789138      -0.60939848
O       -2.68691000      -0.82035000      -3.80301000       1.85425723      -2.01580952       0.41213544
O       -1.84831000      -2.68439000      -6.25715000      -0.28202589      -1.27656642      -0.47531917
O       -2.34051000       1.88293000      -3.73144000       0.76547264       0.23156425      -0.73448142
O       -3.30362000       1.93649000      -7.77970000      -0.23155751      -0.44517167      -0.30003466
O       -4.30462000       0.75066000      -5.41191000      -0.26155487       1.78011991      -1.82671143
O       -4.67422000      -2.58702000      -5.79367000      -1.39810221      -0.42357048      -0.13820693
Zn      -2.14403000      -0.98828000      -1.85608000      -0.25972189      -0.67350224       0.87776260
Zn      -1.10341000       0.37674000      -4.17800000      -0.05458025      -0.18486298      -0.44695065
Zn      -2.90999000      -3.90634000      -2.03183000       0.51796769       0.72650711       1.27477003
Zn      -2.98227000      -2.42865000      -4.78585000      -0.31066955      -0.27726295       0.36513356
Zn      -3.95443000       0.46109000      -3.49393000      -1.05724503       1.47577745       0.49763700
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.07730143 magmom=6.93e-05 free_energy=-70.07730143 stress="0.014324466842201473 0.006323401664007105 -0.005869927533522526 0.006323401664007105 -0.011880138889116912 -0.005279537574188525 -0.005869927533522526 -0.005279537574188525 -0.011409671588437151" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29395000       2.06128000      -6.45436000      -0.35702179       3.31256527      -3.19768483
O       -0.37415000      -0.01110000      -2.18901000       0.51777290      -0.09762763      -0.00917775
O        0.10392000      -0.05687000      -5.66601000      -0.94752888      -0.20563815       0.98477208
O       -2.60295000      -1.14821000      -3.59501000      -0.15719878       1.64479221      -0.94022171
O       -0.70514000       3.16642000      -6.15900000      -0.75702535       0.85576849      -0.28476391
O       -2.30827000       1.77682000      -3.77049000      -0.43389067       1.06518243       0.32487699
O       -3.36780000       2.14586000      -7.87385000      -0.09307592      -0.89913453       0.56460055
O       -4.29713000       0.78798000      -5.48960000       0.05229630      -2.39199943       0.85811914
O       -4.77520000      -2.67505000      -5.71482000      -0.19161324       0.85143529       0.87091959
Zn      -2.09224000      -1.02546000      -1.81024000       0.39354738      -0.53461900       1.26053941
Zn      -1.14997000       0.37611000      -4.13411000       1.26115524      -1.50124177      -1.16510947
Zn      -2.91590000      -3.88918000      -1.98472000       0.11266987      -0.08799792       0.41803977
Zn      -2.99361000      -2.34546000      -4.88826000      -0.32653714      -1.52821193      -0.15687811
Zn      -3.97351000       0.52397000      -3.53182000       0.92645008      -0.48327331       0.47196825
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00617219 magmom=-0.0002554 free_energy=-70.00617219 stress="0.008179726254809673 0.005702231471482973 0.016831125932005614 0.005702231471482973 0.04681891019764405 -0.007744055467370854 0.016831125932005614 -0.007744055467370854 0.016776962359230055" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29328000       2.15691000      -6.53417000       0.23689066      -1.42322377       3.03457322
O       -0.31250000       0.00701000      -2.32147000      -1.00412638       0.03518330       0.48285434
O       -0.04323000      -0.03172000      -5.51420000       0.99004980      -1.01397169      -0.92883145
O       -2.48833000      -1.20297000      -3.56476000      -0.38774829       0.98565245      -0.89539601
O       -0.77178000       3.12626000      -6.22544000       0.25203570       0.60472216      -0.88550837
O       -2.31517000       1.87007000      -3.76164000       0.28736683      -0.20074533       0.66206926
O       -3.41495000       2.18767000      -7.92775000       1.11724181       0.23898693       0.03991612
O       -4.28282000       0.60323000      -5.64596000       0.12008325       2.48958027      -1.27550535
O       -4.99464000      -2.64190000      -5.47881000       0.06379015      -0.81485861      -1.38983940
Zn      -2.00826000      -1.09478000      -1.68318000      -0.02865037       0.75777624      -0.49175222
Zn      -1.15106000       0.29517000      -4.14493000      -1.56002366       0.12795080       1.00173812
Zn      -2.91533000      -3.86789000      -1.89959000      -0.49704485      -0.62611865      -0.73452924
Zn      -3.03347000      -2.33352000      -5.00811000      -0.70447644      -0.66222824       1.56437422
Zn      -3.94505000       0.58164000      -3.55423000       1.11461180      -0.49870588      -0.18416325
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.67322827 magmom=-0.0001843 free_energy=-69.67322827 stress="0.013595279532367522 -0.020052628014230977 -0.003241303257444212 -0.020052628014230977 0.0047473295024128715 0.0019449580898540598 -0.003241303257444212 0.0019449580898540598 0.009729703384522137" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29232000       2.21898000      -6.52984000      -0.42668458       2.37877034      -3.21429296
O       -0.38958000       0.01511000      -2.33113000       0.15056330      -0.32545256       0.92115806
O        0.00668000      -0.19093000      -5.49114000       1.10662902       1.55801249       0.24012682
O       -2.49816000      -1.06485000      -3.78303000      -1.66590751      -0.74506337       0.47967462
O       -0.85298000       3.21895000      -6.44088000      -0.33123215      -1.08681450       1.01843751
O       -3.35498000      -4.03061000      -3.72273000       0.31810757      -0.22379887      -1.39310173
O       -3.27496000       2.27880000      -7.90299000      -0.40823306       0.78335060       0.91607053
O       -4.23563000       0.73939000      -6.01397000       0.22316304      -2.97093172       1.97258158
O       -5.19773000      -2.68720000      -5.39612000       1.10589804       0.41723337       0.19862360
Zn      -1.90924000      -1.13409000      -1.55183000      -0.72526713       0.93751056      -1.11885906
Zn      -1.21718000       0.20480000      -4.11551000       0.54797903       1.46879319      -0.30774212
Zn      -0.70166000      -1.30788000      -6.68060000      -0.45970676      -0.90760975      -1.34527557
Zn      -3.11260000      -2.36517000      -5.06366000      -0.17016984      -0.88721962       1.16760878
Zn      -3.84809000       0.61682000      -3.57887000       0.73486103      -0.39678016       0.46498994
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.66428593 magmom=-0.0002324 free_energy=-69.66428593 stress="0.003529844779020758 -0.008566757011562554 0.00046959271545500764 -0.008566757011562554 0.0370187031816661 0.005896922054250463 0.00046959271545500764 0.005896922054250463 0.021847973828579288" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31416000       2.29934000      -6.61282000       0.08493027      -2.69013850       2.77190616
O       -0.48039000      -0.01082000      -2.20015000       0.13416338       0.63113003      -0.92146371
O        0.26155000      -0.15172000      -5.52225000      -1.66389048      -0.92820092       0.55702277
O       -2.76450000      -1.02720000      -3.89390000       0.83133930       0.01770796       0.26116529
O       -0.93871000       3.12450000      -6.45149000       0.90147481       0.16305566       0.94547694
O       -3.25987000      -4.00711000      -3.83743000       0.22563489      -0.94258911       0.36024902
O       -3.19019000       2.53398000      -7.76760000      -0.52913572       0.60023414      -1.03156895
O       -4.15490000       0.67514000      -6.09579000      -0.07370167       2.45580917      -0.15639558
O       -5.16371000      -2.68475000      -5.36782000       0.08291945      -0.48235329      -1.03595030
Zn      -1.85934000      -1.11564000      -1.49195000      -1.23666305       0.98925582      -0.70838279
Zn      -1.27098000       0.18918000      -4.08709000       1.24184881       0.10669605      -1.09392014
Zn      -0.74372000      -1.35716000      -6.68909000       0.33157061       0.18860437      -0.02062583
Zn      -3.19975000      -2.43853000      -5.05271000       0.10759533      -0.37671488       0.21873845
Zn      -3.72370000       0.63031000      -3.59032000      -0.43808592       0.26750350      -0.14625135
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.82977581 magmom=0.0003229 free_energy=-69.82977581 stress="-0.001220518727219715 0.012399886243552906 -0.004442936682252704 0.012399886243552906 0.004684153777161395 -0.009221743126311884 -0.004442936682252704 -0.009221743126311884 0.015711752782555644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.33307000       2.29304000      -6.61382000       0.51299034       1.87987844      -1.47140103
O       -0.50753000       0.07384000      -2.23744000       0.74564620      -0.31474529      -0.01607868
O        0.17372000      -0.21571000      -5.45318000      -0.96343261       0.47702244      -0.86456888
O       -2.88056000      -1.03430000      -3.93839000       1.31637067      -0.19351831       0.29593461
O       -0.84806000       3.04891000      -6.25706000       0.17531265       0.65862937      -0.32122499
O       -2.07347000       1.85286000      -3.82253000      -0.67299200       0.75875525       1.02995780
O       -3.27952000       2.89120000      -7.78931000      -0.71430209      -0.65662466      -0.06191131
O       -4.05191000       0.80084000      -6.09537000       0.25031324      -1.06134926       0.15315793
O       -5.09623000      -2.70507000      -5.43727000      -1.06859097       0.38569360       0.79223313
Zn      -1.88205000      -1.05515000      -1.47162000      -0.92335406      -0.92132368       0.18652781
Zn      -1.24414000       0.18140000      -4.12417000       1.26639310      -1.39998985      -1.16547127
Zn      -0.76673000      -1.40087000      -6.70304000       0.74666407       0.23414018       0.29951987
Zn      -3.27163000      -2.52835000      -5.02154000       1.14850087       0.19566811       0.52948804
Zn      -3.63334000       0.65413000      -3.59846000      -1.81951943      -0.04223632       0.61383696
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.7543033 magmom=-0.000197 free_energy=-69.7543033 stress="-0.000691259144355129 -0.006052032013273527 0.007185847883769095 -0.006052032013273527 0.02102318728329805 -0.016412896966920967 0.007185847883769095 -0.016412896966920967 0.003161806360319099" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31256000       2.37226000      -6.65939000       0.94435826       0.18531529       1.28135574
O       -0.41236000       0.11085000      -2.31928000      -0.76357647      -1.08507678       0.33323958
O       -0.09189000      -0.19716000      -5.59211000       2.23506434       1.24728807      -1.16341959
O       -2.71086000      -1.06202000      -3.89819000      -0.24055564       0.19071805       0.63753851
O       -0.71140000       3.10566000      -6.07956000      -1.18994676      -0.14515960      -0.08381142
O       -2.06853000       1.80615000      -3.66216000      -0.38519087       0.39799889      -0.98357859
O       -3.48746000       3.17445000      -7.89377000       1.20404594      -0.89183824       0.05291441
O       -3.90886000       0.82305000      -6.09824000      -0.29154193       1.65191586      -0.99849243
O       -5.22408000      -2.65217000      -5.37408000       0.23586139      -0.30000130      -0.34452667
Zn      -1.96491000      -1.03513000      -1.44757000      -0.07511668      -0.64580692      -0.75396723
Zn      -1.15738000       0.10589000      -4.21929000      -1.17750233      -0.04235638       1.39977899
Zn      -0.75029000      -1.43514000      -6.70638000       0.42762782      -0.04702613      -0.22721677
Zn      -3.29223000      -2.61810000      -4.95665000       0.66729251       0.54372273       0.76086993
Zn      -3.63670000       0.67372000      -3.58039000      -1.59081959      -1.05969354       0.08931553
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.92771983 magmom=-0.0004059 free_energy=-69.92771983 stress="0.026048271712491588 -0.01610876630886861 -0.0018738897516185752 -0.01610876630886861 -0.015085461668971073 0.007070086295694373 -0.0018738897516185752 0.007070086295694373 0.010453952549648888" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26280000       2.52002000      -6.66840000      -0.72181619      -0.97784731      -0.15428774
O       -0.41681000      -0.07229000      -2.32971000       0.59301872       0.14801625       0.13915188
O       -0.02090000      -0.05358000      -5.85915000      -0.02585620      -2.77424894       2.50787240
O       -2.58587000      -1.05499000      -3.73201000      -1.23753483       0.10195790      -0.01390821
O       -1.83523000      -2.84732000      -6.02439000       0.28889921       0.02155738      -1.01599736
O       -2.17917000       1.83667000      -3.67037000      -0.20776854      -1.47421572      -0.15815598
O       -3.45216000       3.26348000      -7.98050000       0.62889210      -0.43331034       0.64897502
O       -3.75233000       0.99873000      -6.26135000      -0.02427137       1.05275275      -0.37955716
O       -5.32714000      -2.61748000      -5.32291000       0.91088103       0.29615498      -0.23013872
Zn       0.18586000       1.56044000      -6.30967000       0.30851150       3.45978889      -1.99920897
Zn      -1.10248000       0.01166000      -4.27323000       0.00153732       0.14327975       0.02918294
Zn      -2.94641000      -4.04918000      -1.87615000      -0.04838795      -0.54845752      -0.20621371
Zn      -3.27429000      -2.67486000      -4.84552000      -0.05937903       1.75035152       0.68968121
Zn      -3.73064000       0.63964000      -3.55163000      -0.40672577      -0.76577958       0.14260439
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.40739276 magmom=-0.0002229 free_energy=-70.40739276 stress="-0.005091243265007203 -0.002166343881779354 0.0041774736025407865 -0.002166343881779354 0.0021470723797494574 0.008848636926758482 0.0041774736025407865 0.008848636926758482 0.012221472062314094" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25853000       2.63103000      -6.68952000       0.35376376      -0.16973348       0.42369924
O       -0.35239000      -0.21877000      -2.32091000      -0.52143231       0.74164193      -0.37354118
O        0.11999000      -0.19753000      -5.69821000       0.26878175       0.96447600      -0.53415260
O       -2.69902000      -1.03997000      -3.59336000      -0.01082592      -0.66790430      -0.56296653
O       -1.89245000      -2.79952000      -6.07058000      -0.72085301       0.24092591       0.24627149
O       -2.29390000       1.63033000      -3.75242000       1.18945075       0.51874434       0.12681757
O       -3.32785000       3.25854000      -7.94093000      -1.71242725       0.89091071      -0.12372937
O       -3.59122000       1.21603000      -6.43310000       0.51812699      -1.29274529       0.63735622
O       -5.23015000      -2.52511000      -5.32185000       0.36899975       0.09607248      -0.45068873
Zn       0.12205000       1.67953000      -6.41711000       0.07574986      -2.23510751      -0.27608511
Zn      -1.06923000      -0.06418000      -4.30243000      -1.09576565       0.06129673       0.90948571
Zn      -2.91144000      -4.10886000      -1.89779000       0.36813186       0.72862635      -0.55846316
Zn      -3.25698000      -2.64428000      -4.71336000       0.11413530       0.62263374       0.57963596
Zn      -3.82980000       0.56884000      -3.52072000       0.80416411      -0.49983762      -0.04363952
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.40011396 magmom=-0.0002363 free_energy=-70.40011396 stress="0.03337445697672235 -0.00732130421684905 -0.0005953553981606071 -0.00732130421684905 0.03728314054425129 0.0012817151638217189 -0.0005953553981606071 0.0012817151638217189 0.01696775438305035" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24232000       2.66405000      -6.67927000       1.78365065      -2.29766777       0.05016741
O       -0.36607000      -0.17671000      -2.36058000       0.23123765       0.47575735       0.58775207
O        0.25073000      -0.16529000      -5.63631000      -1.08868072       0.11127210      -0.92969459
O       -2.80072000      -1.12218000      -3.57778000       0.65305687       0.81908793       0.26675877
O       -2.02196000      -2.73144000      -6.10584000       0.47055594      -0.27111190      -0.49807969
O       -2.19185000       1.53306000      -3.77730000       0.00457805       0.68572814       0.13111613
O       -3.47535000       3.42678000      -7.96546000      -0.11439184       0.17058700      -0.23816713
O       -3.40032000       1.22383000      -6.46706000      -1.47895927       1.86348039      -0.01636542
O       -5.08215000      -2.41478000      -5.37945000      -0.50719852      -0.38315452      -0.35085074
Zn      -2.16358000      -0.89243000      -1.67542000      -0.19640436      -1.47057946       0.91559594
Zn      -1.09065000      -0.11676000      -4.28887000      -0.20711247       0.28209855      -0.08397629
Zn      -2.86935000      -4.12364000      -1.93747000       0.46024773       0.92943821       0.41710969
Zn      -3.24169000      -2.59150000      -4.59017000      -0.07097242      -1.39365944      -0.61470836
Zn      -3.87518000       0.49484000      -3.49716000       0.06039272       0.47872342       0.36334221
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.18814427 magmom=-7.02e-05 free_energy=-70.18814427 stress="0.042312090184008756 0.004131529485616122 -0.010396688476007502 0.004131529485616122 0.004358008230399463 0.00217476196741667 -0.010396688476007502 0.00217476196741667 0.011590372739759304" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.16279000       2.64081000      -6.69906000      -1.79324966       3.49801479      -1.42542818
O       -0.33960000      -0.02709000      -2.27377000      -0.03762944      -0.44847101       0.34646976
O        0.14451000      -0.10405000      -5.77461000      -0.69983531      -0.51486491       0.99240682
O       -2.76126000      -1.05898000      -3.55379000       0.18606292      -0.18492193      -1.15059470
O       -2.07131000      -2.71437000      -6.23328000       0.46820370      -0.19826815      -0.08765352
O       -2.06516000       1.59870000      -3.78303000      -0.65082862      -0.20184658       0.04680112
O       -3.65379000       3.61254000      -8.03385000       1.44021763      -1.44230271       0.21391792
O       -3.36241000       1.31109000      -6.44962000       0.94719393      -2.10737388       0.02118892
O       -5.02376000      -2.37008000      -5.46656000      -0.06798244      -0.19370048       0.61091898
Zn      -2.21814000      -0.97933000      -1.71654000       0.10471784       0.54898564       1.47091535
Zn      -1.12828000      -0.15054000      -4.27263000       0.61024354       0.81796786      -0.36377537
Zn      -2.79921000      -4.08611000      -1.95823000      -0.19280795      -0.49273828       0.05349511
Zn      -3.22881000      -2.61196000      -4.50234000       0.24902402      -0.68874221      -1.47185053
Zn      -3.91822000       0.45187000      -3.45052000      -0.56333015       1.60826185       0.74318832
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.65011198 magmom=-0.0001447 free_energy=-69.65011198 stress="0.01639332171560795 -0.01941801254999314 0.012431496135585104 -0.01941801254999314 0.0073169594898635035 0.00687469663269724 0.012431496135585104 0.00687469663269724 -0.006830460373673179" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.11639000       2.73971000      -6.78800000       0.20957045      -1.78459201       2.77038056
O       -0.30224000       0.09576000      -2.05438000      -0.01054753      -0.38594372      -0.78030622
O       -0.17972000      -0.11486000      -5.72951000       2.00203105       0.07939711      -0.50632729
O       -2.66597000      -0.98077000      -3.72645000      -1.52796998      -1.43640798       0.63480306
O       -0.93715000       3.25151000      -6.36818000       0.01714481      -0.29773888       1.39940538
O       -2.03979000       1.63225000      -3.76674000      -0.09211418      -0.80478844       0.00538265
O       -3.55123000       3.57669000      -8.15209000      -0.44882125      -0.02739165      -0.31145542
O       -3.30058000       1.27005000      -6.48860000      -1.51769423       2.28454816      -0.97041879
O       -4.96870000      -2.35346000      -5.45808000       0.30145776      -0.30344241      -0.82769948
Zn      -0.05929000       1.50149000      -6.52352000      -0.10861365       1.72530978      -0.30542633
Zn      -1.14798000      -0.14019000      -4.27240000      -0.48700137       1.21829002       1.46165148
Zn      -2.71313000      -4.07070000      -1.98991000      -0.54550617      -1.83058569      -0.56381184
Zn      -3.19808000      -2.69148000      -4.48364000       0.33834968       1.30899669      -1.76075984
Zn      -4.00296000       0.48957000      -3.33627000       1.86971461       0.25434902      -0.24541792
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.60757567 magmom=0.0001997 free_energy=-69.60757567 stress="0.0036145117490906783 0.0016803839383548694 -0.013159569816636288 0.0016803839383548694 -0.03428186576744236 -0.008875512746465862 -0.013159569816636288 -0.008875512746465862 0.0036247954405302482" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.10350000       2.84297000      -6.78711000      -0.72735959      -0.83022016      -2.19342115
O       -0.26850000       0.15502000      -1.93858000      -0.40317172      -0.00816310      -0.94658974
O       -0.17289000      -0.16944000      -5.75667000       0.59070992      -0.42244476       0.64111300
O       -2.80708000      -1.13484000      -3.85850000       0.56833907       1.86662562       1.91273117
O       -0.84288000       3.14823000      -6.31960000      -0.58369091       0.98611687       1.22532597
O       -2.06687000       1.53050000      -3.77186000      -0.90889772       1.00216363      -0.33188507
O       -3.54081000       3.49573000      -8.36570000      -1.20578331       0.04047114       1.68096022
O       -3.39949000       1.39597000      -6.71035000      -0.00105123      -0.31887142       0.28797054
O       -4.80807000      -2.33403000      -5.51023000       0.12308637       0.87851815       0.42767410
Zn      -0.16877000       1.47268000      -6.48766000       0.43604013      -0.25359827      -0.66788393
Zn      -1.20619000      -0.06167000      -4.18863000       0.17676036      -1.17520148      -0.48552768
Zn      -2.62778000      -4.15452000      -2.05448000      -0.10583499      -0.70108779       0.82613798
Zn      -3.13476000      -2.74632000      -4.56879000       0.42129332      -0.76662222      -1.32206146
Zn      -1.76541000       3.14069000      -8.02421000       1.61956028      -0.29768621      -1.05454395
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.71443267 magmom=-0.0003466 free_energy=-69.71443267 stress="0.004152049838723998 0.004663586269452073 0.005140981795057785 0.004663586269452073 -0.013721402231561012 0.019334567985727035 0.005140981795057785 0.019334567985727035 0.003526241337349566" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.14189000       2.90199000      -6.85058000      -0.64974524      -0.89085501       1.65685389
O       -0.32558000       0.19042000      -2.02196000      -0.17616082      -0.44587277      -0.59247653
O        0.02144000      -0.25632000      -5.76235000      -0.87123280       0.49665132       1.29404080
O       -2.88862000      -1.05415000      -3.63715000       0.49558222      -0.43339992       0.29310826
O       -0.83278000       3.20269000      -6.06119000       0.90189663       0.09543415      -1.45886158
O       -2.25446000       1.57758000      -3.81090000      -0.40068874      -0.03959258       0.70249225
O       -3.75807000       3.48303000      -8.33710000       1.48931590       1.26761714      -0.79579172
O       -3.47010000       1.43545000      -6.85097000       0.28546619      -0.27617801       0.56837985
O       -4.66336000      -2.20252000      -5.59027000      -1.07440157      -0.32965370      -1.53265506
Zn      -0.25095000       1.43921000      -6.48557000       0.40685517      -0.80270999       0.03759140
Zn      -1.26180000      -0.03814000      -4.11031000       1.05519472      -1.20056785      -1.62237996
Zn      -2.55963000      -4.26625000      -2.07589000      -0.51118438       0.75008010       1.20862028
Zn      -3.05780000      -2.79580000      -4.70292000      -0.49541978       1.78616902       1.06937317
Zn      -1.67737000       3.19417000      -7.93767000      -0.45547750       0.02287811      -0.82829503
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9141226 magmom=-6.11e-05 free_energy=-69.9141226 stress="0.008858079911884831 -0.010404155286997433 0.006123159383702325 -0.010404155286997433 0.02880222198408951 0.00932303059230859 0.006123159383702325 0.00932303059230859 -0.00255705596799581" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20569000       2.89347000      -6.88423000       1.79490484      -2.12647039      -2.12788105
O       -0.39044000       0.13088000      -2.19357000       0.30537412      -0.15567678      -0.15063279
O        0.00043000      -0.24309000      -5.53550000      -0.37139898      -0.15813193      -0.68964113
O       -2.85200000      -1.05222000      -3.46077000       0.12142038      -0.72546039      -1.78984579
O       -1.77276000      -2.73181000      -6.15366000      -0.76138087      -0.85639667       0.31156773
O       -2.42714000       1.66423000      -3.74968000       1.47703906       0.44004505      -0.28259132
O       -3.66780000       3.64083000      -8.32538000       0.39007630      -0.66169348       0.93898419
O       -3.45253000       1.38970000      -6.83575000      -0.77385670       2.07447309       0.34614878
O       -4.70666000      -2.11318000      -5.79083000      -0.14404663       0.00537410       1.04518850
Zn      -0.28478000       1.37412000      -6.47352000       0.58274747      -0.62812732       1.31665944
Zn      -1.25429000      -0.08074000      -4.13162000      -0.28856778      -0.27643982      -0.42151760
Zn      -2.53656000      -4.30350000      -2.03082000      -0.11115105       1.92338721       1.20030947
Zn      -3.02743000      -2.75877000      -4.75442000      -0.69205616       1.19865668       0.82123960
Zn      -1.64562000       3.23147000      -7.91923000      -1.52910401      -0.05353936      -0.51798803
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.22909238 magmom=-0.000331 free_energy=-70.22909238 stress="0.002175501804700907 0.0032488392118722397 0.012807957988897401 0.0032488392118722397 0.002944088609684449 0.012401271864820361 0.012807957988897401 0.012401271864820361 -0.0062258469887167146" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.19634000       2.84006000      -6.99638000      -0.54905436       3.13703363       1.36191982
O       -0.37761000       0.04411000      -2.38509000       0.35825516       0.68791111       0.48569117
O       -0.05642000      -0.27243000      -5.50298000       0.93268546      -0.49493185      -0.81822490
O       -2.78869000      -1.18171000      -3.59404000      -0.21286932       1.06229185       0.95946572
O       -0.70222000       3.15263000      -6.11291000      -0.48633858      -0.49315448      -0.12119346
O       -2.31715000       1.77254000      -3.70852000       0.33650475      -1.16961116       0.41990008
O       -3.45779000       3.70334000      -8.23859000      -0.69494057      -0.30468245      -1.32751772
O       -3.46227000       1.48581000      -6.73612000       1.26503936      -2.37767435       0.26518817
O       -4.83018000      -2.10644000      -5.82173000      -0.69734593      -1.23606174      -0.00005760
Zn      -0.28472000       1.28795000      -6.40984000       0.21173802       0.95810890      -0.86460800
Zn      -1.27183000      -0.13686000      -4.16656000      -1.25752360       0.35271949       0.75517479
Zn      -2.52578000      -4.23853000      -1.92448000      -0.30676099      -0.30097964      -0.32528194
Zn      -3.04673000      -2.65095000      -4.75260000      -0.74078160       0.15999356      -0.26897153
Zn      -1.67905000       3.26659000      -7.93607000       1.84139223       0.01903712      -0.52148461
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.87779959 magmom=-9.2e-06 free_energy=-69.87779959 stress="0.0131581040169426 -0.014670093262416929 -0.0029392065449367465 -0.014670093262416929 0.005405619946991552 -0.02038248142311178 -0.0029392065449367465 -0.02038248142311178 0.007773545137477518" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.15248000       2.85627000      -7.05519000       1.48593211      -2.32906964       1.08218555
O       -0.28585000       0.09863000      -2.49120000      -0.07236141       0.03814202       0.36154730
O        0.08262000      -0.32958000      -5.55635000      -0.05743007       0.71152281       2.10801437
O       -2.79086000      -1.12697000      -3.57972000      -1.09554987      -0.14781722       0.68878157
O       -0.83895000       2.94151000      -6.13321000      -0.10602773       2.04457379       0.25452415
O       -2.09662000       1.69002000      -3.61400000      -0.72534782       0.37358203      -0.56618005
O       -3.40510000       3.69131000      -8.38894000      -0.67815705      -0.57468652       0.78550494
O       -3.36953000       1.40971000      -6.62778000      -1.06321180       1.89243308      -1.28903226
O       -5.08833000      -2.27480000      -5.74306000       0.67410831       0.56203812       0.28188274
Zn      -0.27108000       1.23464000      -6.37518000       0.13097198       0.26866419      -0.75245125
Zn      -1.34869000      -0.17439000      -4.17464000       1.48522848       1.11950320      -0.71020771
Zn      -2.53553000      -4.19611000      -1.83955000      -0.76320525      -2.44403100      -1.77538430
Zn      -3.11293000      -2.52942000      -4.76116000      -0.59128706      -1.53314785      -0.09443015
Zn      -1.62361000       3.30245000      -7.98386000       1.37633717       0.01829300      -0.37475490
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.5568353 magmom=-0.0002722 free_energy=-69.5568353 stress="0.021046129086044894 -0.0023790632384192135 0.006898866783164585 -0.0023790632384192135 0.02087632129053222 -0.0006133541940646449 0.006898866783164585 -0.0006133541940646449 0.019909007518829475" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.06607000       2.81645000      -7.03791000      -1.98629458       0.88856470       1.54431001
O       -0.21070000       0.16773000      -2.51575000      -0.56179544      -0.59315733       0.46402559
O        0.19754000      -0.29201000      -5.26389000      -1.01766679      -0.52850725      -2.12538049
O       -2.98007000      -1.05811000      -3.41952000       0.88011590      -0.84555402      -1.06686717
O       -0.97683000       3.08672000      -6.11443000       1.21035958       0.37071567      -0.00177029
O       -2.01376000       1.66811000      -3.63312000      -0.81776801       1.12591996      -0.68887814
O       -3.47776000       3.56357000      -8.43750000       1.55823467       0.30629713       0.67936147
O       -3.33939000       1.43343000      -6.72018000       0.52539059      -1.29623299      -0.17250595
O       -5.19377000      -2.37123000      -5.60974000       1.66141474       0.16691108      -0.77854291
Zn      -0.24964000       1.20544000      -6.37826000      -0.10280416       0.48976887       0.29489168
Zn      -1.36814000      -0.16251000      -4.21088000       0.39296347       0.04884556       0.61622938
Zn      -2.58050000      -4.27114000      -1.82489000       0.47410313      -0.01019932       0.83718512
Zn      -3.23164000      -2.47386000      -4.77530000      -0.87084479      -0.64549648       0.73456350
Zn      -3.71946000       0.77352000      -3.22501000      -1.34540832       0.52212442      -0.33662180
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.69096776 magmom=-6.43e-05 free_energy=-69.69096776 stress="0.003100255468413836 -0.017676140677835562 -0.010049205887151589 -0.017676140677835562 0.035480404552162094 0.0024516409732896287 -0.010049205887151589 0.0024516409732896287 0.02037542235743002" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.06513000       2.76951000      -6.94627000       0.38076616      -1.55948664      -1.44518741
O       -0.25693000       0.12706000      -2.43663000       0.17114401       0.02672655       0.31906373
O        0.11907000      -0.36167000      -5.35591000      -0.25350508       0.34741899      -1.10588837
O       -3.02052000      -1.12727000      -3.43352000       1.44586782       1.03805086       0.05231507
O       -1.95760000      -2.64397000      -6.15790000      -0.46620711      -1.51462656      -0.07687129
O       -2.08946000       1.85729000      -3.79656000       0.50459856      -1.21022711       0.56926861
O       -3.27442000       3.47262000      -8.28896000      -0.98905919       0.45789058       0.79472914
O       -3.27515000       1.32416000      -6.86705000      -1.13911634       0.89164929       0.68101347
O       -4.97568000      -2.39119000      -5.58403000      -1.78165134       0.19145460      -1.25632095
Zn      -0.23397000       1.20408000      -6.37577000      -0.43141135       1.01913671      -0.30420953
Zn      -1.36252000      -0.13769000      -4.22065000      -0.14226611       0.03785585       0.82211944
Zn      -2.60838000      -4.36142000      -1.77734000       1.11061391       0.62382655      -0.34358915
Zn      -3.39801000      -2.45773000      -4.75346000       2.32446006      -0.21626352       0.73091673
Zn      -3.62754000       0.84541000      -3.32692000      -0.73423400      -0.13340616       0.56264050
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.68916389 magmom=-3.82e-05 free_energy=-69.68916389 stress="-0.004125622452722785 -0.030689758046430732 -0.004987654304935418 -0.030689758046430732 0.010535394844028923 0.008129913887706132 -0.004987654304935418 0.008129913887706132 -0.004758570934703281" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.09420000       2.67054000      -6.93649000       0.65360152      -2.16499309      -0.79672696
O       -0.28683000       0.07172000      -2.30741000      -0.38658068      -0.19017274      -0.78915553
O       -0.01868000      -0.34004000      -5.64261000      -0.00012800       0.44460493       1.90371847
O       -2.78785000      -1.03459000      -3.48253000      -1.02756120      -0.52774434      -0.23150977
O       -1.95954000      -2.70110000      -6.15486000      -0.37245163      -1.40735070      -0.15345417
O       -2.06574000       1.82288000      -3.85925000       0.82983238      -0.27256304       0.37136214
O       -3.20997000       3.51723000      -8.04549000      -0.63248420       0.48365833      -1.55523414
O       -3.33592000       1.18851000      -6.87012000      -1.05689506       1.41093538       0.69973927
O       -5.03995000      -2.33934000      -5.72501000      -0.00940337       0.35922921       1.86327436
Zn      -0.24262000       1.26768000      -6.38901000      -0.70651950       2.33456292      -0.64625269
Zn      -1.35251000      -0.11126000      -4.19239000       1.99930561       0.29493836      -0.89759775
Zn      -2.57568000      -4.42715000      -1.75207000       0.31684878      -0.41430578      -0.90273207
Zn      -3.45541000      -2.45076000      -4.69035000       1.62457405       0.25577892       0.02190470
Zn      -3.58749000       0.91039000      -3.39730000      -1.23213869      -0.60657836       1.11266413
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.64223561 magmom=-6.48e-05 free_energy=-69.64223561 stress="0.0230556801980767 0.006106180525287565 0.0013389500084758697 0.006106180525287565 0.012364417713265886 -0.00035499157996451525 0.0013389500084758697 -0.00035499157996451525 0.012660864149840927" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.11952000       2.56469000      -6.95133000      -0.97470459       4.40330138       1.07183626
O       -0.33744000      -0.03440000      -2.33287000       0.66744122      -0.34271563      -0.25383802
O       -0.14119000      -0.25839000      -5.61738000       0.95854616      -0.72822840      -1.41453046
O       -2.76080000      -1.02845000      -3.56615000      -0.72874325       0.10219161      -0.21041613
O       -1.00717000       3.00627000      -6.10925000      -0.25370233       3.30625311       0.09033919
O       -1.90535000       1.72158000      -3.80186000      -0.94909929       1.04274100       0.80582507
O       -3.31940000       3.61095000      -8.08030000      -0.20698504      -1.53134439      -0.01935425
O       -3.50035000       1.12107000      -6.71965000       0.64708520      -0.77254323       0.23372528
O       -5.18601000      -2.33275000      -5.66995000       1.07124183      -2.04642547      -0.32685914
Zn      -0.28350000       1.42851000      -6.43234000       0.56156055      -2.43761290      -0.13522657
Zn      -1.24570000      -0.07536000      -4.20403000       0.20667928      -0.36090992       0.22144381
Zn      -2.51913000      -4.49061000      -1.77097000      -0.50863773       0.85694991       0.12450144
Zn      -3.40744000      -2.43659000      -4.62407000       0.46727042      -0.91355035      -0.89032327
Zn      -3.61123000       0.94169000      -3.40692000      -0.95795243      -0.57810670       0.70287680
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.22750288 magmom=-7.34e-05 free_energy=-70.22750288 stress="0.028574183080477517 -0.011518301166312962 -0.00955623657918252 -0.011518301166312962 0.03496577590929231 -0.017006742731269293 -0.00955623657918252 -0.017006742731269293 -0.00023730693299603542" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17106000       2.62716000      -6.90572000       0.73456826      -4.08964071       0.13952708
O       -0.31829000      -0.17846000      -2.42239000      -0.80630586       0.61968207       0.54615718
O       -0.08496000      -0.29480000      -5.78127000       0.06006074       1.18548445       0.56921911
O       -2.90267000      -0.96657000      -3.63441000       0.71432010       1.15834881       0.32472445
O       -2.16574000      -2.75537000      -6.22047000       1.05192704      -0.26902273      -0.19467268
O       -1.91516000       1.80061000      -3.61171000      -0.62303428      -0.35261484      -0.73961728
O       -3.44338000       3.44123000      -8.18107000       0.60682293       0.01390290      -0.05930231
O       -3.59745000       1.08581000      -6.55173000      -0.10182581       2.08091884      -1.03587875
O       -5.11087000      -2.62750000      -5.55291000       0.08476041       1.43245495       1.45385760
Zn      -0.30994000       1.49188000      -6.48384000      -0.43495359      -0.84867454      -0.14644975
Zn      -1.12091000      -0.05067000      -4.21835000      -0.74631317      -0.08109764      -0.49781908
Zn      -2.49462000      -4.51232000      -1.78822000      -0.57180648       0.24735686      -0.05664712
Zn      -3.33366000      -2.47654000      -4.61119000       0.45643325      -0.74909999      -0.45305998
Zn      -3.68940000       0.93750000      -3.37612000      -0.42465353      -0.34799845       0.14996153
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9141541 magmom=-4.41e-05 free_energy=-69.9141541 stress="0.01880000167207533 0.0006422478687063862 -0.011151878356007028 0.0006422478687063862 0.010253151154956612 0.012903102630269015 -0.011151878356007028 0.012903102630269015 0.02761024511012513" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20840000       2.57960000      -6.83064000      -0.19585461       1.12795116       0.92262013
O       -0.39658000      -0.18595000      -2.38431000       0.41730152       0.60960948       0.73922473
O        0.01131000      -0.16295000      -5.86038000      -0.21277865      -0.62036502       1.25766902
O       -2.88129000      -0.75010000      -3.65437000       0.66518743      -1.79364274      -0.54984476
O       -2.09100000      -2.50057000      -6.25341000       0.13739213      -1.60006197       0.68606751
O       -2.04278000       1.82813000      -3.58329000       0.47451657      -0.28149640      -0.90390740
O       -3.46455000       3.24170000      -8.22529000      -0.42196225       0.19387374       1.16954656
O       -3.58971000       1.16531000      -6.56190000       0.88320546      -1.95729495      -0.27898920
O       -5.04231000      -2.72215000      -5.34620000      -0.96353368       0.27632722      -1.95452853
Zn      -0.34500000       1.49092000      -6.54192000      -0.37435989       0.92184691      -0.71383233
Zn      -1.05450000      -0.03332000      -4.24909000      -0.85110642       0.20940642      -0.60613792
Zn      -2.50022000      -4.50695000      -1.80252000      -0.04991850       1.22606048       0.08380387
Zn      -3.24453000      -2.54519000      -4.62513000       0.76924737       1.08860068       0.20319562
Zn      -3.78476000       0.92226000      -3.34001000      -0.27733646       0.59918501      -0.05488731
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.41932571 magmom=-0.0002443 free_energy=-70.41932571 stress="0.023206895567752378 -0.01543522835681613 0.003750461217565159 -0.01543522835681613 0.024579533641139 0.010495430604650602 0.003750461217565159 0.010495430604650602 0.005293617782142586" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23928000       2.49418000      -6.71030000       0.70715984      -2.23943585      -0.92707104
O       -0.42114000      -0.05267000      -2.19222000      -0.16754717      -0.42786273      -0.44288217
O        0.07943000      -0.09908000      -5.70225000       0.39183300      -0.38175195      -1.53720464
O       -2.73570000      -0.86667000      -3.76898000      -0.41560248      -0.11732119       0.49273008
O       -1.97242000      -2.62085000      -6.17810000      -0.31844240      -0.92989061      -0.70160692
O       -2.09446000       1.75747000      -3.74217000      -0.10859640      -0.59267615       0.71875518
O       -3.52055000       3.14169000      -8.07466000       0.25724363       1.25410665      -0.30766435
O       -3.47685000       1.02818000      -6.64804000      -0.92906539       0.86763936       0.70529804
O       -5.12504000      -2.66162000      -5.40650000       0.81295424       0.50980069       0.85663329
Zn      -0.40094000       1.52617000      -6.63455000       0.35028868      -0.57485999       0.11793220
Zn      -1.04521000      -0.00427000      -4.30569000      -1.51641792       0.32588411       1.19475160
Zn      -2.51059000      -4.43087000      -1.81460000       0.10948935       1.82502866      -0.02610619
Zn      -3.11687000      -2.55458000      -4.62941000      -0.28429528       0.61545536       0.06183802
Zn      -3.88718000       0.92942000      -3.30833000       1.11099829      -0.13411635      -0.20540311
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.86379369 magmom=-0.0002748 free_energy=-69.86379369 stress="0.04073917331748897 -0.0067404298750830954 -0.0030348819580029167 -0.0067404298750830954 0.009278901113022658 -0.010089013346062178 -0.0030348819580029167 -0.010089013346062178 0.012728221374131288" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25127000       2.35981000      -6.62285000       1.04715755       1.83499720      -0.45008966
O       -0.43248000      -0.00528000      -2.07215000       0.27865513      -0.66233092      -0.54033564
O        0.17432000      -0.12762000      -5.76368000      -0.93325279       0.70485429       0.23869397
O       -2.64458000      -1.01404000      -3.78617000      -0.24889657       1.00922397       0.34271665
O       -0.86463000       3.12657000      -6.12633000      -0.49460490       2.58839674       0.16690423
O       -2.15579000       1.59590000      -3.77685000      -0.09668228       1.29746165       0.67692653
O       -3.55601000       3.25655000      -7.92431000      -0.18436820      -0.47899617       0.16251284
O       -3.46648000       0.89420000      -6.60603000      -0.96879807       1.13234825       0.56968926
O       -5.06410000      -2.58215000      -5.40676000       0.55534411      -1.64970930      -0.17196296
Zn      -0.43524000       1.52264000      -6.73172000       1.39329523      -3.11367311       0.48907572
Zn      -1.10485000       0.04153000      -4.31923000       0.36139619      -0.06825689      -0.29659511
Zn      -2.51831000      -4.26079000      -1.82999000      -0.47603753      -0.58960475      -0.41963004
Zn      -3.00293000      -2.54523000      -4.63854000      -1.03241845      -1.86288898      -0.71770204
Zn      -1.69883000       3.50763000      -8.12313000       0.79921058      -0.14182199      -0.05020376
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.18266866 magmom=-0.0002579 free_energy=-70.18266866 stress="0.026443004728683158 -0.0026494969686178564 0.000657795992225728 -0.0026494969686178564 0.005132851330644008 0.01142058047936284 0.000657795992225728 0.01142058047936284 -0.01538018887561588" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22882000       2.34650000      -6.58493000      -0.47719400       1.78221238       0.30093713
O       -0.39931000      -0.10306000      -2.07252000      -0.02017335       0.31359002      -0.10405985
O        0.10441000      -0.01489000      -5.78188000      -0.03179205      -0.74825359       1.69273821
O       -2.63921000      -0.97858000      -3.77511000      -0.69028229       0.07474031      -0.84206129
O       -1.94414000      -2.73320000      -6.26729000       0.52620549      -0.47256836      -0.48996493
O       -2.20907000       1.68938000      -3.66244000       1.05908759       0.42769328      -0.14133203
O       -3.58030000       3.32121000      -7.80276000       0.66142846      -0.36504708      -1.06567642
O       -3.60124000       0.87276000      -6.42670000       0.32186174      -0.65442791      -0.23384277
O       -4.85212000      -2.77579000      -5.31967000      -0.95621653      -0.31758491       0.23916511
Zn      -0.40054000       1.38608000      -6.78816000       0.38821496       1.75073661       0.60905566
Zn      -1.16020000       0.09085000      -4.33658000       0.16529056       0.27344643       0.30987593
Zn      -2.55602000      -4.11759000      -1.87272000      -0.55374963      -1.82029082      -0.38403469
Zn      -2.94496000      -2.62090000      -4.67680000      -0.60239513      -0.13591248      -0.05387003
Zn      -1.70477000       3.50346000      -8.10254000       0.20971418      -0.10833388       0.16306997
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.43410142 magmom=-1.49e-05 free_energy=-69.43410142 stress="0.0016242670104002557 -0.007855178434519822 0.008264464197079864 -0.007855178434519822 0.032991234664007905 0.00338807532173921 0.008264464197079864 0.00338807532173921 -0.017168627636237197" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21534000       2.41476000      -6.54903000       0.12705092      -3.21553373      -0.10200527
O       -0.36479000      -0.14288000      -2.10501000      -0.10643758       0.76389872       0.10476946
O        0.04548000      -0.00564000      -5.52949000       1.29613626      -0.62065902      -2.21212433
O       -2.77912000      -0.90736000      -3.88908000      -0.19558993      -0.14687110       0.95838612
O       -1.89512000      -2.62497000      -6.38209000      -0.38794678      -1.48671205       1.08098849
O       -2.06837000       1.86265000      -3.57425000       0.00694781      -1.59923239      -1.33478102
O       -3.50705000       3.28165000      -7.85662000      -0.62898196      -0.56242179       0.58709243
O       -3.73550000       0.80596000      -6.28457000      -0.19966919       2.09009717      -1.33383469
O       -4.83756000      -3.00765000      -5.14129000      -1.22865443       1.32112647      -0.07612410
Zn      -2.56776000      -1.26813000      -1.98418000       0.65169742       1.36538760      -0.16221335
Zn      -1.22434000       0.15635000      -4.32676000      -1.57533446       0.15675811       1.96766400
Zn      -2.62153000      -4.05667000      -1.92639000       1.01256621      -0.04946722       2.54505777
Zn      -2.90976000      -2.70758000      -4.73750000       0.25644001       1.88678267      -1.21709353
Zn      -1.68693000       3.49429000      -8.07857000       0.97177570       0.09684656      -0.80578198
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.49137224 magmom=0.0002445 free_energy=-69.49137224 stress="0.020342309672279547 0.010998800401419513 0.005337000795661592 0.010998800401419513 -0.019150584917834796 -0.0064180557914180255 0.005337000795661592 -0.0064180557914180255 0.01259843331749608" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23392000       2.37901000      -6.51069000      -1.99598842       2.77316935       1.01512391
O       -0.37035000      -0.02298000      -2.13025000      -0.52412555      -0.07098275      -0.11539526
O        0.15994000      -0.14397000      -5.57465000      -1.07677203       1.49785461       0.33093223
O       -2.97871000      -0.87578000      -3.84296000       0.74898212      -0.83781200      -0.28152546
O       -0.80378000       3.18813000      -6.27200000       0.84738763       0.05617788      -1.02164819
O       -1.89964000       1.77853000      -3.68830000      -1.40000288       2.45987212       1.41877379
O       -3.48861000       3.12861000      -7.82939000       0.56003181       0.44386840       0.38935107
O       -3.82057000       0.88436000      -6.39366000       1.11470182      -2.97697522      -0.11486567
O       -5.10404000      -3.00012000      -4.98155000       0.56161197      -0.22494037      -1.55114666
Zn      -2.45174000      -1.26516000      -2.02807000       0.73538964       0.14252350       1.00200030
Zn      -1.34244000       0.21907000      -4.23501000       2.42110833      -3.27946969      -1.54541799
Zn      -2.64974000      -4.01389000      -1.86702000       0.12811557      -1.65390457      -0.00968633
Zn      -2.87442000      -2.70172000      -4.85460000      -1.82834806       1.47549424       1.15879079
Zn      -3.85975000       0.91634000      -3.25729000      -0.29209196       0.19512450      -0.67528652
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.717422 magmom=-3.03e-05 free_energy=-69.717422 stress="0.034172557263169874 -0.00011567176027538251 -0.008983145324398433 -0.00011567176027538251 0.028323905099389653 0.007645850938633294 -0.008983145324398433 0.007645850938633294 0.01069409744691239" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.34410000       2.36648000      -6.45135000       1.13241220      -2.75946575      -2.80756676
O       -0.47024000       0.10427000      -2.18082000       0.28866890      -0.54873048      -0.21394969
O        0.08605000      -0.01375000      -5.59323000      -0.78657295      -0.51660136       0.96729203
O       -3.02349000      -0.99678000      -3.83730000       1.17941527       0.52009949      -0.40155765
O       -0.68071000       3.01302000      -6.33114000      -1.17418208       1.96892842       0.84481259
O       -3.04174000      -4.02992000      -3.69094000      -0.69489838      -1.16047993      -0.10015273
O       -3.39569000       3.06431000      -7.67750000      -0.27762444       0.75402905       0.70734286
O       -3.79374000       0.75060000      -6.55523000      -1.30138265       2.46742322       1.10889070
O       -5.26922000      -2.95936000      -5.03916000       0.71281120      -0.08412321       0.45718210
Zn      -2.29035000      -1.25250000      -2.02686000       0.22422234      -0.26208174       0.01380380
Zn      -1.36414000       0.15524000      -4.19701000       1.04691742       0.16888839      -0.64798284
Zn      -2.66503000      -4.05222000      -1.78270000       0.28697751      -0.94181615       0.14382896
Zn      -2.91874000      -2.60643000      -4.94079000      -0.48104614       0.43905835       0.06588866
Zn      -3.79865000       0.91984000      -3.31213000      -0.15571821      -0.04512831      -0.13783204
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.82300746 magmom=-0.0003678 free_energy=-69.82300746 stress="-0.004259828492936152 -0.0028081403208551924 0.0140022500632909 -0.0028081403208551924 0.020978351901813 0.011778064462442069 0.0140022500632909 0.011778064462442069 0.003118798005868393" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.41095000       2.30065000      -6.52239000       1.57302327       2.45052495       1.12358987
O       -0.52501000       0.09351000      -2.27313000      -0.08225907      -0.49950938      -0.01725029
O       -0.09792000       0.05470000      -5.47264000       1.57568286      -0.89625706      -2.18227540
O       -2.84019000      -0.99448000      -3.87885000      -0.31646354       0.57711323       0.90456573
O       -0.75054000       3.14846000      -6.27780000      -0.08529077      -0.76002590      -0.17557795
O       -3.25738000      -3.97029000      -3.62100000       0.83396465      -0.38010858      -0.66808367
O       -3.32450000       3.16824000      -7.44776000      -0.20006056       0.10553579      -0.91417428
O       -3.92188000       0.78513000      -6.51512000      -0.15314074      -1.16803056       0.28357752
O       -5.27852000      -2.98093000      -5.07277000      -0.31434723      -1.01248528      -1.00497602
Zn      -2.13577000      -1.24451000      -2.01324000      -0.85016741       0.45600290       0.64849433
Zn      -1.32690000       0.08698000      -4.19629000      -0.41435222       1.54583141       0.55915901
Zn      -2.66525000      -4.13653000      -1.70735000       0.35051243       0.71386211      -0.11878150
Zn      -3.00036000      -2.50435000      -5.00228000      -1.25878199      -0.99758428       1.19173815
Zn      -3.75585000       0.92367000      -3.36855000      -0.65831969      -0.13486935       0.36999452
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9823763 magmom=-0.0003583 free_energy=-69.9823763 stress="0.0025755443915662464 -0.012466649344831085 1.232703669720157e-05 -0.012466649344831085 0.021032270314351603 -0.002455373202260124 1.232703669720157e-05 -0.002455373202260124 -0.0071878537799719725" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.37680000       2.32379000      -6.57065000       0.26127706      -1.33418213      -0.71817548
O       -0.53508000      -0.00197000      -2.34034000       0.97660798       0.53378712       0.45882334
O       -0.02092000      -0.07230000      -5.66658000       0.22348960       0.66639579       1.33993279
O       -2.78062000      -0.91628000      -3.76866000      -1.10208057      -0.79516673      -0.60112208
O       -0.83005000       3.16409000      -6.25282000       0.50849014      -0.41874236      -0.03595080
O       -3.27199000      -4.01410000      -3.70551000       1.04103796      -0.20477266      -0.30391901
O       -3.30591000       3.29351000      -7.43978000      -0.37129622      -0.58188980      -0.80832812
O       -4.09174000       0.71153000      -6.42104000       0.23394158       0.99566807      -0.56961666
O       -5.32373000      -3.11494000      -5.14082000      -0.17854646       0.86052730       1.48948208
Zn      -2.04567000      -1.21581000      -1.97091000      -1.13916165       0.32108517       0.60012945
Zn      -1.28437000       0.11602000      -4.19512000       1.12300130       1.64465971      -1.50437763
Zn      -2.65257000      -4.18787000      -1.65344000      -0.67498169      -1.06173513      -1.42783164
Zn      -3.13215000      -2.46008000      -4.98961000      -0.29184908      -0.34851383       1.48928762
Zn      -3.75637000       0.91696000      -3.39709000      -0.60992993      -0.27712052       0.59166613
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.9864394 magmom=-0.0002599 free_energy=-69.9864394 stress="0.02608912585999957 0.006822038649236044 -0.010360244429051651 0.006822038649236044 0.03631809264008953 -0.005085419668607862 -0.010360244429051651 -0.005085419668607862 0.037743924349492045" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30545000       2.33186000      -6.61008000      -0.34327071      -1.87020259       2.36512001
O       -0.40114000       0.00131000      -2.34384000      -0.95310641       0.45971597      -0.35888624
O        0.16063000      -0.12891000      -5.68145000      -0.59224062      -0.36954343       0.73076856
O       -2.93906000      -0.97143000      -3.74648000       0.97662181       0.78141248      -0.21336329
O       -0.80437000       3.07542000      -6.24369000      -0.58110165       0.43631225       0.44363380
O       -1.99205000       1.87774000      -3.78072000      -0.91085852       0.05343826       0.85162622
O       -3.36253000       3.29447000      -7.63241000      -0.17608102      -0.56560583       0.24386043
O       -4.20763000       0.67778000      -6.43524000       0.97166695       1.82181121      -0.79744655
O       -5.39796000      -3.13384000      -5.05131000       0.91343452       0.12140749      -1.42499073
Zn      -2.01799000      -1.16327000      -1.89365000      -1.00189772      -0.02523098      -0.30766847
Zn      -1.18628000       0.24146000      -4.26548000       0.38863626      -0.54123710      -1.06592385
Zn      -2.67068000      -4.28249000      -1.66880000       0.04664974       0.62732619      -0.61628967
Zn      -3.30082000      -2.43879000      -4.88884000       0.50268883      -0.77053653       0.13685316
Zn      -3.78925000       0.89499000      -3.39666000       0.75885854      -0.15906740       0.01270662
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.04647796 magmom=-8.46e-05 free_energy=-70.04647796 stress="0.029026479219737222 0.008179584984492118 -0.0013938982388126983 0.008179584984492118 0.019316976491984026 -0.011320541627266766 -0.0013938982388126983 -0.011320541627266766 0.03025397711508037" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28173000       2.30165000      -6.57113000      -1.45054125       2.43825313      -2.47311715
O       -0.39841000       0.08838000      -2.37472000      -0.13717846      -0.56946585       0.77976483
O        0.24140000      -0.21982000      -5.54964000      -0.00019613      -0.01632571      -1.66369861
O       -2.92144000      -0.89420000      -3.79323000       0.85975795      -0.05861207       0.09568560
O       -0.89196000       3.06982000      -6.13874000      -0.38746580       0.32606375       0.03603569
O       -1.98533000       1.81942000      -3.73830000      -1.15489409       0.56823785       0.87407488
O       -3.44193000       3.15374000      -7.77577000       0.37822149      -0.32545955       0.83271267
O       -4.08634000       0.74890000      -6.58982000       0.79239780      -2.07437876       0.12910000
O       -5.28760000      -3.07813000      -5.10539000       0.29289295       0.11655880       0.65927556
Zn      -2.04549000      -1.11232000      -1.82751000      -0.69228152      -0.68666241      -0.42285405
Zn      -1.05955000       0.34062000      -4.39722000      -0.64880414      -0.48137857       0.45022371
Zn      -2.69056000      -4.35593000      -1.72460000       0.33378521       1.26421505       0.03688426
Zn      -3.44148000      -2.45616000      -4.77040000       1.44610568      -0.05668772       0.26111917
Zn      -3.78900000       0.86078000      -3.38785000       0.36820031      -0.44435794       0.40479344
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.80224249 magmom=-0.0001072 free_energy=-69.80224249 stress="0.02145504254258558 -0.017816778774206916 -0.01890056793793405 -0.017816778774206916 0.049066630076493506 0.008378881975756765 -0.01890056793793405 0.008378881975756765 0.026028888312686085" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.33643000       2.31376000      -6.62351000       1.88761918      -2.81452902      -0.43799309
O       -0.46547000       0.07136000      -2.28166000      -0.26868149      -0.44408587      -0.14203042
O        0.29020000      -0.28649000      -5.71435000      -0.27837307       1.22371742      -0.00576573
O       -2.71447000      -0.82257000      -3.81594000       0.24983501      -0.55892458       0.04182124
O       -1.03385000       3.12267000      -6.03665000       0.80924915      -0.41643992      -0.36371737
O       -3.25644000      -4.11960000      -3.59914000       0.92307991      -0.32291397      -1.00763324
O       -3.41395000       3.01091000      -7.80604000      -0.02796747       0.90293800      -0.11791054
O       -3.84106000       0.69706000      -6.71552000      -1.25901550       2.45155901       0.79715873
O       -5.16488000      -3.03207000      -5.15180000      -1.41751163      -0.59907916      -1.06640005
Zn      -2.11270000      -1.09726000      -1.79185000      -0.65170379      -0.18614969      -0.86902399
Zn      -0.97446000       0.39960000      -4.50067000      -1.64095132      -0.24251838       1.35156162
Zn      -2.69752000      -4.35930000      -1.77388000      -0.47933786       0.50173369       0.83841497
Zn      -3.48704000      -2.47028000      -4.64413000       2.51740041       1.13778232       0.35917104
Zn      -3.76856000       0.80433000      -3.35927000      -0.36364152      -0.63308986       0.62234682
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.93845477 magmom=-0.0003061 free_energy=-69.93845477 stress="0.036596033145661046 -0.0060157335744840746 -0.023193747972333412 -0.0060157335744840746 0.0019140946386227535 0.01518824954382957 -0.023193747972333412 0.01518824954382957 0.01489556864091772" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.33045000       2.25572000      -6.73292000      -0.55125656       1.99709287       0.26714497
O       -0.53774000      -0.05292000      -2.20657000       0.94366579       0.19810479      -0.71078429
O        0.27536000      -0.14164000      -5.89176000      -0.65396954      -1.05757245       1.45313377
O       -2.47551000      -0.86326000      -3.83962000      -1.07170971       0.11086057      -0.14686970
O       -1.01295000       3.09438000      -6.01754000       0.42556125      -0.02246022      -0.34296170
O       -3.28868000      -4.12734000      -3.61216000       0.54272182      -0.46086914      -0.87946028
O       -3.38402000       3.06218000      -7.86007000      -0.55693759       0.40065628      -0.31104572
O       -3.75757000       0.79132000      -6.67949000       0.22191525      -2.05326052       0.22353233
O       -5.25432000      -3.06381000      -5.30637000       0.85034748       0.41242237       0.42833588
Zn      -2.21346000      -1.08773000      -1.80894000      -0.12464784       1.08310611      -1.22061082
Zn      -0.98564000       0.44326000      -4.52116000      -1.01688938      -0.55753022       1.02154721
Zn      -2.72352000      -4.33083000      -1.77341000       0.01425510       0.21782961       0.89321800
Zn      -3.40159000      -2.43035000      -4.51009000       0.81386603       0.06103901      -0.92341478
Zn      -3.76107000       0.71479000      -3.29764000       0.16307791      -0.32941906       0.24823514
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.78123404 magmom=-0.0002504 free_energy=-69.78123404 stress="0.02201946195069582 -0.0042194155639497894 -0.0085926127190184 -0.0042194155639497894 0.009187715648134866 -0.007912580813761928 -0.0085926127190184 -0.007912580813761928 0.018023266358475128" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30602000       2.24489000      -6.82336000       1.76273065      -0.11392035       1.45302682
O       -0.45761000      -0.15863000      -2.29183000      -0.44168778       0.28294151      -0.47844209
O        0.11037000      -0.12936000      -5.79088000       0.05941194       0.13488327      -0.27203088
O       -2.43454000      -0.88499000      -3.88113000      -0.92008556       0.69883669       0.44578239
O       -0.89143000       3.07597000      -6.07366000      -0.68362456       1.06586338       0.33519581
O       -2.13185000       1.77678000      -3.74697000      -0.68446967       0.84666609       1.37756782
O       -3.46820000       3.22291000      -7.98661000       0.05708534      -1.04155468       0.43359716
O       -3.71807000       0.69640000      -6.60924000      -0.50671182       1.61025960      -0.70191899
O       -5.19028000      -3.01129000      -5.41783000       0.65259780       0.15844008      -0.23739773
Zn      -2.32864000      -1.03897000      -1.89574000       1.52556519      -1.70735698       0.07855603
Zn      -1.06265000       0.45957000      -4.48224000       0.17167904      -0.67285274       0.27946193
Zn      -2.75628000      -4.28415000      -1.72186000       0.21878649       0.08173268      -0.31252666
Zn      -3.25304000      -2.38610000      -4.41216000      -0.49643335      -2.16071620      -1.73647290
Zn      -3.75052000       0.59633000      -3.21577000      -0.71484371       0.81677765      -0.66439869
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.8296484 magmom=-0.0003038 free_energy=-69.8296484 stress="0.009610016480150602 -0.0013018674801024783 0.004824712568917796 -0.0013018674801024783 -0.0036207912128335563 -0.0061016418746134785 0.004824712568917796 -0.0061016418746134785 -0.0012359277087761137" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22645000       2.28100000      -6.83876000      -0.16799006      -0.42310541       0.16416671
O       -0.39537000      -0.20047000      -2.47436000       0.05024249       0.34141995       0.72751080
O       -0.03197000      -0.11593000      -5.71685000       1.06270852       1.23606535      -1.09115430
O       -2.62468000      -0.78296000      -3.86300000      -0.18524919      -0.66770346      -0.48160136
O       -1.96172000      -2.79021000      -6.14726000      -0.49474215      -1.01042700       0.36353793
O       -2.17103000       1.83228000      -3.67483000      -0.17942773      -0.21803294       1.28596809
O       -3.49475000       3.19860000      -8.07541000       0.66765181      -0.73998184       0.07076525
O       -3.70592000       0.71707000      -6.65210000       0.00045219       1.47031279      -0.39884533
O       -4.95410000      -2.88512000      -5.52681000      -0.25376695      -0.07290523       0.05730074
Zn      -2.37169000      -1.05875000      -1.98132000       1.63174936      -1.18475055       1.77696801
Zn      -1.14252000       0.44035000      -4.41453000      -0.08679952       0.13046959       0.87980848
Zn      -2.77718000      -4.23028000      -1.68423000       0.35796279      -0.18605626      -0.93249086
Zn      -3.11558000      -2.44933000      -4.40792000      -0.53841136      -0.95769711      -1.85506311
Zn      -3.78447000       0.51992000      -3.16361000      -1.86438020       2.28239212      -0.56687106
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.75911889 magmom=-0.0002185 free_energy=-69.75911889 stress="-0.0025171553358369915 0.008219708245039948 -0.003181425682928053 0.008219708245039948 -0.01423623064017188 0.02074553203965963 -0.003181425682928053 0.02074553203965963 -0.015678722553982234" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17589000       2.34374000      -6.84099000      -0.66634021       1.43706430      -1.05907841
O       -0.34141000      -0.16723000      -2.51517000      -0.39504881       0.37449784       0.80252031
O        0.00558000       0.06413000      -5.78583000      -0.36480583      -2.26854318       2.19759700
O       -2.82769000      -0.79069000      -3.91005000       1.13272776      -0.33085906       0.28900058
O       -2.03294000      -2.81624000      -6.08998000       1.35900175      -0.90520318      -0.74360085
O       -3.35279000      -4.11547000      -3.41947000       0.02909881      -0.50377386      -2.27755477
O       -3.41112000       3.03135000      -8.19033000      -2.14011290       0.16217375      -0.16987568
O       -3.63783000       0.86109000      -6.75111000       0.59972683      -1.49452624       0.56452076
O       -4.76744000      -2.76368000      -5.60402000      -0.86456859      -0.28437456       0.05284144
Zn      -2.32766000      -1.12974000      -1.99747000       0.55363408       2.21235406      -1.21221055
Zn      -1.21684000       0.41478000      -4.31189000       0.10608774      -0.08662526       0.03406066
Zn      -0.54338000      -1.61037000      -6.51895000       0.31622831       0.10580511       1.61598804
Zn      -3.01374000      -2.57477000      -4.50280000      -1.06023997      -0.12782005      -0.29198586
Zn      -1.66275000       3.13622000      -7.97629000       1.39461103       1.70983033       0.19777733
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.38094601 magmom=-0.0001993 free_energy=-70.38094601 stress="0.019874310314240234 -0.008389522612861734 0.00856352460888437 -0.008389522612861734 0.024451552813471188 0.00453323278826364 0.00856352460888437 0.00453323278826364 0.010642744513077344" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17778000       2.41019000      -6.88952000       0.62573891      -2.78577916       0.35500164
O       -0.36848000      -0.06436000      -2.37036000      -0.15165816       0.04157158       0.59476949
O       -0.00637000      -0.05317000      -5.55670000      -0.00673892       0.71169452      -0.69818893
O       -2.79751000      -0.88584000      -3.90493000       0.11760052      -0.24038498       0.43786924
O       -0.80450000       2.99001000      -6.08533000      -0.21566485       0.81704582       0.33710179
O       -3.42657000      -4.18817000      -3.49534000       0.37706825       0.27957783      -0.23990730
O       -3.59004000       2.97133000      -8.35947000       0.81395933       0.83976489       0.22993936
O       -3.51409000       0.85813000      -6.74438000      -1.20255556       2.33566987       0.11559497
O       -4.76434000      -2.68890000      -5.64345000      -0.42075651      -0.17297400      -0.70781094
Zn      -2.25404000      -1.12512000      -2.03353000       0.72506120      -1.50509843       0.79385719
Zn      -1.27593000       0.39065000      -4.22247000       0.23930341      -0.30273783      -0.48104381
Zn      -0.53609000      -1.57009000      -6.45856000      -0.28923125      -0.50827887       0.03273697
Zn      -2.98106000      -2.67958000      -4.60866000      -0.74428320       0.54210924      -0.28397655
Zn      -1.72301000       3.25831000      -7.95408000       0.13215684      -0.05218048      -0.48594312
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.22230632 magmom=-0.0002597 free_energy=-70.22230632 stress="0.015471725737467459 -0.0010397150154196034 0.007298423637065221 -0.0010397150154196034 -0.00688506014055551 0.0012120824163757515 0.007298423637065221 0.0012120824163757515 0.014081088905625854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.19116000       2.39785000      -6.94160000      -1.35924438       2.63019654      -0.48655008
O       -0.40230000       0.02045000      -2.13855000       0.00562052      -0.40672991      -0.56708046
O       -0.02074000      -0.06637000      -5.46559000       0.17439842       0.64564851      -1.12683585
O       -2.73903000      -1.01039000      -3.82666000      -0.22624099       0.00440597      -0.17230559
O       -0.70245000       2.98313000      -6.09455000      -0.94019423       0.66059394      -0.09926529
O       -2.38282000       1.79904000      -3.57750000      -0.10659574       0.10089150       1.19617021
O       -3.63676000       3.06930000      -8.42973000       0.87477973      -0.01160131       1.09767839
O       -3.52734000       0.99759000      -6.68474000       0.60519486      -2.18239159       0.17736816
O       -4.82318000      -2.63898000      -5.76012000       0.54701341       0.36988250       0.18912554
Zn      -2.15442000      -1.18406000      -2.02990000       0.36971149      -1.21523961       1.42818597
Zn      -1.31042000       0.35345000      -4.17118000       0.39509967      -0.56730166      -0.49072847
Zn      -0.53872000      -1.56302000      -6.39359000      -0.05457584      -0.60748327      -0.44015464
Zn      -2.99603000      -2.73522000      -4.71124000      -0.49093938       1.17231623      -0.27819150
Zn      -1.75336000       3.36203000      -7.95717000       0.20597246      -0.59318783      -0.42741640
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.89794392 magmom=-0.0005508 free_energy=-69.89794392 stress="0.0026236971226686868 -0.019814971244648434 0.01060252211239856 -0.019814971244648434 0.022751284438165733 0.015998968102031615 0.01060252211239856 0.015998968102031615 -0.0033196766642021396" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24569000       2.45988000      -6.98523000       1.69062798      -0.68685538       2.45847646
O       -0.44840000       0.02868000      -2.02400000       0.09140500      -0.03531927      -1.08112973
O       -0.00941000       0.02737000      -5.57458000      -0.62563611      -2.04675192       2.11723703
O       -2.70504000      -1.12484000      -3.75687000       0.41377045       0.71978460       0.11118598
O       -0.79936000       3.12737000      -6.13355000       0.02725992      -1.20801842      -0.94158702
O       -2.39051000       1.81960000      -3.49446000       0.82072246       0.37985635      -0.41855706
O       -3.51468000       3.20059000      -8.32641000      -1.40310306      -0.46629263      -0.75612781
O       -3.56122000       0.97157000      -6.63641000      -1.12324864       1.82590812      -0.71223841
O       -4.78573000      -2.51066000      -5.85590000      -0.49833071      -0.64023057      -0.10594601
Zn      -2.02683000      -1.31410000      -1.95792000      -0.35800687       2.10942972      -1.28240436
Zn      -1.32790000       0.28202000      -4.15055000      -0.15090159      -0.12402611      -0.54624278
Zn      -0.54607000      -1.58760000      -6.35232000       0.26820814       0.21498240      -0.53006131
Zn      -3.05217000      -2.72878000      -4.82662000      -0.99271068       0.36733241       1.47724274
Zn      -1.76158000       3.43790000      -7.98388000       1.83994370      -0.40979931       0.21015229
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.86916788 magmom=-0.0005587 free_energy=-69.86916788 stress="0.004046959252696144 -0.01027377018008226 0.0009128921811814271 -0.01027377018008226 0.025412148655414957 -0.003373044581877349 0.0009128921811814271 -0.003373044581877349 -0.01285227280355532" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26001000       2.57269000      -6.92570000      -0.11941893      -1.09958080      -1.36424019
O       -0.47183000       0.02010000      -2.13922000       0.21463729       0.49635048       0.08298154
O       -0.07404000      -0.17204000      -5.37898000       1.59279385       1.00066158      -1.27544841
O       -2.59747000      -1.13778000      -3.66921000      -0.78773839      -0.84142171      -0.54438850
O       -0.93911000       3.04641000      -6.35179000       0.63126084      -0.39204435       1.87671822
O       -3.29220000      -4.07385000      -3.53452000       0.01916771      -0.40477657      -0.70225352
O       -3.59216000       3.26357000      -8.32909000       0.29707913      -0.32688926      -0.08492650
O       -3.74440000       1.05148000      -6.67562000       0.15180465       0.63091860       0.09583661
O       -4.79914000      -2.39316000      -5.87082000      -0.46988957       0.67522848       1.47531377
Zn      -1.88328000      -1.39473000      -1.89607000      -1.19107243       0.02545644       0.71750832
Zn      -1.35864000       0.18154000      -4.15316000      -0.57312774       1.34859032       0.51385121
Zn      -0.54873000      -1.62639000      -6.33782000      -0.75265137      -1.32444473      -1.22430352
Zn      -3.17821000      -2.68567000      -4.89495000       1.05707782       0.51979923       1.31567379
Zn      -1.67754000       3.50731000      -8.01809000      -0.06992286      -0.30784770      -0.88232281
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.51172295 magmom=-5.03e-05 free_energy=-69.51172295 stress="0.02866858967587801 0.004885242655764011 -0.0012109285548251587 0.004885242655764011 0.03464368729977164 0.005016739082103576 -0.0012109285548251587 0.005016739082103576 0.028859660395563803" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27839000       2.69258000      -6.90683000      -0.11513764       1.41639668       0.17356095
O       -0.47029000       0.10166000      -2.27592000      -0.23751289       0.06416166       0.64255700
O        0.09949000      -0.29041000      -5.33309000      -0.49059315       0.30096372      -1.02646075
O       -2.59812000      -1.27770000      -3.66487000       0.13384447       0.48354563       0.25170886
O       -0.97163000       2.86843000      -6.29330000       0.48976795       0.81551386       0.05633995
O       -3.10972000      -4.05634000      -3.62942000      -1.27423168      -1.20091958       0.30182598
O       -3.63663000       3.27008000      -8.36309000       1.26324757       0.25325066       0.73912302
O       -3.87088000       1.16853000      -6.67572000       0.84699518      -0.55527718       0.55683617
O       -4.96909000      -2.22381000      -5.68717000      -0.60615203      -1.33233093      -1.31674144
Zn      -1.78582000      -1.46332000      -1.80872000      -1.38091010       0.11042787       0.05745090
Zn      -1.41422000       0.13187000      -4.14484000       0.86692169       0.39265682      -0.90309436
Zn      -0.58479000      -1.72732000      -6.38095000      -0.12117245      -0.15370918      -0.17069666
Zn      -3.27339000      -2.60684000      -4.89696000       0.93296807       0.21552005       0.41707475
Zn      -3.80780000       0.98987000      -3.25354000      -0.30803499      -0.81020010       0.22051564
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.26636156 magmom=-9.81e-05 free_energy=-69.26636156 stress="0.018791047047589025 -0.015188685831558978 -0.005532465650119166 -0.015188685831558978 0.029585454771104847 -0.009215363686075827 -0.005532465650119166 -0.009215363686075827 0.0192923149475032" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30730000       2.82660000      -6.90369000       0.77099153      -4.06634164      -0.71665685
O       -0.50342000       0.18987000      -2.27952000       0.26918856      -0.49912175      -0.15004528
O        0.19240000      -0.35816000      -5.49485000      -1.43294329      -0.79812512       0.92653180
O       -2.58539000      -1.32111000      -3.61538000       0.27351086       0.70719371       0.23519107
O       -0.91008000       2.85626000      -6.17389000      -0.50553387       0.30806511      -0.15512493
O       -2.13331000       1.78550000      -3.61676000       0.02225238       1.50514148      -0.53935113
O       -3.40542000       3.34083000      -8.26907000      -0.10350192       0.32499794       0.63438685
O       -3.83817000       1.24345000      -6.56148000      -0.38677796       2.45052146      -0.17855438
O       -5.19710000      -2.24417000      -5.65875000       1.15969972       0.66118324       1.10955494
Zn      -1.77039000      -1.50899000      -1.73232000      -1.01014938       1.50789386      -1.20606534
Zn      -1.42264000       0.10676000      -4.17967000       1.67070331      -0.77935395      -1.39226900
Zn      -0.62456000      -1.82955000      -6.43205000       0.56415123       0.91244702       0.51053485
Zn      -3.30893000      -2.52827000      -4.87330000       0.63843854      -0.76651492       0.17907557
Zn      -3.73666000       0.99613000      -3.31458000      -1.93002971      -1.46798645       0.74279183
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.33551683 magmom=-0.0002553 free_energy=-69.33551683 stress="-0.016186473940089593 -0.012350510663499504 0.005584124012203287 -0.012350510663499504 0.0020491765872608096 0.0027032595868471685 0.005584124012203287 0.0027032595868471685 0.01740237922463136" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30435000       2.83971000      -6.90377000      -0.65739860       2.83190743       2.59981988
O       -0.49933000       0.16355000      -2.31108000       0.14068037      -0.36792367      -0.30005866
O       -0.00159000      -0.48979000      -5.49962000       0.86262404       1.84169300      -0.11193461
O       -2.52607000      -1.20980000      -3.51724000      -0.88568246      -0.17802439      -0.62100637
O       -0.94670000       2.91441000      -6.10219000      -0.24112753      -0.38457684      -0.49775743
O       -2.23020000       1.86216000      -3.77802000       0.45635209      -0.86937385       0.51200431
O       -3.27849000       3.47872000      -8.06193000      -1.76126913       0.25227735      -0.97936324
O       -3.76718000       1.47760000      -6.42315000       1.15170970      -3.36981731       0.39501744
O       -5.19844000      -2.23433000      -5.54675000       0.27216213      -0.24468460      -1.30340866
Zn      -1.82157000      -1.48404000      -1.71156000      -1.12465766       0.31734303      -0.17073864
Zn      -1.33891000       0.05105000      -4.29251000       0.16090629       0.85375608       0.04102925
Zn      -0.63691000      -1.89159000      -6.46535000       0.29435134       0.17776795      -0.67304460
Zn      -3.31029000      -2.48395000      -4.83495000       0.38753585       0.10178058       0.49598336
Zn      -3.74133000       0.91916000      -3.33264000       0.94381357      -0.96212475       0.61345796
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.83114466 magmom=-0.0001073 free_energy=-69.83114466 stress="0.022049518143861312 -0.014847470622884277 0.004502062947590853 -0.014847470622884277 0.03856341134796317 -0.016577156079545262 0.004502062947590853 -0.016577156079545262 0.009851569280869138" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29639000       2.86830000      -6.73673000       1.91809987      -2.12866500      -2.04063975
O       -0.46343000       0.06063000      -2.39536000       0.45799638       0.14600148       0.98971781
O        0.00111000      -0.36530000      -5.61689000       0.89399775      -1.33718936      -0.66565902
O       -2.63692000      -1.08813000      -3.54786000      -0.26742820       0.29971149      -0.65949010
O       -1.03594000       2.91953000      -6.13896000       0.52481833       0.15674069      -0.19745910
O       -2.21300000       1.80697000      -3.84624000       0.23815167      -0.67561762       0.96428042
O       -3.47111000       3.70458000      -8.05101000      -0.37176447      -1.60829338       1.16680245
O       -3.58689000       1.41213000      -6.30279000      -1.18038115       1.94881337      -1.07813320
O       -5.11060000      -2.16735000      -5.53375000      -0.39386901       0.85719898       1.17051040
Zn      -1.94724000      -1.42095000      -1.71122000      -0.45346992       1.68823634      -1.23997317
Zn      -1.24966000       0.03561000      -4.40407000      -1.38775723       1.03834575       1.55518947
Zn      -0.62836000      -1.93786000      -6.53214000       0.49316973       0.79622121      -0.57861207
Zn      -3.28446000      -2.43421000      -4.76149000       0.47089848      -0.69047226       0.35730110
Zn      -3.72879000       0.76687000      -3.31373000      -0.94246223      -0.49103171       0.25616475
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.02130219 magmom=-0.0001256 free_energy=-70.02130219 stress="0.02553249281566349 -0.01359283805372577 -0.008507574616332838 -0.01359283805372577 0.017986600151243454 -0.0028841927225805144 -0.008507574616332838 -0.0028841927225805144 0.018654256248650414" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24688000       2.85943000      -6.63956000       0.08718120       0.72130987       0.22993647
O       -0.36229000      -0.01470000      -2.30390000      -0.68988150      -0.05694818       0.47150761
O        0.17839000      -0.43883000      -5.82713000      -1.03947899       1.00510015       1.26590352
O       -2.77128000      -0.95652000      -3.69065000       1.01948522      -0.73543823       0.13798901
O       -1.02452000       2.93529000      -6.19120000       0.16701298      -0.09168211       0.90897889
O       -2.15577000       1.64830000      -3.73201000       0.04695203       1.35473005      -0.19493362
O       -3.61264000       3.66467000      -7.96325000       1.24560834      -0.62814440      -0.29776900
O       -3.51086000       1.45154000      -6.34199000       0.03424970       0.14824508      -0.03167378
O       -5.10030000      -2.04871000      -5.41730000      -0.10884433      -1.39038493      -0.60707099
Zn      -2.08457000      -1.29242000      -1.76291000      -0.19251380       0.15864853      -0.38381497
Zn      -1.22712000       0.07196000      -4.43475000       0.92889220       0.07986206      -0.36378588
Zn      -2.83211000      -4.51475000      -1.78400000       0.63024100       0.67353805      -0.46476651
Zn      -3.24607000      -2.42652000      -4.68687000      -0.17206481      -2.10889410      -0.52722025
Zn      -3.76482000       0.61523000      -3.28632000      -1.95683922       0.87005815      -0.14328052
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.59375802 magmom=-0.0002306 free_energy=-70.59375802 stress="0.024217569796160146 -0.0003095570260863964 -0.009866087349412907 -0.0003095570260863964 0.01649723522167126 -0.0034098836726703034 -0.009866087349412907 -0.0034098836726703034 0.015510600671224076" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22746000       2.85926000      -6.58215000      -0.25242713      -0.10012786      -2.23256304
O       -0.37446000      -0.05504000      -2.13346000       0.28909601       0.46868926       0.04981517
O        0.11055000      -0.35882000      -5.74102000      -0.37728804       0.70700476      -0.32366626
O       -2.70000000      -0.95849000      -3.76772000       0.23043788       0.23553565       0.37581339
O       -0.97929000       2.94781000      -6.09214000       0.16126496       0.39704108      -0.33987437
O       -2.11362000       1.74177000      -3.68510000      -0.48301158      -0.50562937      -0.28689156
O       -3.46809000       3.54161000      -8.00175000      -0.96961087      -0.17341147       1.06396876
O       -3.44837000       1.48294000      -6.35823000       0.07847012      -0.59378818       0.55141629
O       -5.10763000      -2.13824000      -5.35549000       0.19401209      -0.17719229       0.16284725
Zn      -2.18799000      -1.18683000      -1.82301000       0.35527178      -1.18847958       0.35857143
Zn      -1.17673000       0.10779000      -4.46622000      -0.23397299       0.51782917       0.42583521
Zn      -2.77653000      -4.48116000      -1.86536000       0.43151543       0.95768751       0.54631209
Zn      -3.22313000      -2.51979000      -4.65491000       0.10322252      -1.06099649      -0.22202771
Zn      -3.87389000       0.54279000      -3.27236000       0.47301981       0.51583781      -0.12955664
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.520024 magmom=-0.0002855 free_energy=-70.520024 stress="0.013993232181109604 -0.00673004669398806 0.004441169286596546 -0.00673004669398806 0.01219598942234172 0.013586931632500328 0.004441169286596546 0.013586931632500328 -0.001958166926960566" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22938000       2.82100000      -6.60759000       1.20684881      -2.33401135       1.96508452
O       -0.36756000       0.00046000      -1.98345000      -0.31425156       0.10736753      -0.58004478
O        0.02435000      -0.16097000      -5.76450000       0.63395091      -1.42960445      -0.69995293
O       -2.59358000      -0.94828000      -3.76524000      -0.88019579      -0.48454127      -0.21638921
O       -0.90182000       3.04212000      -6.07094000      -0.09177854       0.37520085      -0.55254410
O       -2.17595000       1.71810000      -3.68060000      -0.26234516      -0.89053337       0.16113636
O       -3.51011000       3.48161000      -7.97222000      -0.41217973       0.62607968      -0.59097169
O       -3.39545000       1.41502000      -6.27924000      -1.21499808       1.17082635      -0.54089074
O       -5.07843000      -2.26548000      -5.29652000       0.05204315       0.12266561      -0.61484217
Zn      -2.25939000      -1.15145000      -1.85938000       0.45242513       0.01968082       0.06564148
Zn      -1.15752000       0.16811000      -4.46006000      -1.16631726       0.43331145       0.90869555
Zn      -2.70624000      -4.39976000      -1.90820000       0.14138728       1.06928708       1.11290621
Zn      -3.19943000      -2.65050000      -4.64371000       0.39988762       0.97383906      -0.27002720
Zn      -3.93428000       0.50749000      -3.26912000       1.45552324       0.24043201      -0.14780132
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00198834 magmom=-5.73e-05 free_energy=-70.00198834 stress="0.028121850865295065 -0.002067059596929053 -0.011638913436827502 -0.002067059596929053 -0.01804175936955477 -0.004220584005665701 -0.011638913436827502 -0.004220584005665701 0.01683843603118441" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20903000       2.68481000      -6.55792000      -1.21239209       3.40299666      -1.46478243
O       -0.39498000       0.08905000      -1.94185000       0.16354816      -0.60819781      -0.36477020
O        0.05699000      -0.19314000      -5.90418000      -0.17661292       1.95708715       2.50731588
O       -2.66234000      -1.04243000      -3.80927000      -0.16690239      -0.27984772      -0.12943859
O       -0.85413000       3.20938000      -6.16512000      -0.74220008      -0.99427572       0.38426233
O       -2.31492000       1.54062000      -3.66663000       0.58161528       1.82810761      -0.30878165
O       -3.69722000       3.54256000      -8.03350000       0.97966340      -1.62178970       1.64170940
O       -3.46052000       1.32760000      -6.25516000       0.70973118      -1.88663228      -0.20598134
O       -5.00541000      -2.35196000      -5.29768000      -0.04460044      -0.11490963      -0.42788449
Zn      -2.31158000      -1.11365000      -1.89171000       0.58715751       0.44240729       0.32677668
Zn      -1.19676000       0.25612000      -4.40759000       0.78278664      -1.46392898      -1.16388506
Zn      -2.61632000      -4.24847000      -1.89614000      -0.77015317      -1.65437455      -0.51362129
Zn      -3.14830000      -2.75386000      -4.64631000       0.44802017       0.61521738      -0.26394880
Zn      -3.91836000       0.48141000      -3.27442000      -1.13966125       0.37814031      -0.01697043
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.93287718 magmom=-0.0008055 free_energy=-69.93287718 stress="0.018016720157598247 -0.001815512217715167 0.011059527401637143 -0.001815512217715167 0.02259378926146418 0.009766724552619312 0.011059527401637143 0.009766724552619312 -0.005178292456831236" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23352000       2.60532000      -6.53615000       0.37140372      -2.32116136      -0.62619227
O       -0.43069000       0.08805000      -1.99829000      -0.26825818       0.15079467      -0.10424906
O        0.05407000       0.01852000      -5.58272000       1.06006966      -1.08959701      -2.01064393
O       -2.79901000      -1.17080000      -3.85630000       0.72602666       1.76114381       1.09172911
O       -0.93746000       3.22306000      -6.22372000       0.52008294      -0.06703818       0.03415022
O       -2.36101000       1.64804000      -3.69226000       0.55989926      -1.04924241       1.29174681
O       -3.64447000       3.35850000      -7.91965000       0.72924570      -0.22520137      -0.28334254
O       -3.53740000       1.06451000      -6.33315000      -1.13165792       2.44176744      -0.18299675
O       -4.92709000      -2.43167000      -5.34794000      -0.43413808       0.08515447       0.31775386
Zn      -2.34182000      -1.03530000      -1.91930000       0.69352296      -0.40445532       0.20152601
Zn      -1.22039000       0.29146000      -4.39650000      -1.76392003      -0.72517304       1.18013466
Zn      -2.54212000      -4.12140000      -1.88654000      -0.94089897      -0.34025276       0.58926864
Zn      -3.05673000      -2.84206000      -4.67535000       0.14861133       1.57191426      -1.15825890
Zn      -3.94949000       0.47121000      -3.28500000      -0.26998905       0.21134681      -0.34062585
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.54219437 magmom=-0.0001177 free_energy=-69.54219437 stress="-0.007222557001376013 0.022236093254319942 0.007051082816549361 0.022236093254319942 0.019004311057039737 0.019455218148443476 0.007051082816549361 0.019455218148443476 -0.001770833329588428" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29918000       2.46999000      -6.54897000       0.59938310       2.27793989      -0.74943135
O       -0.48498000       0.09737000      -2.09017000       0.49092241       0.19988774       0.06593287
O        0.21283000       0.13427000      -5.50581000      -1.20192047      -1.07224695      -0.96254172
O       -2.80115000      -1.00958000      -3.75248000       0.53196420      -0.76455965      -1.39964075
O       -0.94190000       3.21901000      -6.25029000       0.64546359       0.74812894       0.34888809
O       -2.27742000       1.68536000      -3.50969000       0.05760219       0.96406292      -0.68773422
O       -3.43181000       3.10544000      -7.89093000      -4.42331226       0.10617862       0.83886159
O       -3.75649000       0.97352000      -6.41966000       0.04562523      -0.84371788       0.81960606
O       -4.92140000      -2.53167000      -5.33928000      -0.61300756      -1.25122021      -0.70550656
Zn      -2.32977000      -0.97193000      -1.92838000       1.21467591      -1.29083800       1.46412900
Zn      -1.31479000       0.27391000      -4.34517000       0.73245169      -0.99217399      -0.37328164
Zn      -2.51380000      -4.01732000      -1.85246000      -0.43388975       0.03187927       1.10352689
Zn      -2.95261000      -2.85711000      -4.75818000      -0.96138873       1.28796721       0.81770751
Zn      -3.99160000       0.47444000      -3.31620000       3.31543044       0.59871210      -0.58051578
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.85002328 magmom=-0.0001128 free_energy=-69.85002328 stress="0.01525251343874809 -0.006160211946590402 0.007661215649165464 -0.006160211946590402 0.005086370512591117 0.009500390339237186 0.007661215649165464 0.009500390339237186 -0.00961965597919178" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36434000       2.39022000      -6.57751000      -0.64454577      -1.62197943       0.11244811
O       -0.50129000       0.15131000      -2.16378000      -0.54565726      -0.21429899       0.30444411
O        0.19949000       0.04153000      -5.66002000      -0.74576098       1.59312178       1.84281388
O       -2.71887000      -0.98728000      -3.85386000      -0.77880424      -0.88654490       0.44897617
O       -1.87549000      -2.67024000      -6.30666000      -0.03815860      -0.43476861      -0.43016195
O       -3.24965000      -4.16512000      -3.54453000      -0.10390517      -0.25841976      -1.31482102
O       -3.69805000       2.98632000      -7.95280000       2.36140508       0.63850039      -1.24233155
O       -3.95898000       0.80759000      -6.34684000      -0.14684805       0.79748060       0.11337354
O       -4.99471000      -2.75779000      -5.33899000       0.42263233       0.55092720       0.66280571
Zn      -2.25857000      -0.97335000      -1.87183000       0.59265388      -0.12423272       0.38030433
Zn      -1.37864000       0.21792000      -4.30372000       2.19806765       0.63795252      -0.87111637
Zn      -2.51705000      -3.93345000      -1.77172000      -0.95718714      -2.32112887      -1.02831136
Zn      -2.90740000      -2.79604000      -4.79983000      -1.05050778       0.84062734       0.70688318
Zn      -3.92374000       0.51226000      -3.36537000      -0.56338395       0.80276345       0.31469322
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.94078076 magmom=-0.0002452 free_energy=-69.94078076 stress="0.012228879940974859 0.006322652795259163 0.017164179762071834 0.006322652795259163 0.015897693162743722 0.009840237078311512 0.017164179762071834 0.009840237078311512 0.02773002511284679" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.42458000       2.30618000      -6.62873000       1.61394602      -0.28546533       0.35950663
O       -0.57147000       0.15307000      -2.17015000       0.68421217      -0.10020948       0.06842059
O        0.00543000       0.15333000      -5.50332000       0.95870136      -1.21144652      -1.14747324
O       -2.75056000      -1.08037000      -3.86680000       0.19493870       1.44054169       1.39264175
O       -1.78544000      -2.64517000      -6.35505000      -1.23682899      -0.53811541       0.21195994
O       -2.12689000       1.88315000      -3.64821000      -0.17852345      -1.39337502       0.85664314
O       -3.64314000       2.93397000      -8.07462000       0.57032605      -0.79194098       1.87482994
O       -4.16126000       0.69923000      -6.23852000      -0.23829705       1.65359125      -0.88040825
O       -5.02042000      -2.90673000      -5.29843000      -0.35684629      -0.02500797      -1.51568877
Zn      -2.16607000      -0.98227000      -1.80135000      -0.22498504       0.33874189      -0.52368587
Zn      -1.33515000       0.19088000      -4.30655000      -0.67410698       0.27104238       0.92615728
Zn      -2.56283000      -3.95585000      -1.74008000      -0.34335006      -0.25808721      -0.77804788
Zn      -2.92206000      -2.69050000      -4.81392000      -0.49901692       0.54667989      -0.98561727
Zn      -3.87303000       0.58648000      -3.39543000      -0.27016953       0.35305082       0.14076201
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.36502973 magmom=-0.0004166 free_energy=-70.36502973 stress="-0.009858532583076375 0.013106811557089476 0.011969498700102365 0.013106811557089476 -0.010991526047363481 0.004821423643132966 0.011969498700102365 0.004821423643132966 -0.008923731943398985" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.41189000       2.23925000      -6.68246000       0.01461585       1.11190672       0.51617877
O       -0.54566000       0.14358000      -2.16454000       0.00694159       0.58728275      -0.46530399
O        0.03513000       0.07801000      -5.54656000       0.11231687      -1.16558272      -0.28049439
O       -2.77175000      -0.97523000      -3.62859000       0.15107340      -1.30266557      -1.05205449
O       -0.86586000       3.28261000      -6.28828000       0.30575429       0.31295511       0.14282526
O       -2.13280000       1.72935000      -3.67924000      -0.54391026       2.31107402       0.02673590
O       -3.41009000       2.74918000      -7.89317000       0.27239604       0.09228501      -1.07763958
O       -4.35087000       0.70958000      -6.28269000       0.46147866      -2.12587430       0.03313444
O       -5.04842000      -2.96272000      -5.42230000       0.64844886       1.01133052       1.19246294
Zn      -2.08593000      -0.97551000      -1.75532000      -0.61046967      -0.15247541       0.09358238
Zn      -1.31066000       0.17576000      -4.26606000       0.79197744      -0.68515688      -0.33152319
Zn      -2.63569000      -4.01719000      -1.76346000      -0.36694545      -0.24453267      -0.66774818
Zn      -2.97230000      -2.55474000      -4.86043000      -1.16873335      -0.10474244       1.56841791
Zn      -3.84003000       0.68209000      -3.41299000      -0.07494425       0.35419587       0.30142622
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.20196862 magmom=0.0003192 free_energy=-70.20196862 stress="0.017161337260227234 -0.0007558245353719744 -0.01136571117290891 -0.0007558245353719744 0.04372287915112735 -0.0018078534865611242 -0.01136571117290891 -0.0018078534865611242 0.011738197303496692" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36449000       2.20584000      -6.67524000       0.88818236      -1.39515056       0.69052869
O       -0.49162000       0.23494000      -2.25656000       0.49854397      -0.18600478      -0.29170180
O        0.16934000      -0.15206000      -5.68071000      -0.72526852       1.60897464       1.50586311
O       -2.74669000      -1.04543000      -3.57705000       0.48983033       0.68850153      -0.68807701
O       -0.94871000       3.24510000      -6.26364000       0.88788652      -0.05913034       0.02715953
O       -2.21976000       1.92087000      -3.70332000       0.22297746      -0.97379365      -0.10340146
O       -3.19144000       2.55006000      -7.84717000      -1.95750345      -0.39412474       0.24557768
O       -4.46199000       0.53344000      -6.37154000       0.53376146       2.78276467      -0.07456923
O       -4.99232000      -2.87687000      -5.42092000      -0.58126040      -0.85991688      -0.71247710
Zn      -2.04362000      -0.98310000      -1.70585000      -0.69948530      -0.84792319       0.35349022
Zn      -1.27307000       0.13827000      -4.22623000       0.82006436       0.23751988      -0.88354383
Zn      -2.72991000      -4.09354000      -1.82828000      -0.41482959      -0.28982775      -0.77144121
Zn      -3.08053000      -2.43036000      -4.83459000      -0.54519053      -0.30527089       0.53208361
Zn      -3.80585000       0.78996000      -3.41632000       0.58229134      -0.00661795       0.17050881
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.10411821 magmom=-0.000262 free_energy=-70.10411821 stress="0.0054597904291177135 -0.01173046509105571 -0.0009888710017556636 -0.01173046509105571 0.006810042780771552 0.009102976863260942 -0.0009888710017556636 0.009102976863260942 -0.0017940844552860426" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30791000       2.15875000      -6.64885000      -0.91340212       2.38436816      -1.47476671
O       -0.34772000       0.28568000      -2.39285000      -0.36629324      -0.36334023       0.49361382
O        0.12050000      -0.10557000      -5.54612000      -0.22394489      -0.35189044      -1.19121548
O       -2.62619000      -0.97864000      -3.66430000      -0.32946531       0.51531758       0.51643554
O       -0.87526000       3.19732000      -6.22358000      -0.72574507      -0.21252636       0.58557483
O       -2.25487000       1.95418000      -3.74932000       0.68204922      -0.45121299      -0.00941972
O       -3.23933000       2.35473000      -7.87409000       1.16902075       0.88275637      -0.92989118
O       -4.45576000       0.61380000      -6.40028000      -0.04319403      -2.40006093       1.20315622
O       -5.00016000      -2.89478000      -5.43941000       0.05766349       0.20247971       0.67939198
Zn      -2.04318000      -1.02995000      -1.64630000      -0.47605383      -0.20916419      -0.43836352
Zn      -1.19006000       0.11343000      -4.23690000       0.39150606       0.56179288      -0.31145374
Zn      -2.82131000      -4.16345000      -1.91880000       1.55466825       1.73844481       0.79856249
Zn      -3.21303000      -2.34145000      -4.78383000       0.24439622      -0.76656219      -0.41363169
Zn      -3.76040000       0.87602000      -3.40506000      -1.02120551      -1.53040220       0.49200717
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.85744757 magmom=-0.0002714 free_energy=-69.85744757 stress="0.013685895253577777 -0.0034451772784225613 -0.009295259078592593 -0.0034451772784225613 0.04195915264724852 0.0050979138591609645 -0.009295259078592593 0.0050979138591609645 0.022278037805955234" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27619000       2.17113000      -6.70403000       1.23678600      -1.89395105       0.67161874
O       -0.26819000       0.26096000      -2.43632000      -0.65879903      -0.13644163       0.34798841
O        0.03919000      -0.13515000      -5.67073000       0.53878148      -1.40303384      -0.65760167
O       -2.58354000      -0.81241000      -3.63800000      -0.91722791      -1.49708532      -0.01952979
O       -0.89974000       3.12653000      -6.06066000       0.36401799       0.77892109      -0.41056124
O       -2.14367000       1.86702000      -3.79597000      -0.15594739       0.46047325       0.13640459
O       -3.15790000       2.32768000      -8.01488000      -0.86609128       0.49989872       1.42513488
O       -4.41529000       0.54372000      -6.22619000       0.31338746       2.50288938      -0.75398293
O       -5.03680000      -2.91468000      -5.38466000      -0.35170394      -0.39993182      -1.17915823
Zn      -2.07763000      -1.09046000      -1.61080000      -0.63384313       1.57613263      -1.32784330
Zn      -1.07825000       0.12263000      -4.26490000      -0.45280173       0.49354685       0.16970818
Zn      -2.84463000      -4.14734000      -1.97454000       0.51147483       0.42269090       0.97323171
Zn      -3.34157000      -2.28342000      -4.74626000       1.37346464      -0.12550440       0.48247543
Zn      -3.76320000       0.88324000      -3.36581000      -0.30149798      -1.27860478       0.14211522
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.080352 magmom=-0.000355 free_energy=-69.080352 stress="0.02321288845884525 -0.02190434560359302 -0.021487495156938444 -0.02190434560359302 0.00040820200563995154 -0.013333606359411932 -0.021487495156938444 -0.013333606359411932 0.005754179002684896" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.19583000       2.14073000      -6.76336000      -3.40731618       0.46912354       2.56372049
O       -0.31094000       0.14632000      -2.40227000       0.14286127      -0.79135613      -0.36941109
O        0.14355000      -0.30404000      -5.93225000       0.80251742       2.84275734       3.21999409
O       -2.74391000      -0.90937000      -3.59600000       0.96098404       0.69117133       0.07380576
O       -1.93984000      -2.80795000      -6.00310000       0.26016591       0.18091424      -1.19562583
O       -2.02981000       1.83262000      -3.83960000      -1.30637125      -0.26470021      -0.06059482
O       -3.15201000       2.43272000      -7.98013000       0.46041478      -0.01025442      -1.31587413
O       -4.28645000       0.69786000      -6.05098000       0.49966114      -1.38820212      -0.80205357
O       -5.10370000      -2.94965000      -5.48756000       1.11752710       1.56308767       0.58912348
Zn      -2.16972000      -1.09077000      -1.63996000      -0.34607687       1.09304943      -0.69853888
Zn      -0.94850000       0.16737000      -4.29535000      -0.63529900      -0.41742658      -0.28721722
Zn      -2.84962000      -4.12076000      -2.01468000      -0.90948062      -2.28698806      -0.82101877
Zn      -3.44201000      -2.22216000      -4.66984000       0.75691642      -1.56943535      -0.65387898
Zn      -3.78549000       0.80401000      -3.29698000       1.60349583      -0.11174069      -0.24243054
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.21407922 magmom=-0.0002062 free_energy=-69.21407922 stress="0.01140094200156238 -0.006550328536662667 -0.014557190191899223 -0.006550328536662667 0.028058679178299992 0.0028279473194020533 -0.014557190191899223 0.0028279473194020533 0.007405122703685379" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25100000       2.14746000      -6.69539000       1.25757922      -0.08306862       0.15007646
O       -0.35988000      -0.15867000      -2.41844000      -0.08419743       0.21698014       0.19505496
O        0.37940000      -0.07388000      -5.66370000      -0.60227978      -0.84651385      -1.54967312
O       -2.74257000      -0.94272000      -3.55055000       0.65966171      -0.26659348      -1.05600648
O       -1.86506000      -2.66899000      -6.09064000      -1.31317428      -0.76774713       0.49104499
O       -2.16250000       1.75010000      -3.89640000       0.21096198       0.35782075       0.08292241
O       -3.22352000       2.53110000      -8.03892000      -1.57643830      -0.67240016       1.34127151
O       -4.03530000       0.64839000      -6.03094000       0.03326800       1.19177276      -0.89842738
O       -4.99682000      -2.72302000      -5.56852000      -1.13388556      -0.47152124      -0.92431305
Zn      -0.06888000       1.55392000      -6.55709000       0.77247602      -0.30504717       0.91608984
Zn      -0.82728000       0.20536000      -4.34472000      -1.67259579       0.01656287       1.12631235
Zn      -2.87475000      -4.17471000      -2.08426000       2.26026879       2.15426888       1.10366210
Zn      -3.51347000      -2.22759000      -4.60376000       1.49462496      -0.95871597      -0.34365672
Zn      -3.73080000       0.69391000      -3.22589000      -0.30626953       0.43420221      -0.63435788
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.08930538 magmom=-0.0001092 free_energy=-69.08930538 stress="0.029563177726528965 -0.008186959708256406 -0.006041870237231713 -0.008186959708256406 0.034553702744930234 0.006011700542222768 -0.006041870237231713 0.006011700542222768 -0.000614958617676017" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29234000       2.16755000      -6.62671000       0.19491742      -1.65808510       0.12963552
O       -0.41012000      -0.37124000      -2.39990000      -0.07719295       0.81611230       0.33227168
O        0.44160000      -0.02541000      -5.68540000      -1.40466576      -0.74941453      -1.19321748
O       -2.61405000      -0.97761000      -3.67894000       0.02004296       0.41822550      -0.06692700
O       -1.99640000      -2.66180000      -6.12898000       0.15623812      -0.05935869      -0.37519218
O       -2.24495000       1.74975000      -3.91764000       0.79710800       0.40830666       0.72931625
O       -3.44913000       2.52324000      -7.96791000       1.60555954       0.56231785      -1.45022859
O       -3.76716000       0.66953000      -6.13103000      -0.64467317       1.52767608       0.08207817
O       -5.04161000      -2.53757000      -5.70517000      -0.49308450      -0.19792567       0.78324322
Zn      -0.14472000       1.60309000      -6.58456000       1.11013232      -0.80871382       0.80019644
Zn      -0.80615000       0.23170000      -4.33481000      -1.29415718      -0.46578234       0.80334933
Zn      -2.80164000      -4.13210000      -2.08496000       0.90738424       1.30823820       1.33926692
Zn      -3.51165000      -2.28871000      -4.57870000       0.57975184      -1.07484089      -1.08612307
Zn      -3.69968000       0.61932000      -3.19999000      -1.45736088      -0.02675555      -0.82766921
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.61088116 magmom=-0.0001535 free_energy=-69.61088116 stress="0.044848499152435016 -0.007222507131718096 -0.02949717891676778 -0.007222507131718096 0.013072649143726665 0.0029655207848605257 -0.02949717891676778 0.0029655207848605257 0.01657483990544072" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29917000       2.17226000      -6.62433000       0.58683519       2.97531923      -2.23549291
O       -0.44521000      -0.38707000      -2.30387000       0.48778051       0.37097758       0.06925818
O        0.22246000      -0.13534000      -5.93649000       0.13608462       1.96894797       2.63642975
O       -2.50547000      -0.94221000      -3.83551000      -0.73505592       0.10454061       0.49591862
O       -2.09192000      -2.69396000      -6.22136000       0.81728539      -0.13471274      -0.08922160
O       -2.15451000       1.81393000      -3.78771000       0.18299696      -0.51441189       0.18689431
O       -3.41515000       2.59006000      -8.05353000      -0.59640484      -0.09409370       0.89471369
O       -3.63509000       0.81643000      -6.13320000       0.05208485      -1.01711481       1.00780060
O       -5.19010000      -2.47252000      -5.68332000       0.32807560      -1.33544939       0.22243848
Zn      -0.15104000       1.60630000      -6.56435000       0.56727956      -0.01132057      -0.26157385
Zn      -0.86547000       0.22953000      -4.28076000      -0.71172572      -0.67846090      -0.23410250
Zn      -2.68789000      -4.02477000      -2.01926000      -1.51484870      -1.83595300      -0.68963635
Zn      -3.47180000      -2.39287000      -4.61251000       0.70136916      -0.06155513      -1.04470940
Zn      -3.74961000       0.55743000      -3.22483000      -0.30175665       0.26328674      -0.95871702
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.93998635 magmom=-0.0001302 free_energy=-69.93998635 stress="0.016988310368933827 -0.003989435082886463 0.007172924127591913 -0.003989435082886463 0.008660788111532529 0.0028184359710262475 0.007172924127591913 0.0028184359710262475 -0.013068935564385438" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25907000       2.27610000      -6.71729000       0.21862877      -2.05565684       3.43086781
O       -0.41004000      -0.30843000      -2.21412000      -0.19979177       0.02222860      -0.73230547
O       -0.00534000       0.05559000      -5.69584000       1.44270035      -2.07533026      -1.15966545
O       -2.56227000      -0.90310000      -3.86530000      -0.88244288      -1.10924910       0.50881874
O       -0.96245000       3.27470000      -6.25336000      -0.12947353       0.70686488       0.71527626
O       -2.02468000       1.79761000      -3.65089000      -0.41690590       0.28261321      -1.31507277
O       -3.42345000       2.68298000      -8.07132000       0.17158435       0.56976126      -1.20499668
O       -3.57621000       0.91480000      -5.99295000      -1.10968795       1.35926307      -1.27558185
O       -5.25945000      -2.60244000      -5.55925000       0.89290019       0.56857775       0.00012673
Zn      -0.12274000       1.61213000      -6.56006000       0.49687007       0.79804925      -1.00683124
Zn      -0.96733000       0.19376000      -4.23201000      -1.71313029      -0.07798927       1.78710769
Zn      -2.64165000      -3.99902000      -1.97011000      -0.52619872       0.14790788       1.56980010
Zn      -3.39330000      -2.50365000      -4.70299000       0.99467361       0.19188358      -0.52155302
Zn      -3.81482000       0.51269000      -3.30469000       0.76027371       0.67107600      -0.79599083
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.52755224 magmom=-0.0001893 free_energy=-70.52755224 stress="0.01899343376063324 0.013630992648672659 -0.0033695900750969196 0.013630992648672659 -0.0011490315712388655 0.0030432484076352343 -0.0033695900750969196 0.0030432484076352343 0.02753304701074315" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22566000       2.33866000      -6.68026000      -0.73246744       1.82574633      -0.64650097
O       -0.39199000      -0.23332000      -2.25434000       0.16369704       0.00479381       0.17975572
O        0.08661000       0.02595000      -5.58936000      -0.33886228      -0.45738294      -0.44901124
O       -2.76296000      -1.05234000      -3.78170000       0.59787328       0.28513037       0.50520854
O       -1.97146000      -2.65234000      -6.30197000       0.08552911      -0.09103782      -0.40187406
O       -1.99409000       1.81375000      -3.71818000      -0.56126339      -0.22088409       0.68806050
O       -3.47562000       2.83153000      -8.17116000      -0.49643452      -0.24490291       1.62235768
O       -3.63681000       1.02545000      -6.00754000       0.50168103      -1.84385443      -0.16748694
O       -5.14857000      -2.61552000      -5.45587000       0.00595774       0.55603687      -0.80369961
Zn      -2.31082000      -0.93392000      -1.75726000       0.19848256      -0.79430099       0.42229624
Zn      -1.13232000       0.14951000      -4.12185000       0.35676570      -0.61323521      -0.96143440
Zn      -2.64545000      -4.00151000      -1.88381000      -0.59502075       0.34434301       0.24000381
Zn      -3.27657000      -2.58875000      -4.81007000       0.50814269       0.35189890      -0.16280733
Zn      -3.83784000       0.50915000      -3.41278000       0.30591921       0.89764908      -0.06486794
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.40277692 magmom=-0.0002225 free_energy=-70.40277692 stress="0.014818110052152373 -0.0035992870418497126 0.0005087878885618551 -0.0035992870418497126 0.02384202101945938 -0.0016000980270951162 0.0005087878885618551 -0.0016000980270951162 0.010573724862831304" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23422000       2.41899000      -6.64130000      -0.07519293      -1.49298131       1.10215666
O       -0.37207000      -0.16804000      -2.26321000      -0.43172330       0.12623261       0.48692330
O        0.17249000      -0.06737000      -5.62714000      -0.77343758       1.31418541       1.21754824
O       -2.83262000      -1.13891000      -3.63065000       0.33146399       0.28824600      -0.66112728
O       -1.92192000      -2.61085000      -6.34693000      -0.21291118      -0.96374013      -0.13665185
O       -2.08171000       1.79138000      -3.68028000      -0.34299707      -0.07066777      -0.03861711
O       -3.54836000       2.93970000      -8.04486000       1.26982555       0.33465848      -0.66159068
O       -3.66051000       0.93679000      -6.11664000      -0.41978516       1.28668826      -0.33714597
O       -5.03573000      -2.48681000      -5.48752000      -0.34294270      -0.15096670      -0.35303084
Zn      -2.25968000      -0.94976000      -1.76441000       0.04711783      -1.09958032       1.28493328
Zn      -1.26073000       0.08710000      -4.06269000       1.40338445      -0.33972269      -1.88543243
Zn      -2.68184000      -3.99289000      -1.80551000      -0.52865476      -0.23506323      -0.90721609
Zn      -3.15824000      -2.63821000      -4.89801000       0.17716143       0.33303186       0.82638278
Zn      -3.83923000       0.55145000      -3.50641000      -0.10130857       0.66967952       0.06286798
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.52228448 magmom=-2.5e-05 free_energy=-70.52228448 stress="0.009666718643208403 0.005174878107920522 0.008769154235308139 0.005174878107920522 0.028470853211691054 0.007487272616679541 0.008769154235308139 0.007487272616679541 0.010654952617818151" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25661000       2.46080000      -6.59576000       0.74809722       0.56988611      -1.84883068
O       -0.42468000      -0.07235000      -2.16283000       0.05413175       0.30530457       0.06006579
O        0.05264000       0.04676000      -5.43237000      -0.32577551      -1.31430233      -0.67294144
O       -2.81085000      -1.15187000      -3.62156000       0.23869789      -0.03649445      -0.60728999
O       -0.84604000       3.24432000      -6.34136000       0.00004218       0.21774661       0.50172877
O       -2.23265000       1.75665000      -3.65256000       0.62378037       0.59636115      -0.53799506
O       -3.41891000       3.06731000      -7.95376000      -1.01630006      -0.61158206       0.31865694
O       -3.71371000       0.95452000      -6.24849000      -0.08795079       0.50862058       0.67874863
O       -4.98859000      -2.37418000      -5.54924000      -0.12610778      -0.61708558       0.69530785
Zn      -2.20813000      -1.02499000      -1.70398000      -0.08564237      -0.35073373       0.13896576
Zn      -1.30407000       0.00890000      -4.11104000       0.53160113       0.33688295      -0.29203616
Zn      -2.74553000      -3.98920000      -1.77362000      -0.17290056       0.29736931      -0.24690254
Zn      -3.03911000      -2.66529000      -4.93512000      -0.60986674       0.16994712       1.39777167
Zn      -3.84436000       0.62944000      -3.58955000       0.22819327      -0.07192025       0.41475046
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.1381451 magmom=-0.0001891 free_energy=-70.1381451 stress="-0.0035972352143811785 -0.006677445814093857 0.026125980361078556 -0.006677445814093857 0.011584746056731376 0.012290791935390599 0.026125980361078556 0.012290791935390599 0.0038326939616269303" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26503000       2.55293000      -6.63285000      -0.35580273       1.08452603       1.60729481
O       -0.48285000       0.11649000      -2.02437000       0.36902809      -0.11387906      -0.63839755
O       -0.07915000      -0.06624000      -5.42069000       1.59677983      -0.58558286      -1.16213213
O       -2.74002000      -1.15944000      -3.74022000      -0.63866458       0.02254414       1.03158338
O       -0.83137000       3.09173000      -6.32774000       0.24973552       0.74986097      -0.30078697
O       -2.27706000       1.83198000      -3.72266000       0.69087260      -0.67225550       0.79220437
O       -3.37720000       3.13043000      -7.90189000      -0.29547411       0.09275813      -1.29464114
O       -3.78135000       1.05235000      -6.23545000      -0.02861345      -0.24679161       0.45659421
O       -4.96228000      -2.38626000      -5.46816000      -0.22439750      -0.96898346      -0.51075243
Zn      -2.14664000      -1.14185000      -1.61512000       0.07016437       0.99361676      -0.99656371
Zn      -1.33923000      -0.06754000      -4.17534000      -0.27543811       1.27324400       1.40693617
Zn      -0.60015000      -1.40383000      -6.59766000      -0.43387725      -1.50357849      -1.35356963
Zn      -2.93337000      -2.68500000      -4.89487000      -1.02127649       0.35752192       0.48188177
Zn      -3.84051000       0.72290000      -3.66702000       0.29696380      -0.48300096       0.48034885
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.72279155 magmom=-9.63e-05 free_energy=-69.72279155 stress="0.01230093681566721 -0.01989463832276138 -0.00686420257743409 -0.01989463832276138 0.0038613548154952586 -0.015170743983184205 -0.00686420257743409 -0.015170743983184205 0.024481959835623138" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28805000       2.71166000      -6.62622000       1.00491552      -2.46679904      -0.25796037
O       -0.46365000       0.32398000      -2.00226000       0.20655860      -0.71738013      -0.66835054
O        0.11971000      -0.30906000      -5.60729000      -0.56627998       0.83038878       1.74854437
O       -2.78720000      -1.16920000      -3.67176000      -0.09453083       0.14974807       0.57100308
O       -0.78339000       3.04967000      -6.33114000      -1.11257356      -0.78560848       0.71616963
O       -2.16161000       1.78628000      -3.67383000       0.15562323      -0.64938535      -0.72186920
O       -3.44671000       3.20035000      -8.07042000      -0.42675565      -0.19316332       1.12078330
O       -3.88852000       1.14095000      -6.10176000      -0.44445991       1.04658011      -0.74229261
O       -4.94674000      -2.50454000      -5.35358000       0.41432127       1.48376135       0.35474366
Zn      -2.06744000      -1.23176000      -1.55868000      -0.36291616       1.39766634      -0.84073338
Zn      -1.38521000      -0.08953000      -4.18704000       2.04000425       0.96941633      -0.55281497
Zn      -0.74971000      -1.48060000      -6.66816000       0.60706831      -0.47589757      -0.55054546
Zn      -2.85936000      -2.68912000      -4.81082000      -0.55482758       0.12158060      -0.36349385
Zn      -3.82223000       0.81212000      -3.73773000      -0.86614752      -0.71090770       0.18681633
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.29847242 magmom=0.0001551 free_energy=-69.29847242 stress="0.030493158679100858 0.010731825665646363 0.008573189460935616 0.010731825665646363 0.01483661646375211 -0.008223293704923348 0.008573189460935616 -0.008223293704923348 0.02905149313485726" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26472000       2.79197000      -6.59616000      -0.26969638       0.53780416       1.40040070
O       -0.41586000       0.38246000      -2.12338000      -0.20485125      -0.52563372       0.31346085
O        0.18478000      -0.39020000      -5.47176000      -1.71038355       0.28501080      -0.72911256
O       -2.85522000      -1.15714000      -3.48546000       1.04773967       0.02821827      -0.79836896
O       -0.91342000       2.90119000      -6.21919000       0.46939230       0.44663429      -0.47311377
O       -2.03533000       1.61248000      -3.75660000      -1.28945169       1.16134700      -0.35656644
O       -3.56950000       3.23933000      -8.07451000       1.48312914       0.18894838       0.11597328
O       -4.02998000       1.26768000      -6.06735000       0.51682762      -1.35018655       0.00815437
O       -4.86818000      -2.39201000      -5.26919000      -0.28827167       0.21584745      -1.52508386
Zn      -2.00502000      -1.25120000      -1.54892000      -0.55642254      -0.01764037      -0.37905259
Zn      -1.32312000      -0.06532000      -4.22266000       1.43893878      -1.22088447      -0.26255855
Zn      -0.86903000      -1.59671000      -6.76644000       1.62482218       0.46618693       1.48957174
Zn      -2.82420000      -2.67746000      -4.73443000      -1.09691730       0.92556592       1.04969354
Zn      -3.84575000       0.86131000      -3.79820000      -1.16485529      -1.14121807       0.14660225
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.65155776 magmom=-0.0002006 free_energy=-69.65155776 stress="0.01824068725669424 0.0071901066838985055 0.012160624738283537 0.0071901066838985055 0.0382778910912941 -0.014598241290227671 0.012160624738283537 -0.014598241290227671 0.014912468506792982" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24817000       2.85078000      -6.51978000       0.04938538      -2.31353375      -1.84177430
O       -0.40666000       0.33321000      -2.18580000       0.14047058       0.24171488       0.51815146
O       -0.04880000      -0.41825000      -5.53311000       1.41403223      -0.09626307      -2.56661000
O       -2.69853000      -1.13148000      -3.46258000       0.52715672       0.15408045      -0.54383760
O       -0.97971000       2.82945000      -6.16051000       0.70783149       0.89929233       0.02618053
O       -2.17566000       1.62765000      -3.91723000      -0.48466544      -0.19878687       1.31141794
O       -3.42705000       3.29805000      -7.97847000      -0.70189294      -0.47676901       0.95530429
O       -4.07772000       1.21312000      -6.04876000       0.31043104       1.77129384       0.13474640
O       -4.82208000      -2.14922000      -5.41239000      -0.39163911       0.09881478       0.38084563
Zn      -1.97700000      -1.26205000      -1.56461000      -0.85296644       0.12135730      -0.31677563
Zn      -1.19689000      -0.08854000      -4.25600000      -1.54102093       0.45560378       2.05473074
Zn      -0.89719000      -1.68914000      -6.78989000       0.76367932      -0.14783030       0.24681044
Zn      -2.84431000      -2.61587000      -4.61110000      -0.22583174       0.33571739      -0.24073324
Zn      -3.93223000       0.84552000      -3.85316000       0.28502985      -0.84469177      -0.11845665
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.25086961 magmom=-0.000576 free_energy=-69.25086961 stress="-0.004208991713181289 -0.022023967820963972 0.007104199176440761 -0.022023967820963972 -0.010298470615406449 0.011414751421643016 0.007104199176440761 0.011414751421643016 -0.006950696636953449" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24338000       2.83370000      -6.51303000      -0.33319530       2.22316916       0.80166537
O       -0.38699000       0.31269000      -2.15885000      -0.17152055       0.00355191      -0.41664434
O       -0.10847000      -0.39421000      -5.94101000       0.12852070       0.67181848       2.43175016
O       -2.44455000      -1.07557000      -3.53727000      -1.39593177      -0.24285398       0.60327436
O       -0.90686000       2.90645000      -6.08955000      -0.43605205      -0.92828150       1.08270444
O       -2.40473000       1.67916000      -3.83872000       1.33495629       0.43646235       0.15956951
O       -3.32211000       3.27050000      -7.79871000      -0.33879175      -0.44664728      -1.63308032
O       -4.02753000       1.32694000      -5.96966000       0.46278364      -1.33643076       0.82352472
O       -4.87781000      -1.94186000      -5.53587000      -0.59226549      -1.34673135       0.34232343
Zn      -1.99616000      -1.25932000      -1.60048000      -0.74135961       1.51317960      -0.42049089
Zn      -1.10661000      -0.09868000      -4.22377000       1.50902324       1.45444657      -1.43428641
Zn      -3.11933000      -4.36283000      -1.96483000       0.36302612       0.19636226      -0.66517295
Zn      -2.88963000      -2.54548000      -4.49971000      -0.54681577      -1.59891167      -1.30733943
Zn      -4.01644000       0.77867000      -3.91295000       0.75762228      -0.59913381      -0.36779765
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.80609655 magmom=0.0003145 free_energy=-69.80609656 stress="0.014760602309994713 -0.009294399098499192 0.008242670033099014 -0.009294399098499192 0.013217040296984468 0.0010965506406670443 0.008242670033099014 0.0010965506406670443 -0.025509371850397186" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25232000       2.86733000      -6.49152000       0.09676100      -1.80058540       0.53868761
O       -0.38304000       0.30306000      -2.20091000       0.22818957      -0.18011880      -0.10179796
O       -0.13005000      -0.31176000      -5.87368000       0.24170530      -0.63666254       0.50032570
O       -2.45899000      -1.02597000      -3.53437000      -0.69370392       0.75252180      -0.70909841
O       -0.87584000       2.85344000      -5.83050000       0.79337670       0.35502467      -0.64477925
O       -2.39375000       1.77253000      -3.71684000      -0.25729938      -0.83499870      -0.32229545
O       -3.37203000       3.13455000      -7.87187000      -0.25641441      -0.15583665      -0.25899970
O       -3.91427000       1.33763000      -5.78786000      -0.65053824       1.45586516      -1.47862185
O       -5.03228000      -1.93289000      -5.50996000       0.11430743      -0.10473122       0.34957076
Zn      -2.05523000      -1.17668000      -1.65486000      -0.48944832       0.26847386       0.12546204
Zn      -0.96756000      -0.03883000      -4.24990000      -0.58746895       0.45384509       0.17755811
Zn      -3.08410000      -4.44130000      -1.99329000       0.03176612       0.78826172       1.57171380
Zn      -2.95673000      -2.55629000      -4.46197000      -0.22951296      -0.14855891      -0.12074095
Zn      -4.03755000       0.68733000      -3.99183000       1.65828007      -0.21250008       0.37301555
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.77333659 magmom=-0.0003714 free_energy=-69.77333659 stress="0.019095854722136263 0.0049501256959048 0.0003289577148721805 0.0049501256959048 -0.005166243229705228 0.007348967278102477 0.0003289577148721805 0.007348967278102477 -0.00010512942069763599" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26347000       2.85394000      -6.46980000      -0.09888704       1.66438104      -2.54370456
O       -0.36486000       0.24741000      -2.27000000      -0.46311674      -0.27931988       0.25593414
O       -0.04436000      -0.37090000      -5.78090000       0.56523974       0.67812467      -1.40756804
O       -2.66151000      -0.86450000      -3.64990000       0.24330283      -0.72752421      -0.24020093
O       -0.71000000       2.86048000      -5.64356000      -0.04861819       0.86806114       0.26010562
O       -2.40767000       1.72257000      -3.66737000       0.15355526       0.07141500      -0.28301010
O       -3.48574000       2.95492000      -7.99760000       0.55425216       0.56767748       1.06353010
O       -3.88659000       1.45425000      -5.80126000       0.12750132      -2.10790771       0.37042972
O       -5.15190000      -1.97025000      -5.40301000       0.59893381      -0.32103605      -0.56860075
Zn      -2.14167000      -1.07727000      -1.71061000      -0.18822891      -2.16164888      -0.37572415
Zn      -0.86091000       0.06285000      -4.24891000      -1.53693307       0.32960202       1.12020099
Zn      -3.04096000      -4.47272000      -1.94298000       0.20988164       1.39064237       1.38010179
Zn      -3.04146000      -2.58180000      -4.43797000      -0.12171054       0.33874383       0.14322411
Zn      -3.97005000       0.57747000      -4.05616000       0.00482772      -0.31121081       0.82528208
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.8476281 magmom=-6.59e-05 free_energy=-69.8476281 stress="0.022670752049710603 -0.002196431550875368 -0.006254514233890386 -0.002196431550875368 0.0009146510571776282 0.011744105466103182 -0.006254514233890386 0.011744105466103182 0.02616186732837888" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28014000       2.85164000      -6.55555000      -0.26694686      -2.05214833       1.61777191
O       -0.42135000       0.14822000      -2.28213000       0.33605300       0.23854785       0.26911561
O        0.15614000      -0.27814000      -5.96397000      -1.01931039       0.51720176       1.42745421
O       -2.74477000      -0.90160000      -3.78719000       1.46070790      -0.57836102       0.99454067
O       -1.59519000      -3.02172000      -5.52334000      -0.22559665      -1.06942569      -0.16282591
O       -2.38436000       1.67858000      -3.65882000       0.39997636      -0.03673239       0.35818272
O       -3.43754000       2.92194000      -7.97163000       0.91906449       0.87044227      -0.41267049
O       -3.89851000       1.35547000      -5.87390000      -0.45602391       0.88981465      -0.66194459
O       -5.13449000      -2.04061000      -5.39968000       0.42699294      -0.54114846      -1.18081130
Zn      -2.23987000      -1.08190000      -1.77606000      -0.36996734      -0.07779030       0.03343467
Zn      -0.84502000       0.17572000      -4.19293000      -0.53496713      -0.14519379      -1.56365818
Zn      -2.98873000      -4.42525000      -1.82575000       0.32968973       1.54802077      -0.01644591
Zn      -3.13062000      -2.59185000      -4.41010000      -0.01754872      -0.84265154      -0.54391803
Zn      -3.91502000       0.47393000      -4.08061000      -0.98212343       1.27942424      -0.15822539
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.29107565 magmom=-0.0003364 free_energy=-70.29107565 stress="0.034682837864812764 0.004831202633661599 -0.010916517850114918 0.004831202633661599 0.0029246995363471483 0.003217369660172737 -0.010916517850114918 0.003217369660172737 0.019356029258818658" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30143000       2.74696000      -6.61739000       1.64061556      -0.50220173      -1.21077182
O       -0.42752000       0.11318000      -2.24924000       0.18221333       0.66258719      -0.26143761
O        0.14092000      -0.12957000      -5.82695000      -0.68913577      -0.98989686       1.02025615
O       -2.54965000      -1.01514000      -3.73426000      -0.74275449       0.81206995      -0.48949397
O       -1.47695000      -3.07935000      -5.39292000      -0.35106965      -0.22084966      -1.04377507
O       -2.29582000       1.63249000      -3.58675000      -0.54380112      -0.16947843       0.20614542
O       -3.25367000       3.06680000      -7.93829000      -1.39792304      -0.30025613       0.81220757
O       -3.96005000       1.26737000      -5.99657000       0.31832661      -0.70668426       0.51935390
O       -5.01518000      -2.14597000      -5.55017000       0.11498104       0.35832155       0.79423601
Zn      -2.35035000      -1.08874000      -1.84091000       0.04294307       1.18617898       0.60494272
Zn      -0.86178000       0.27488000      -4.21352000      -0.44818233      -0.01586913      -0.52008608
Zn      -0.68559000      -1.72971000      -6.54191000      -0.09665354      -0.01984922       0.53451285
Zn      -3.21359000      -2.64503000      -4.41599000       0.93082705      -0.45058463      -0.88907273
Zn      -3.90496000       0.43307000      -4.10593000       1.03961327       0.35651238      -0.07701733
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.13829182 magmom=-0.0001294 free_energy=-70.13829182 stress="0.023672898267022326 0.007512669654354253 0.009444526866485156 0.007512669654354253 0.01806965813515883 -0.012983992894374408 0.009444526866485156 -0.012983992894374408 0.001230879669817736" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24310000       2.62289000      -6.67981000       0.41609764       0.57346901       2.45137362
O       -0.37299000       0.21508000      -2.27033000       0.64480664       0.21087179      -0.06220915
O        0.04772000      -0.16747000      -5.59448000       1.42365551       0.70145253      -1.98993893
O       -2.51247000      -0.97426000      -3.75915000      -1.07340024      -1.07954534      -0.44480958
O       -0.39095000       2.83025000      -5.39678000      -0.82796679       0.84819494       0.19655704
O       -2.32084000       1.58924000      -3.47470000      -0.29847851       0.89729286       0.06685975
O       -3.25062000       3.14714000      -7.88131000       0.44079782      -0.68423879      -1.52097789
O       -3.95601000       1.08704000      -6.02788000       0.15948246       0.57983662      -0.32553515
O       -4.89298000      -2.22716000      -5.58108000      -0.50388473      -1.06860854       0.04870652
Zn      -2.44412000      -1.04403000      -1.86602000       0.52779236      -0.58447496       0.25433489
Zn      -0.91510000       0.36823000      -4.23967000      -1.66984485       0.82013111       2.09096968
Zn      -0.63509000      -1.62672000      -6.41555000      -0.68571524      -1.80800885      -0.34420186
Zn      -3.24222000      -2.72127000      -4.46874000       1.30939437       0.21366766      -0.47862918
Zn      -3.85664000       0.42004000      -4.13203000       0.13726354       0.37995996       0.05750025
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.56080867 magmom=5.74e-05 free_energy=-70.56080867 stress="0.01701308570860904 0.005477571683462678 -0.011458840518364904 0.005477571683462678 0.002557635311114384 -0.010039045003645582 -0.011458840518364904 -0.010039045003645582 0.02503625564076138" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.13860000       2.54666000      -6.65246000       0.01205608       0.09677816      -2.10908835
O       -0.22188000       0.36029000      -2.30868000      -0.40485376      -0.31858572       0.15535314
O        0.16487000      -0.03859000      -5.68292000      -1.05927810       0.15659452       0.63135512
O       -2.68496000      -1.10390000      -3.86449000       0.62114281       1.12728965       1.22283331
O       -1.59689000      -3.10264000      -5.53348000       0.43026076       0.07448785      -0.44560495
O       -2.41872000       1.70370000      -3.35881000       0.08460349      -0.57921882      -0.18213682
O       -3.24950000       3.03524000      -8.02122000      -0.31387776      -0.81294092       0.99139740
O       -3.90618000       0.97662000      -6.09338000       0.12134744       0.27855978      -0.07624393
O       -4.85835000      -2.43877000      -5.51723000      -0.06917076       0.78527951       0.80919964
Zn      -0.26457000       1.54391000      -6.71214000       0.38508629      -0.47613175      -0.80347679
Zn      -1.03404000       0.48523000      -4.17970000       0.55264331      -0.39981474      -0.22254145
Zn      -0.62366000      -1.62243000      -6.30990000      -0.16469693      -0.46109564      -0.06987672
Zn      -3.19824000      -2.78208000      -4.54575000       0.34355223       0.10532168       0.09708664
Zn      -3.80319000       0.43018000      -4.15379000      -0.53881510       0.42347645       0.00174378
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.0901026 magmom=-2.43e-05 free_energy=-70.0901026 stress="0.002660843252020071 0.0019157048980451583 9.452519031539722e-05 0.0019157048980451583 0.004298744377234143 0.013539602580874211 9.452519031539722e-05 0.013539602580874211 0.01323276170976318" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.05746000       2.50307000      -6.68822000      -1.72040597       0.32634606       1.17249272
O       -0.14046000       0.42884000      -2.31918000      -0.07546636      -0.53467585       0.14566999
O        0.09309000       0.10228000      -5.63968000      -1.23236794      -1.39318405       0.94931316
O       -2.74381000      -1.06258000      -3.75152000       0.69524723      -0.23781901      -0.89856111
O       -1.65172000      -3.01635000      -5.67741000       0.14409309      -1.02359782       0.17197510
O       -3.56439000      -4.27543000      -3.36132000       0.46959890       0.03054867      -0.42998564
O       -3.22830000       2.77128000      -8.07832000       0.60738397       0.37837826      -0.08070721
O       -3.82266000       0.91324000      -6.16986000      -0.18734865       0.26423887       0.14637764
O       -4.86469000      -2.56313000      -5.37938000      -0.19080525      -0.09693921      -1.51072390
Zn      -2.53914000      -1.03854000      -1.92836000       0.26615821      -0.21324051       0.21385610
Zn      -1.12701000       0.58127000      -4.12151000       1.12680320      -0.79708036      -0.33933314
Zn      -0.62007000      -1.64490000      -6.21731000       0.96715460       1.80336093      -0.35996347
Zn      -3.13589000      -2.82684000      -4.60990000      -0.07687943       0.96147175       1.20718342
Zn      -3.78303000       0.46639000      -4.17746000      -0.79316560       0.53219227      -0.38759367
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.82750529 magmom=0.0002979 free_energy=-69.82750529 stress="-0.005201443194096071 -0.001266830181922475 0.007127298808228872 -0.001266830181922475 -0.012478891715456993 -0.01343509140038002 0.007127298808228872 -0.01343509140038002 -0.004747934267198115" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.06994000       2.45814000      -6.71151000       0.21365850      -1.17470238      -0.48861066
O       -0.12363000       0.37966000      -2.30493000      -0.73359853      -0.21793619      -0.13471388
O       -0.26108000      -0.00998000      -5.41719000       1.75929028       1.35598876      -1.96891094
O       -2.63085000      -1.02408000      -3.82322000       0.04337384      -0.48082787      -0.52170943
O       -0.57621000       2.90698000      -5.73428000       0.24326212       0.83654186       1.02051374
O       -3.55651000      -4.24077000      -3.38042000       0.04041903       0.45022358       0.14637032
O       -3.10921000       2.54187000      -8.08214000      -0.50052206       0.88680096       0.48054540
O       -3.77083000       0.86637000      -6.20475000      -0.73489848       0.22323337       0.47884927
O       -4.87032000      -2.63441000      -5.44771000       0.66686015       0.81321263      -0.02741846
Zn      -2.56391000      -1.07780000      -1.97763000       0.25964548      -1.70339017       0.06441334
Zn      -1.17404000       0.64633000      -4.06419000      -0.20506554      -0.37401815       1.32801931
Zn      -0.57221000      -1.58741000      -6.12730000      -0.88244409      -1.73742832      -0.97740368
Zn      -3.06775000      -2.82170000      -4.61709000      -0.05021555       1.26678384       0.64428899
Zn      -3.80758000       0.54083000      -4.22797000      -0.11976513      -0.14448191      -0.04423331
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.67405716 magmom=0.0001063 free_energy=-69.67405716 stress="0.015461926399619075 -0.0031056965164773425 0.004755923330222646 -0.0031056965164773425 -0.012575215040860994 0.01421435863208921 0.004755923330222646 0.01421435863208921 0.0071252488469715665" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.10914000       2.35092000      -6.74784000       0.39936386       1.07932967      -0.02555730
O       -0.22704000       0.23013000      -2.30374000       0.92998207      -0.24230832       0.26806861
O       -0.39769000       0.13156000      -5.52218000       0.91848483      -0.56813050       0.12946711
O       -2.46250000      -1.03521000      -4.06125000      -0.54536645       1.69496420       2.19408517
O       -0.49299000       2.89003000      -5.70089000       0.43694936      -0.42297082      -0.34527771
O       -3.56162000      -4.09040000      -3.38247000      -0.88210955      -0.19518596       0.26963368
O       -3.01652000       2.45741000      -8.02221000      -0.83202923       0.32387841       0.15151390
O       -3.87571000       0.80080000      -6.14483000      -0.51363946       0.07110824      -0.54353778
O       -4.73611000      -2.57593000      -5.63422000      -0.24228918      -0.48689007      -0.62158633
Zn      -2.57803000      -1.22069000      -2.02578000       0.22361273       1.18684693      -1.50019368
Zn      -1.22692000       0.69548000      -3.92601000       0.84546186      -1.19519566      -0.74152722
Zn      -0.54691000      -1.59214000      -6.06244000      -0.91556781      -0.69556001      -0.33171611
Zn      -2.98313000      -2.73694000      -4.58563000      -0.39931146       0.12999721      -0.46943687
Zn      -3.85077000       0.63424000      -4.29315000       0.57645844      -0.67988332       1.56606453
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.34288121 magmom=-2.53e-05 free_energy=-69.34288121 stress="0.012317391874153105 -0.00037136685323925554 -0.003342563934883752 -0.00037136685323925554 0.011032678364245421 0.014571191319932661 -0.003342563934883752 0.014571191319932661 5.945443140496986e-06" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.12675000       2.28700000      -6.78617000       1.12174431       0.05737769       0.80132174
O       -0.22371000       0.04816000      -2.28265000      -0.32276085       0.77027878      -0.36235554
O       -0.29713000       0.12662000      -5.55322000       0.07196333      -0.49484302       0.31874948
O       -2.42854000      -0.79717000      -3.91102000      -1.48858758      -1.04548654      -0.79739737
O       -0.34861000       2.80512000      -5.68116000      -0.95923624      -0.41892719       0.60308417
O       -3.71504000      -3.96468000      -3.35195000       0.57593171      -0.31430902      -0.69055193
O       -3.04610000       2.44619000      -8.01316000      -0.06582156      -0.46845754      -1.43316389
O       -4.09416000       0.71167000      -6.14235000       0.34994291       0.67420416      -0.37430217
O       -4.59825000      -2.53683000      -5.87556000      -0.44608174      -0.31581027       0.99077966
Zn      -2.58135000      -1.30783000      -2.16822000       0.09693443       0.37575820       1.93326322
Zn      -1.24453000       0.70028000      -3.80334000       1.27012608       0.52877731      -1.46084339
Zn      -0.56836000      -1.63874000      -6.02250000      -0.35591059       0.87598090      -0.11816459
Zn      -2.91204000      -2.62911000      -4.57369000      -0.07733560      -0.11026119      -0.74865949
Zn      -3.87004000       0.69868000      -4.28517000       0.22909139      -0.11428226       1.33824008
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.27350105 magmom=-0.0002441 free_energy=-69.27350105 stress="0.01856769408802498 0.011629472186840689 -0.009377851183783795 0.011629472186840689 0.021486572118878344 0.006611594222808423 -0.009377851183783795 0.006611594222808423 0.030434505270494086" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.08545000       2.26016000      -6.80378000       0.06814632       0.55278417      -1.61469645
O       -0.22468000       0.03598000      -2.31241000       0.48537081       0.60498813       0.35274161
O       -0.17702000      -0.01569000      -5.41832000      -0.14518104       1.25646136      -1.08134587
O       -2.66046000      -0.72372000      -3.93403000       0.50174521      -1.00378474      -0.19194655
O       -0.38932000       2.67567000      -5.57114000       0.15932449       0.59232458      -0.36002254
O       -3.74036000      -3.92701000      -3.44662000       1.00934759      -0.37448119       0.09528219
O       -3.14452000       2.34840000      -8.22622000      -1.06979731      -0.23973011       1.20066354
O       -4.19144000       0.71221000      -6.17814000       0.96896386       0.28953300       0.53090595
O       -4.55400000      -2.56734000      -5.88661000      -0.18189692      -0.53231780       0.18879050
Zn      -2.57642000      -1.34634000      -2.20620000       0.19207723      -0.23155522       3.35106938
Zn      -1.19720000       0.71926000      -3.77980000       0.43191835       0.24656382      -1.81069658
Zn      -0.61492000      -1.65833000      -5.99760000      -0.64071286      -1.13357972      -0.22299415
Zn      -2.86196000      -2.54352000      -4.60430000      -0.96436952      -0.48155600      -0.55025819
Zn      -3.87785000       0.74709000      -4.21128000      -0.81493620       0.45434973       0.11250714
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.32092767 magmom=4.29e-05 free_energy=-69.32092767 stress="0.007035691386116624 0.015827614846444276 0.005597255329766451 0.015827614846444276 0.006999967365895045 0.0048560025523997465 0.005597255329766451 0.0048560025523997465 0.02442654837920351" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.05682000       2.26288000      -6.88528000      -1.39320141      -0.49912022       2.51321086
O       -0.16586000       0.18787000      -2.29489000      -0.33794815       0.22348643       0.11896156
O       -0.09192000       0.05126000      -5.50433000      -0.68483400      -2.26973560       0.72099735
O       -2.82724000      -0.82309000      -4.01546000       1.16550569       1.27053331       2.61141949
O       -0.41468000       2.65758000      -5.53001000       0.43023405       0.06015917      -0.48449243
O       -3.55336000      -3.98918000      -3.52704000      -0.32663598      -0.25151590       0.82163226
O       -3.36147000       2.21744000      -8.35396000       1.33195075       0.67092706      -0.86186031
O       -4.07817000       0.75870000      -6.10497000       0.24022703       0.57985245      -0.56303239
O       -4.52999000      -2.69007000      -5.82204000       0.11762947       0.05856850      -1.04897551
Zn      -2.56317000      -1.39878000      -2.05074000      -0.19384108       1.56256069      -1.39329674
Zn      -1.11159000       0.75502000      -3.86285000       0.45948561      -0.70832994      -1.62102191
Zn      -0.69554000      -1.72796000      -5.98436000       0.74936829       1.16055201      -0.35852084
Zn      -2.86746000      -2.48795000      -4.67433000      -1.40681373      -1.48603762      -0.38289173
Zn      -3.92782000       0.81679000      -4.11824000      -0.15112654      -0.37190036      -0.07212968
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.49291564 magmom=8.76e-05 free_energy=-69.49291564 stress="0.016050149943618502 -0.009578267408706405 -0.007731144406423235 -0.009578267408706405 -0.0007060967095095437 -0.0032890775970558965 -0.007731144406423235 -0.0032890775970558965 0.025799904644320724" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.09944000       2.25482000      -6.90186000       0.24888752       0.51725753      -1.38252388
O       -0.14962000       0.38729000      -2.24585000       0.17348517      -0.62222366      -0.06732284
O       -0.13315000      -0.21789000      -5.50449000       0.47550980       2.67599743       0.63783797
O       -2.74038000      -0.80091000      -3.63850000       0.00997687      -0.50252302      -1.91377779
O       -0.38034000       2.64698000      -5.56344000      -0.62338331      -0.29914463       1.13103763
O       -3.42696000      -4.08122000      -3.44998000      -0.89453479       0.53696500      -0.11610177
O       -3.40045000       2.23167000      -8.48816000       0.03480716       0.79111410       1.85344645
O       -3.91142000       0.82135000      -6.08300000      -0.61562991      -0.65105996      -0.02270610
O       -4.45344000      -2.74161000      -5.90612000       0.20561829       1.16980066      -0.41971704
Zn      -2.55536000      -1.38443000      -1.93507000       0.26893643      -0.71059774       0.19767323
Zn      -0.99928000       0.75240000      -4.03756000      -0.10869234      -0.82903745      -0.19974682
Zn      -0.74454000      -1.75351000      -5.99523000       0.19406065      -1.22170252      -1.57544130
Zn      -2.94644000      -2.48907000      -4.75377000      -0.27762659       0.27071661       1.69492407
Zn      -3.99053000       0.86867000      -4.02254000       0.90858505      -1.12556235       0.18241818
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.65872101 magmom=0.0001636 free_energy=-69.65872101 stress="0.01722336082786011 0.0038833345395424216 0.013622961243250218 0.0038833345395424216 0.0324185677819123 -0.011853704543833025 0.013622961243250218 -0.011853704543833025 0.01011334203710283" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.12309000       2.27817000      -6.92864000       0.65719787       0.56540365       2.56573467
O       -0.14805000       0.44576000      -2.22680000      -0.51215474      -0.50723363      -0.35030762
O       -0.08178000      -0.17626000      -5.42766000       1.04670011      -1.78468474      -1.94454601
O       -2.64598000      -0.84110000      -3.63898000      -0.36327148      -0.39937470      -0.73535511
O       -0.44940000       2.59815000      -5.38574000       0.25673653       0.22839306       0.28530277
O       -3.49569000      -4.07213000      -3.38943000      -0.15160001      -0.14593595      -0.22256717
O       -3.36998000       2.38905000      -8.37567000       0.46966056      -0.21048944      -1.38253309
O       -3.89012000       0.80138000      -6.09429000      -0.62923521       1.06185465      -0.29411046
O       -4.36698000      -2.59329000      -6.10011000      -0.52136583      -0.06348045      -0.11739313
Zn      -0.29970000       1.18258000      -6.68415000       0.28210542       0.27698264      -1.56709161
Zn      -0.92256000       0.72125000      -4.17903000      -2.34029517       1.32899970       3.21458172
Zn      -0.76329000      -1.80412000      -6.07798000       0.62423378       0.09633638      -1.03122737
Zn      -3.03520000      -2.48402000      -4.74009000      -0.30027654       0.35338208       1.84649466
Zn      -3.99448000       0.85825000      -3.93716000       1.48156472      -0.80015327      -0.26698226
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.84996282 magmom=-0.0001354 free_energy=-69.84996282 stress="0.033977177854972236 -0.0044500131617449205 -0.00983275948823532 -0.0044500131617449205 0.03115419444522705 -0.015030280436857066 -0.00983275948823532 -0.015030280436857066 0.04466300066485154" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.10302000       2.36189000      -6.87461000      -0.23171346       1.92129252      -2.18343027
O       -0.23164000       0.37106000      -2.27902000       0.52125455      -0.41518048      -0.06863324
O        0.12627000      -0.31048000      -5.60794000      -0.95837665       0.46622408       0.49580774
O       -2.62245000      -0.89607000      -3.84168000       0.18078238       1.35637287       1.81024199
O       -0.47284000       2.58082000      -5.16388000       0.34707628      -0.25338104      -1.28007402
O       -3.60609000      -4.07876000      -3.38451000       0.44249053       0.18368136       0.09524224
O       -3.31841000       2.47921000      -8.40086000      -1.00003696      -0.95804591       0.83381198
O       -3.99412000       0.91324000      -6.11633000       0.28783317      -0.08957353       0.65412252
O       -4.34701000      -2.40396000      -6.22926000      -0.13879710      -0.17291788       1.35259471
Zn      -2.50410000      -1.38941000      -1.83278000       0.45539278       0.80965332      -1.45182045
Zn      -0.94935000       0.73440000      -4.17623000      -0.04532475      -0.50482395       0.33246791
Zn      -0.75266000      -1.86689000      -6.21592000       0.30006443      -0.39047052      -0.12788828
Zn      -3.13830000      -2.46885000      -4.63391000      -0.47091045      -1.01611934       0.10495064
Zn      -3.92057000       0.79949000      -3.87178000       0.31026524      -0.93671152      -0.56739348
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.0100067 magmom=-0.0001217 free_energy=-70.0100067 stress="0.02769688415990148 0.007209050943604932 -0.009407349048991941 0.007209050943604932 0.047862725160544295 -0.008896759030775641 -0.009407349048991941 -0.008896759030775641 0.030790031211020905" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.09738000       2.53477000      -6.89316000      -0.27547775      -1.38100460       1.97099043
O       -0.24634000       0.23474000      -2.35628000      -0.25392707       0.82585049       0.01902262
O        0.14970000      -0.38285000      -5.71808000      -1.22491159       1.14979239       0.41747965
O       -2.58451000      -0.76487000      -3.70920000       0.00479860      -1.00457940      -0.36107463
O       -0.43506000       2.52773000      -5.20375000      -0.56633561       0.35522809      -0.55638555
O       -3.62544000      -4.03836000      -3.36193000       0.19556537       0.17170721      -0.04719563
O       -3.39043000       2.39059000      -8.37006000       0.93016995       0.19178363      -0.60601070
O       -4.04536000       1.08427000      -6.03480000       0.59383334       1.10560699      -0.09500663
O       -4.37390000      -2.25942000      -6.09592000      -0.61312469      -0.37019133      -0.31182009
Zn      -2.44564000      -1.34721000      -1.89860000       0.62464186      -0.53538514       0.61468836
Zn      -0.98908000       0.72904000      -4.14319000       0.57976294      -0.46740169      -1.02886416
Zn      -0.72396000      -1.94463000      -6.35526000       0.21413593       0.01030072       0.93239051
Zn      -3.25406000      -2.49152000      -4.51464000       1.03216592       0.01396797       0.00186414
Zn      -3.83591000       0.69213000      -3.84663000      -1.24129720      -0.06567531      -0.95007832
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.05324515 magmom=-0.0001051 free_energy=-70.05324515 stress="0.026350790706781983 0.007184372291147591 -0.012774646630269941 0.007184372291147591 0.01583720419495963 0.013971378179780766 -0.012774646630269941 0.013971378179780766 0.013755646183999042" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.10842000       2.64282000      -6.85465000       0.25112422      -0.41786595      -0.63148832
O       -0.27258000       0.26928000      -2.40541000       0.41099873       0.62691280       0.57324346
O       -0.09681000      -0.24271000      -5.70626000      -0.55830679      -1.00367558       0.67628657
O       -2.54034000      -0.79887000      -3.67021000      -0.02723011      -0.66607154      -1.53092114
O       -0.51581000       2.55797000      -5.36341000      -0.57312069       0.65239872       0.35806862
O       -3.60991000      -4.00082000      -3.34584000      -0.45731539      -1.29638467      -0.21675277
O       -3.32384000       2.35149000      -8.35826000      -0.16128634       0.72368489       1.22852883
O       -3.97021000       1.34593000      -5.89988000       0.12731022      -1.26813343       0.60247947
O       -4.50853000      -2.16831000      -5.98250000      -0.14477174       0.42129283      -0.48284452
Zn      -2.35710000      -1.33162000      -1.93177000       0.20717388      -0.21654983       0.72185559
Zn      -0.99644000       0.69779000      -4.16856000       0.27582045      -0.15312396      -1.48564865
Zn      -0.68479000      -2.01499000      -6.43447000       0.07436859       1.02519279       1.56563224
Zn      -3.31134000      -2.51260000      -4.41031000       1.23756398       0.64042982      -0.94773839
Zn      -3.82005000       0.58556000      -3.87277000      -0.66232902       0.93189311      -0.43070100
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.91555995 magmom=-0.0003283 free_energy=-69.91555995 stress="0.007722669535535892 -0.011754539584154193 0.0032370095423127523 -0.011754539584154193 0.014206620889671142 -0.018693533204251336 0.0032370095423127523 -0.018693533204251336 0.012357280809723823" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.10756000       2.69712000      -6.78849000       0.01002781      -0.23092367       2.72611352
O       -0.24460000       0.45011000      -2.36113000      -0.11477547      -0.29447750      -0.26380827
O       -0.43103000      -0.27876000      -5.64836000       1.52151354      -0.45240858      -2.17521965
O       -2.49252000      -0.96608000      -3.88257000       0.17008764       1.18960688       1.62605194
O       -0.71593000       2.69228000      -5.47585000       0.35203775      -1.02168935      -0.19928981
O       -3.66108000      -4.18692000      -3.39048000       0.92067695       0.53959900      -0.32751330
O       -3.24758000       2.45303000      -8.17486000      -0.18926603      -0.16187312      -0.59583327
O       -3.87510000       1.43348000      -5.70944000      -0.66238546       0.17239934      -1.28647661
O       -4.68057000      -2.00020000      -5.98196000       0.25518791      -0.13874336      -0.26588607
Zn      -2.25894000      -1.33143000      -1.92547000      -0.78860168       0.12412463      -0.03407139
Zn      -0.99764000       0.66600000      -4.25682000      -1.16457269       1.14484620       1.26936828
Zn      -0.64429000      -2.03038000      -6.42729000      -0.70511007       0.93920267       0.96860327
Zn      -3.30443000      -2.51660000      -4.35624000      -0.00581790      -1.85177895      -1.07030097
Zn      -3.84022000       0.52412000      -3.93087000       0.40099771       0.04211582      -0.37173765
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.94018351 magmom=-0.0003255 free_energy=-69.94018351 stress="0.01829962217608712 -0.007576513539399164 -0.000873613340644747 -0.007576513539399164 0.0030065673643363653 -0.004679039977662868 -0.000873613340644747 -0.004679039977662868 0.0077869551633891875" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.11278000       2.75898000      -6.61692000      -0.34067824       1.25328187      -1.71587220
O       -0.21179000       0.55942000      -2.34878000       0.15745425      -0.87089749       0.04433766
O       -0.47554000      -0.29295000      -5.89346000       0.62256295       1.40506961       1.32668569
O       -2.43076000      -0.95218000      -3.81087000      -0.54115579      -0.34983767       0.09020923
O       -0.84123000       2.63287000      -5.62143000       0.82871645      -0.07936700       0.06553787
O       -2.47977000       1.72224000      -3.43365000       0.08772864       0.61458039       0.48301840
O       -3.24732000       2.54507000      -8.03441000      -0.28034123      -0.02866677       0.16361178
O       -3.90642000       1.42535000      -5.67938000      -0.59264537      -0.25207633      -0.12823777
O       -4.77005000      -1.81464000      -5.98871000       0.68225556      -0.64668728       0.90692098
Zn      -2.20062000      -1.32313000      -1.92234000      -0.52211173       0.57737835      -0.61264231
Zn      -1.05023000       0.67593000      -4.30902000       0.02121213      -0.42238277      -0.39714202
Zn      -0.64435000      -2.01288000      -6.36776000      -1.14149095      -0.96402453      -0.07286178
Zn      -3.28278000      -2.59957000      -4.36188000       0.79226517       0.05490730      -0.64497421
Zn      -3.84419000       0.46809000      -4.00915000       0.22622816      -0.29127768       0.49140870
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.83078417 magmom=-4.66e-05 free_energy=-69.83078417 stress="0.012228058527166345 0.010481081668521125 0.005637663615070023 0.010481081668521125 0.006179327928937409 0.006244914149979338 0.005637663615070023 0.006244914149979338 -0.004929996635487044" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.14476000       2.89038000      -6.50378000       0.40041575      -1.04224095      -1.15240528
O       -0.18692000       0.50591000      -2.33080000      -0.63189500       0.33858450       0.33880424
O       -0.37569000      -0.19040000      -5.87493000       0.26458217      -1.48541286       0.93854199
O       -2.47234000      -0.95726000      -3.72900000      -0.43195396      -0.64509415      -2.00456954
O       -0.81085000       2.56854000      -5.74310000      -0.17659236       1.19807598       1.20280016
O       -2.33088000       1.74312000      -3.42940000      -1.12003981      -0.62135967       0.89867995
O       -3.27111000       2.64257000      -7.89593000       0.43487443       0.42589835      -0.07191653
O       -4.08842000       1.39897000      -5.70886000      -0.06273310       0.85997056       0.22771412
O       -4.70291000      -1.72941000      -5.77712000       0.07772807      -1.13641093       0.45532822
Zn      -2.15400000      -1.26842000      -1.96286000       0.38775985      -0.33835441      -0.17455199
Zn      -1.11308000       0.66648000      -4.38436000       0.51973653      -0.67483441      -0.07063518
Zn      -0.70876000      -2.02248000      -6.29902000      -0.23777070       1.08431257      -0.30728058
Zn      -3.21635000      -2.69641000      -4.41785000       0.71261043       1.67247711      -0.82748689
Zn      -3.83483000       0.38639000      -4.07470000      -0.13672228       0.36438831       0.54697731
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.53962707 magmom=3.74e-05 free_energy=-69.53962707 stress="0.0014250147894805682 0.01275676688491097 0.0007223578817559538 0.01275676688491097 0.00392105878867659 -0.010588022980593477 0.0007223578817559538 -0.010588022980593477 0.02153897203466171" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17222000       2.97962000      -6.45902000      -0.79906656      -1.38502950       0.08338985
O       -0.27285000       0.50849000      -2.24116000       0.36935742       0.69804198      -0.00686574
O       -0.18019000      -0.35352000      -5.63491000       1.09795173       1.64856039      -1.05482398
O       -2.57345000      -1.08274000      -3.95452000       1.27718131       1.16135838       1.64625554
O       -0.77919000       2.64200000      -5.65879000       0.60236331      -2.13555920      -0.46449459
O       -2.39806000       1.67465000      -3.29914000      -0.24868134      -0.04913409      -1.46995776
O       -3.19282000       2.83326000      -7.78554000       0.00273012       0.19420859      -0.09084719
O       -4.29426000       1.50293000      -5.68578000       0.90108340      -0.16151518       0.44472557
O       -4.61848000      -1.87353000      -5.44690000      -1.36096204      -0.33041177      -1.06447371
Zn      -2.08922000      -1.20589000      -2.03075000      -0.62598854      -0.92212965       0.28772853
Zn      -1.16095000       0.62608000      -4.46180000      -0.20485505       0.32851281       1.30471960
Zn      -0.79149000      -1.97812000      -6.24338000       0.64163136       1.22824911      -0.71585328
Zn      -3.11099000      -2.73342000      -4.51551000      -1.02134955      -1.35605239       0.88729835
Zn      -3.83536000       0.31788000      -4.11438000      -0.63139558       1.08090050       0.21319882
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.80223358 magmom=0.0007222 free_energy=-69.80223358 stress="0.017533388407561017 0.0192937054558723 -0.007319088680837654 0.0192937054558723 0.011948825710888815 -0.011064616216374638 -0.007319088680837654 -0.011064616216374638 0.025522779073871255" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23665000       2.96161000      -6.43366000       0.44849111      -0.83400904      -0.27496165
O       -0.30445000       0.65167000      -2.16778000      -0.01743354       0.17987465      -0.41514782
O        0.14767000      -0.22081000      -5.63194000      -1.32090917      -0.27026381      -0.54462022
O       -2.44846000      -1.04542000      -3.91895000      -0.05188000      -0.42358862      -0.46164592
O       -0.64681000       2.40253000      -5.62569000      -0.15294544       1.74711926       0.69145595
O       -2.51548000       1.61742000      -3.41767000       0.37705408       0.64595416       0.33428087
O       -3.12568000       3.03398000      -7.70155000      -0.76995875      -0.43576902       0.43858321
O       -4.29871000       1.53783000      -5.58854000       0.25851767      -0.86362268      -0.84137114
O       -4.76938000      -2.02655000      -5.31635000      -0.09744832       1.10304319       0.09050791
Zn      -2.05939000      -1.20811000      -2.07223000       0.36276653      -1.60215210       0.19153215
Zn      -1.19915000       0.59937000      -4.47106000       1.36287683      -0.35192333       0.07790170
Zn      -0.83168000      -1.87807000      -6.22887000       0.63896039       0.67597783      -0.36758738
Zn      -3.06201000      -2.80721000      -4.56241000      -0.39715608       0.16132592       0.52969115
Zn      -3.86970000       0.31062000      -4.13419000      -0.64093529       0.26803360       0.55138118
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.79416316 magmom=-0.0001916 free_energy=-69.79416316 stress="0.03299378295359533 0.00851365633034208 -0.00023469629697395222 0.00851365633034208 0.02819350591162989 0.0071975298480151184 -0.00023469629697395222 0.0071975298480151184 0.03096873064170979" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28744000       2.90769000      -6.39784000      -0.14676323       0.90643419       1.39763425
O       -0.30707000       0.81062000      -2.18736000       0.48236722      -0.88714071      -0.30260934
O        0.19420000      -0.14418000      -5.74167000      -1.31670210      -0.97193947       0.61706955
O       -2.32360000      -1.04313000      -3.94533000      -0.92814328      -0.18519906      -0.46885695
O       -0.50286000       2.47427000      -5.51114000       0.35668407       1.03734977      -0.68539408
O       -2.56127000       1.67173000      -3.47860000       0.18911273      -0.48011722       0.98810995
O       -3.17241000       3.11982000      -7.59585000       0.41178055      -0.50825064      -0.67018560
O       -4.23190000       1.38167000      -5.67485000      -0.33360947       0.38595471      -1.26981949
O       -4.96791000      -1.99372000      -5.24468000       0.35950206      -0.76626021      -0.58298432
Zn      -2.02131000      -1.28712000      -2.09532000      -0.19006067       0.34090619       0.29891108
Zn      -1.16530000       0.56187000      -4.46641000       1.11620085       0.22018658       0.21342586
Zn      -0.83266000      -1.74729000      -6.23868000       0.39565749      -0.42502720      -0.45393654
Zn      -3.04778000      -2.86944000      -4.57469000      -0.42201775       1.40869225       0.00857321
Zn      -3.93614000       0.32158000      -4.11945000       0.02599153      -0.07558918       0.91006242
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.17168712 magmom=4.2e-06 free_energy=-69.17168712 stress="0.028737213976453003 -0.013332392978830316 -0.004275867954295393 -0.013332392978830316 0.013085711636168697 -0.0016001989086071179 -0.004275867954295393 -0.0016001989086071179 0.041397684149754886" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.33050000       2.88922000      -6.32148000       1.05501917      -1.23556763      -2.63541532
O       -0.24474000       0.80268000      -2.29780000      -0.27574664      -0.61434648      -0.15543847
O       -0.01770000      -0.18372000      -5.74438000       1.74963519       2.03000499       0.23380899
O       -2.39425000      -1.08021000      -4.07206000      -0.64085370       0.71513426       1.39761774
O       -0.29691000       2.80438000      -5.48280000      -0.80931331      -2.44508878      -0.26514887
O       -2.55357000       1.66673000      -3.36564000       0.32568413      -0.18900037      -1.08146890
O       -3.19068000       3.08827000      -7.56171000      -0.18602287      -0.00937925       0.55323259
O       -4.22642000       1.20460000      -5.99103000      -0.44750215       0.87221785       1.23645130
O       -5.09390000      -2.03325000      -5.20050000       0.62235545      -0.21030614       0.76997148
Zn      -1.98278000      -1.37074000      -2.10940000      -0.52283313       1.66479003      -0.33046463
Zn      -1.06208000       0.53088000      -4.43831000      -1.05558472       0.96229356       2.05103639
Zn      -0.81757000      -1.63173000      -6.28629000      -0.80305336      -2.13568528      -1.60864113
Zn      -3.05492000      -2.86897000      -4.58503000       0.20062153       0.18122730      -0.03807733
Zn      -4.01604000       0.33672000      -4.05392000       0.78759440       0.41370593      -0.12746386
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.51343217 magmom=-0.0002691 free_energy=-69.51343217 stress="0.030402107724976236 0.006168112255355162 0.005664434440110886 0.006168112255355162 0.0217463558996404 0.020394506071174847 0.005664434440110886 0.020394506071174847 0.031807016803524685" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.32885000       2.80892000      -6.36259000      -0.43972159       0.24388453       0.39716440
O       -0.22387000       0.63118000      -2.45933000       0.00555227       0.12502045       0.90916770
O        0.02893000       0.00295000      -5.70718000      -0.12137149      -2.50565072       0.25601957
O       -2.63083000      -0.98953000      -3.93167000       0.36458159      -0.54917471      -0.03152057
O       -0.21180000       2.71705000      -5.54307000      -1.16503983       0.31013393       0.05927219
O       -2.48181000       1.61153000      -3.44671000      -0.24794244       0.62465166      -0.50468233
O       -3.16649000       3.04925000      -7.48777000       0.88806993       0.49706335      -0.50623018
O       -4.32400000       1.16671000      -6.11567000      -0.00248293      -0.23286075       1.61187681
O       -5.09834000      -2.21141000      -5.05838000       0.00927196      -1.28717275      -1.40999420
Zn      -1.96959000      -1.36092000      -2.15084000      -0.63768392       2.31425547      -0.47833664
Zn      -0.99246000       0.55158000      -4.28374000      -0.63163722       0.35745308       0.29525509
Zn      -0.82789000      -1.59428000      -6.42129000       0.33083241      -0.68942616       0.31218624
Zn      -3.05723000      -2.84188000      -4.60122000       0.61934002       0.54485182      -0.38978542
Zn      -4.06550000       0.37690000      -3.97489000       1.02823125       0.24697079      -0.52039266
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.33997412 magmom=-0.0002198 free_energy=-69.33997412 stress="0.004787478009865116 0.01558868719325654 -0.015663064523728693 0.01558868719325654 0.01585825082587549 -0.0038054791281098696 -0.015663064523728693 -0.0038054791281098696 0.01021360143292387" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31883000       2.70312000      -6.42360000       1.16294362      -2.13889685       1.03522394
O       -0.24133000       0.47629000      -2.43240000      -0.92524619       0.49673430       1.01371901
O        0.11133000      -0.17803000      -5.68299000      -0.80567376       0.36494165      -0.14637687
O       -2.81773000      -1.00340000      -3.80277000       0.47437036      -0.85051048      -1.42537900
O       -0.37774000       2.60729000      -5.58397000      -0.14678667       1.26540027      -0.32821910
O       -2.46768000       1.67063000      -3.62497000      -0.47199279      -0.13027078       1.29123409
O       -3.05171000       3.09439000      -7.42972000      -0.77325355      -0.09158638       0.42952840
O       -4.42585000       1.10588000      -5.91051000       0.44471114      -0.09103415      -0.16586384
O       -5.08757000      -2.57108000      -5.08313000      -0.30525743       1.45315852       0.40278449
Zn      -1.99018000      -1.24825000      -2.19023000      -0.55897082      -0.41628390       2.79955289
Zn      -0.95662000       0.59431000      -4.11573000       0.46352817      -0.52358537      -3.64897284
Zn      -0.82591000      -1.59531000      -6.55773000      -0.02934324      -0.87640494       0.79301566
Zn      -3.02571000      -2.78279000      -4.64023000       0.59194987       1.00442892      -0.64984482
Zn      -4.06102000       0.43738000      -3.92832000       0.87902130       0.53390917      -1.40040201
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.71150324 magmom=-0.0002023 free_energy=-69.71150324 stress="0.024474010350007975 0.005796726371754581 -0.0035022131874563427 0.005796726371754581 0.009691782740061813 -0.011599875069154424 -0.0035022131874563427 -0.011599875069154424 0.01688236408448783" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28053000       2.52844000      -6.39545000      -1.14719737       1.37899394       1.23771253
O       -0.37302000       0.42814000      -2.22475000       0.93837691      -0.56593301      -0.35389853
O        0.03033000      -0.26328000      -5.66434000      -0.34582514       1.55005423       0.06041359
O       -2.84838000      -1.10422000      -3.89195000       0.73331551       1.80800749       1.22093343
O       -0.52715000       2.74026000      -5.69428000       0.63949386      -0.28386130      -0.42306734
O       -2.51957000       1.71136000      -3.55915000       0.85516143      -0.04031435      -0.36848755
O       -3.04466000       3.11513000      -7.37150000      -0.67244424      -0.84018697      -0.22323941
O       -4.41791000       0.98888000      -5.76417000       0.37872767      -0.45819691      -1.23190721
O       -5.13412000      -2.61898000      -5.09182000      -0.21164984       0.31493344      -0.52518865
Zn      -2.04040000      -1.16978000      -2.10486000      -0.82598064      -0.67419692       1.02336434
Zn      -0.90985000       0.60334000      -4.14656000      -0.00058201      -0.48650341      -1.54946532
Zn      -0.82553000      -1.63950000      -6.62321000       0.02482836      -0.10037651       1.17276894
Zn      -2.98311000      -2.70283000      -4.70048000      -0.85683756      -0.99001760      -0.20221829
Zn      -4.01448000       0.50308000      -3.95010000       0.49061306      -0.61240213       0.16227946
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.11646274 magmom=-0.0002653 free_energy=-70.11646274 stress="0.01690009070066191 0.012798366961416095 0.005644362021388447 0.012798366961416095 0.010062037069265416 0.0013353485828121255 0.005644362021388447 0.0013353485828121255 -0.004052167236567381" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31372000       2.43754000      -6.30560000       0.09459147       0.93844271      -0.02694558
O       -0.34276000       0.28987000      -2.11798000      -0.39619241      -0.12958617      -1.13242329
O       -0.09493000      -0.07480000      -5.69496000       0.68418942      -1.43798140      -1.38783306
O       -2.71193000      -0.94853000      -3.80683000       0.55581135      -0.81116403      -0.37164699
O       -0.57155000       2.84209000      -5.82964000      -0.50597045       0.18838224       1.03370510
O       -2.39902000       1.74556000      -3.57102000       0.74383756       0.34435324      -0.72771485
O       -3.15602000       2.96183000      -7.39180000      -0.05852512      -0.57993480      -0.55859375
O       -4.32038000       0.79580000      -5.86943000       0.25560143       0.76442185      -0.05259432
O       -5.19884000      -2.52848000      -5.11381000       0.35325438      -0.62479098       0.13027479
Zn      -2.12330000      -1.14253000      -1.97440000       0.10037266      -0.70885523      -0.97646924
Zn      -0.87963000       0.58871000      -4.25234000      -1.74323515       0.11324996       1.63187293
Zn      -0.81744000      -1.67615000      -6.61531000       0.89833093       1.54980653       0.83678021
Zn      -2.98549000      -2.65932000      -4.75636000      -0.91756573       0.76351173       1.10282089
Zn      -3.95068000       0.53484000      -3.96558000      -0.06450034      -0.36985566       0.49876716
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.94179389 magmom=-0.0001407 free_energy=-69.94179389 stress="0.022357409810482738 0.0016791894820289218 0.0036686497129542936 0.0016791894820289218 -0.013053280211739312 0.008938554535173006 0.0036686497129542936 0.008938554535173006 0.01395821489320786" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.35062000       2.40923000      -6.24978000       0.17018645      -0.07605098      -3.08850583
O       -0.36343000       0.11776000      -2.23788000       0.41203764       0.14849701       0.61275978
O       -0.11054000      -0.14780000      -5.87541000       0.70698705       0.75984799       1.89476187
O       -2.48240000      -0.89659000      -3.78890000      -0.78598461      -0.21328062      -0.83276341
O       -0.65431000       2.94587000      -5.81436000       0.52445007      -0.36247927      -0.70134084
O       -2.16185000       1.82554000      -3.69712000      -1.22252513      -0.35593786       1.22296965
O       -3.28200000       2.69294000      -7.52067000       0.20636796       0.49333667       0.33514479
O       -4.17146000       0.75147000      -5.97539000      -0.22581259       0.55476214       1.47027839
O       -5.17999000      -2.52985000      -5.06845000       0.23730535      -0.49267242      -0.16042180
Zn      -2.20049000      -1.13705000      -1.90031000       0.36296279       0.72622092      -1.13883703
Zn      -0.92556000       0.56333000      -4.29560000       0.01759552      -1.44290922      -0.06134437
Zn      -0.76668000      -1.64190000      -6.56534000      -0.10545398      -0.82196732      -1.01471507
Zn      -3.04438000      -2.57638000      -4.75167000      -0.84889363       1.52515519       1.12589754
Zn      -3.88538000       0.53934000      -3.95287000       0.55077710      -0.44252224       0.33611633
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.36377736 magmom=-0.0002991 free_energy=-70.36377736 stress="0.012198393339581554 -0.00021123697325642566 -0.00036229990031321277 -0.00021123697325642566 -0.003781562826060182 0.0024623989070756015 -0.00036229990031321277 0.0024623989070756015 0.013584076984678967" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.36264000       2.37762000      -6.36706000       1.57399376      -0.70949759       0.51819037
O       -0.36713000      -0.01564000      -2.27644000      -0.64629042       0.36341275       0.24981602
O        0.05386000      -0.12334000      -5.71422000       0.42791743      -0.10191853      -0.62034745
O       -2.40642000      -0.90771000      -3.92375000      -0.61037583       0.32851048       1.05219028
O       -0.69340000       2.99033000      -5.88042000      -0.96832690       0.08102502       0.36648520
O       -2.14798000       1.84761000      -3.60137000      -0.46685124      -0.11798598       0.00232031
O       -3.32196000       2.53287000      -7.64092000       0.78958845       0.81225099      -0.25373662
O       -4.06807000       0.82421000      -5.78413000      -0.65615951       0.17262377      -0.52505341
O       -5.10541000      -2.65446000      -5.08648000      -0.39346863       0.08584869      -1.39731450
Zn      -2.25760000      -1.10073000      -1.89749000       0.50141319      -0.40938022      -0.74393266
Zn      -0.98777000       0.46929000      -4.32615000      -0.18311044       0.13565379       0.74326680
Zn      -0.71093000      -1.63171000      -6.56319000       0.50723231       0.68832942      -0.03461005
Zn      -3.15055000      -2.42001000      -4.68705000       0.12237897      -1.50010719      -0.39988282
Zn      -3.79159000       0.52059000      -3.91588000       0.00205888       0.17123459       1.04260852
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.99560298 magmom=5.75e-05 free_energy=-69.99560298 stress="0.024317581753593394 0.0029727348334553853 -0.01169069484402253 0.0029727348334553853 -0.0011161579920614955 -0.0006677213211773263 -0.01169069484402253 -0.0006677213211773263 0.012211369923891978" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29492000       2.29718000      -6.50681000      -0.42122971       0.24540608      -0.67933256
O       -0.43853000      -0.06693000      -2.23340000       1.04050890       0.45154009      -0.01886863
O        0.31575000      -0.01901000      -5.59986000      -1.39208859      -0.70468116      -0.82129632
O       -2.45500000      -0.87894000      -3.87085000       0.16555866      -0.83176554       0.50325854
O       -0.88407000       3.04528000      -5.90833000       0.33808829       0.30636296      -0.24254967
O       -3.32911000      -4.14970000      -3.57739000       0.31228409       0.39910718      -0.98034527
O       -3.21513000       2.54026000      -7.78406000      -0.44752286      -0.15182426       0.61143496
O       -4.09339000       0.89529000      -5.67680000      -0.01817540      -1.25979666      -1.04840340
O       -5.08175000      -2.69637000      -5.32553000       0.01216514       1.52625789      -0.05467682
Zn      -2.28761000      -1.08024000      -1.92730000       0.50261218      -0.21598633       1.04713204
Zn      -1.04970000       0.37081000      -4.32640000       1.06405807       0.74720819       0.22209085
Zn      -0.63818000      -1.61223000      -6.56518000       0.40042736       0.43475525       1.21804804
Zn      -3.25725000      -2.33522000      -4.63920000       0.19107823      -2.34698461      -0.78629609
Zn      -3.70471000       0.51345000      -3.82125000      -1.74776436       1.40040092       1.02980433
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.3089655 magmom=0.0002772 free_energy=-70.3089655 stress="0.023676542266019812 -0.00570696033214767 -0.009631546403601098 -0.00570696033214767 0.0357338281851928 0.002237653204682189 -0.009631546403601098 0.002237653204682189 0.01363635432346461" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24118000       2.23943000      -6.62714000      -0.51069105       0.68314180       2.25110257
O       -0.36820000      -0.01498000      -2.23280000      -0.37404916       0.16184868      -0.90856214
O        0.28465000      -0.07832000      -5.67750000      -1.06730749       0.22890756       0.37977493
O       -2.48125000      -0.97279000      -3.73507000      -0.16322087       0.27028033      -1.13267512
O       -0.98275000       3.15676000      -5.99267000       1.29391980      -0.09377498      -0.74850286
O       -3.36655000      -4.08655000      -3.66262000       0.74245883      -0.62997691       0.25898760
O       -3.16813000       2.52449000      -7.85041000      -0.20543568      -0.55239194      -0.65189361
O       -4.12510000       0.76360000      -5.81757000       0.45561091       1.02472128      -0.36130974
O       -5.06713000      -2.48913000      -5.63051000       0.14303797      -0.89715273      -0.14927283
Zn      -2.28705000      -1.07351000      -1.89687000       0.32164047       0.17846594       1.92040980
Zn      -1.06182000       0.31830000      -4.30676000       0.50278408       0.38142448       0.19260929
Zn      -0.55182000      -1.56932000      -6.51075000      -0.77839466      -0.59397974      -0.23389383
Zn      -3.34938000      -2.38117000      -4.63839000       0.41345983      -0.94996790      -0.84023368
Zn      -3.70729000       0.57560000      -3.67847000      -0.77381299       0.78845413       0.02345960
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.36207998 magmom=-0.000498 free_energy=-70.36207998 stress="0.02360253574360483 -0.011661329723230475 -0.003378338998166962 -0.011661329723230475 0.008213541821268848 0.0005307857254685014 -0.003378338998166962 0.0005307857254685014 0.007265112902588674" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22761000       2.23810000      -6.66168000      -0.42371111       1.21284598      -2.27855008
O       -0.33634000       0.06624000      -2.39976000       0.24989800      -0.52549282       0.57019282
O        0.05543000      -0.06192000      -5.67895000       1.14833080       0.39886523       0.09444100
O       -2.53199000      -1.03272000      -3.78507000      -0.34698303       0.48866204       0.18251889
O       -0.84381000       3.23491000      -6.21414000      -0.90511043      -0.76224584       0.46332614
O       -2.19385000       1.86398000      -3.65318000       0.04376903      -0.16668192      -0.13116173
O       -3.20276000       2.37999000      -7.99955000      -0.55208555      -0.28728174       0.23241323
O       -4.06225000       0.75650000      -6.00153000       0.09201880       0.20216687       0.94220819
O       -4.99102000      -2.38073000      -5.88072000       0.45877842      -0.33971674       1.29013652
Zn      -2.26840000      -1.05502000      -1.78080000       0.13156486       0.69858063      -0.94322008
Zn      -1.04851000       0.28995000      -4.27038000      -1.14701235       0.13346128       1.05585182
Zn      -0.50785000      -1.56712000      -6.47215000      -0.36378936      -0.77864667      -1.23976105
Zn      -3.41342000      -2.48105000      -4.68546000       1.18275147       0.20071383      -0.52706449
Zn      -3.75539000       0.68028000      -3.52948000       0.43158045      -0.47523015       0.28866881
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.12821931 magmom=-0.0001955 free_energy=-70.12821931 stress="0.00212184496756826 0.007655636950859694 -0.005138512741428713 0.007655636950859694 0.01348414961217739 0.010011817044234827 -0.005138512741428713 0.010011817044234827 0.004248310374546192" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22990000       2.29878000      -6.78517000       1.68156582      -0.96104907       1.07674220
O       -0.31427000       0.04624000      -2.44256000      -1.16778371      -0.02058024       0.95929214
O        0.05137000      -0.01385000      -5.65233000       0.38214464      -1.00693545      -0.05002231
O       -2.64730000      -0.99229000      -3.81603000      -0.04140949      -0.16647416       0.37005604
O       -0.87476000       3.18782000      -6.32534000      -0.78136148       0.72011743       1.23482964
O       -2.09310000       1.80157000      -3.70963000      -0.71069306       1.07296615       0.58376343
O       -3.29931000       2.21047000      -8.15342000       0.48948640       0.90074104      -0.28721914
O       -3.98844000       0.86004000      -6.00506000      -0.46095541       1.09045321       0.08326524
O       -4.85373000      -2.38681000      -5.89690000      -0.95622301      -0.47350092      -0.82280249
Zn      -2.24191000      -1.00558000      -1.71556000       0.17004200      -0.58822604      -1.50735422
Zn      -1.09154000       0.26461000      -4.19420000      -0.60790665      -0.85307085      -0.86367918
Zn      -2.72815000      -4.17174000      -1.66155000      -0.03003634       0.67006801      -0.68765125
Zn      -3.40562000      -2.56556000      -4.75444000       1.90889908       0.84586364       0.66449482
Zn      -3.78410000       0.75141000      -3.38269000       0.12423121      -1.23037276      -0.75371492
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.05119724 magmom=-0.0002346 free_energy=-70.05119724 stress="0.024733990763273535 -0.0014914680123136648 -0.008804115667944716 -0.0014914680123136648 0.015401275739299565 0.006100968253499559 -0.008804115667944716 0.006100968253499559 0.01593257311247866" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17057000       2.33207000      -6.90918000      -1.93092407      -0.40577281       0.73715624
O       -0.46830000      -0.00072000      -2.24205000       0.94518064       0.28219469      -0.27618158
O        0.15339000      -0.13337000      -5.63257000      -0.86447781       1.10981962       0.61357766
O       -2.78330000      -0.96475000      -3.75331000       0.52591063       0.02496742       0.33920518
O       -1.07355000       3.23400000      -6.18375000       1.85777449      -0.11160828      -0.82771079
O       -2.13455000       1.90214000      -3.63143000      -0.41209179      -0.99388101       0.64819455
O       -3.31341000       2.22516000      -8.36219000      -0.13161234       0.70873282       1.00877857
O       -3.97197000       1.08506000      -5.90980000       0.35750697      -0.86467614      -0.34406303
O       -4.84289000      -2.42656000      -6.00190000       0.08873409       1.10331035      -0.34932977
Zn      -2.20401000      -0.97903000      -1.73129000      -0.25473322      -1.30025728      -0.16068883
Zn      -1.18238000       0.19288000      -4.14751000       0.31987877      -0.43243485      -1.16946922
Zn      -2.71047000      -4.17530000      -1.73846000      -0.26078106       0.06553911      -0.30151323
Zn      -3.29233000      -2.60045000      -4.80075000      -0.06514700       1.57083180       1.15388032
Zn      -3.80775000       0.75775000      -3.26137000      -0.17521830      -0.75676544      -1.07183606
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.96843853 magmom=-0.0002691 free_energy=-69.96843853 stress="0.01108375630342989 -0.004340078159752411 -0.003344364822477879 -0.004340078159752411 0.027799573911995012 0.004169700614320686 -0.003344364822477879 0.004169700614320686 0.008451453406702962" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20480000       2.35323000      -6.96370000      -0.87046893       1.33176668       2.19163232
O       -0.49310000       0.01889000      -2.08768000       1.00077528       0.07849728      -1.25059831
O        0.07379000      -0.07635000      -5.49786000      -0.72725812      -0.05214056      -0.70652925
O       -2.82266000      -0.95909000      -3.61366000       0.36121685      -0.82405478      -0.65231220
O       -1.98470000      -2.72939000      -6.22965000       0.09836996      -0.76302456       0.53570079
O       -3.35384000      -4.13225000      -3.55458000       0.07804279       0.53098139      -2.53708610
O       -3.33962000       2.40995000      -8.41988000      -0.43076321      -0.27422391       0.70523042
O       -3.88262000       1.17054000      -5.88731000       0.39375862      -0.25094909      -0.97379382
O       -4.82742000      -2.27359000      -6.22663000       0.29227275      -0.36993630       0.05020746
Zn      -2.17510000      -1.02999000      -1.76139000      -0.19461821      -1.13978350       1.11622092
Zn      -1.27248000       0.08206000      -4.16321000       0.25952301       0.43092819      -0.48879071
Zn      -2.69667000      -4.16346000      -1.82944000       1.07841043       1.20831163       1.89806221
Zn      -3.15998000      -2.55503000      -4.77847000      -0.61619282       0.17970268       0.93168057
Zn      -1.61071000       3.29100000      -8.02390000      -0.72306841      -0.08607514      -0.81962429
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.92716944 magmom=-0.0002607 free_energy=-69.92716944 stress="0.008571840702021058 -0.008328699780512988 0.010750891772093945 -0.008328699780512988 0.01345153951830777 -0.004256595765699492 0.010750891772093945 -0.004256595765699492 -0.0014709220690183726" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26310000       2.45272000      -6.89048000       2.62688729       0.50546527       0.39475796
O       -0.44135000       0.06966000      -2.18419000      -1.16676425      -0.08636596      -0.49183737
O       -0.12971000      -0.02619000      -5.51478000       0.79786340      -1.28426182      -0.70804701
O       -2.77946000      -1.07901000      -3.57045000      -0.17262847       0.82110260       0.22275126
O       -0.67990000       3.17193000      -6.10486000      -1.14268935       0.25913768       0.35671834
O       -2.42453000       1.88988000      -3.72072000       0.51088046      -0.93414629       0.96182659
O       -3.45970000       2.54612000      -8.36361000      -0.26880819      -0.70473484      -0.65174819
O       -3.70171000       1.16107000      -6.03838000      -0.61103464       0.77948639      -0.47011575
O       -4.73917000      -2.10667000      -6.39809000      -0.08793234      -0.41497986       1.61461420
Zn      -2.15661000      -1.14205000      -1.73859000       0.20466778       0.76517107       0.49821712
Zn      -1.36231000      -0.01108000      -4.20324000      -0.44642204       1.25976893       0.30285968
Zn      -2.64020000      -4.09255000      -1.85054000      -0.38172281      -0.07021924      -0.38691990
Zn      -3.06076000      -2.49482000      -4.70387000      -0.35056070      -1.14190169      -1.46524363
Zn      -1.68456000       3.24100000      -7.99104000       0.48826385       0.24647775      -0.17783330
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.73843171 magmom=-0.0002666 free_energy=-69.73843171 stress="0.034362255493723404 -0.005677179133632756 0.01252819300282727 -0.005677179133632756 0.0074221308347779385 -0.004802854647921224 0.01252819300282727 -0.004802854647921224 -0.00011815369637928999" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20198000       2.58550000      -6.83426000      -1.52660220       0.02444492      -1.93376144
O       -0.52305000       0.10173000      -2.34630000       1.98134919       0.15796108       0.96337511
O       -0.17192000      -0.17121000      -5.60024000       0.48263154       1.11900679       1.65309152
O       -2.80546000      -1.07142000      -3.51070000      -0.97134908      -0.21621248       0.06238658
O       -0.69137000       3.11379000      -5.98416000       0.02757398       0.28275743      -1.00013083
O       -2.44129000       1.75876000      -3.79701000       0.30298048       0.06264253       1.03040451
O       -3.60026000       2.54808000      -8.40892000       0.57659927       0.66713349       0.41937694
O       -3.63113000       1.22176000      -6.19876000      -0.37147808       0.06178313       0.60137901
O       -4.65715000      -2.02928000      -6.21340000      -0.08518492      -0.74503036       0.54417350
Zn      -2.12891000      -1.19793000      -1.68833000       0.26073646       1.45561592       0.40035619
Zn      -1.44802000      -0.02279000      -4.23278000       0.84204161       1.37356449      -0.45966696
Zn      -2.60907000      -4.05438000      -1.89254000      -1.17193152      -3.21194519      -2.10603553
Zn      -2.99827000      -2.49925000      -4.70267000      -0.90781804      -1.03856727      -0.23812581
Zn      -1.72812000       3.20709000      -7.97545000       0.56045130       0.00684551       0.06317722
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.92047135 magmom=-0.0009864 free_energy=-69.92047135 stress="-0.008350853929774183 0.005715324079206536 0.010302036739094576 0.005715324079206536 0.02221428647000764 0.0025268060758361056 0.010302036739094576 0.0025268060758361056 0.010370865779893422" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.19381000       2.72102000      -6.87493000       3.19047800      -1.36244757       1.63590245
O       -0.29918000       0.16799000      -2.32494000      -3.17159034       0.10093095       0.28545568
O       -0.08830000      -0.21841000      -5.45234000       0.17305553      -0.35754526      -1.48118631
O       -2.98591000      -1.08937000      -3.43283000       1.33857752      -0.70505457      -0.56061667
O       -0.70820000       3.12836000      -6.06387000       0.07927899      -0.11298043       0.05186973
O       -2.38246000       1.64200000      -3.64588000      -0.02900320       1.33569811      -1.10392068
O       -3.59193000       2.70030000      -8.44029000       0.96377579       1.20138498      -0.01016908
O       -3.66842000       1.31347000      -6.24388000      -0.49858310       0.23497090      -0.10637514
O       -4.61465000      -2.12046000      -5.87827000      -0.72899087      -0.26573280      -1.11881028
Zn      -2.08877000      -1.17351000      -1.61589000      -0.41847301      -0.01776217       0.22034607
Zn      -1.50077000       0.03786000      -4.28167000      -0.02245145      -0.37831293      -0.11954968
Zn      -2.64015000      -4.16095000      -2.02304000       0.06400708       0.60573937       1.79970131
Zn      -2.98981000      -2.56414000      -4.72364000      -0.90783238      -0.21745800       0.50858894
Zn      -1.74405000       3.17307000      -7.95641000      -0.03224855      -0.06143058      -0.00123635
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.79020044 magmom=3.27e-05 free_energy=-69.79020044 stress="0.00885743757321465 0.0055284014602443015 -0.008854466521248093 0.0055284014602443015 0.006615745169660137 -0.004388464572956525 -0.008854466521248093 -0.004388464572956525 0.019869405742610622" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.10583000       2.79287000      -6.86594000      -3.25075624      -1.31658833      -0.31560721
O       -0.39941000       0.25355000      -2.20391000       1.97832680      -0.54230379      -0.25747316
O        0.01458000      -0.29640000      -5.54061000      -1.12093118       0.34040627      -0.21343772
O       -2.92795000      -1.21634000      -3.46188000       1.14629146       1.20289017      -0.10755877
O       -0.74221000       3.12167000      -6.15271000      -0.88873592      -0.08197957       0.45670339
O       -2.36069000       1.76950000      -3.74619000      -0.57176838      -1.23807036      -0.18890500
O       -3.44055000       3.11484000      -8.44826000      -1.80064209       0.04645861       0.97790563
O       -3.76224000       1.34191000      -6.26255000       0.45733778      -0.36103134      -0.75195557
O       -4.70369000      -2.23108000      -5.72134000      -0.10794609       1.15648580      -0.34618653
Zn      -2.06192000      -1.14371000      -1.52780000       0.00651031      -0.69482162      -0.37002051
Zn      -1.54443000       0.08656000      -4.34317000       0.85313771      -0.93512859      -0.43956280
Zn      -2.66736000      -4.25351000      -2.06934000       0.49921454       1.85567027       1.78871235
Zn      -3.02854000      -2.64816000      -4.71913000       0.13779283       0.75482616      -0.18717988
Zn      -1.73539000       3.13235000      -7.93487000       2.66216846      -0.18681366      -0.04543422
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.09629473 magmom=4.46e-05 free_energy=-70.09629473 stress="-0.006417918784051202 -0.004833417270895681 0.011153912576178319 -0.004833417270895681 0.013048239475346612 0.00019838041316649327 0.011153912576178319 0.00019838041316649327 0.01070407097903897" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.17379000       2.79447000      -6.84925000       1.68582868       0.66868025       1.37086893
O       -0.29292000       0.25352000      -2.13355000      -3.12486569      -0.21950740      -0.40352334
O       -0.09868000      -0.29938000      -5.67868000      -0.28274909       0.65330912       0.87518439
O       -2.62388000      -1.14356000      -3.52314000      -0.66454176      -0.78014983       0.37914293
O       -0.88420000       3.09081000      -6.14654000       1.37776794      -0.14817414       0.15422806
O       -2.47477000       1.64636000      -3.91336000       0.63068348       0.32651903       1.37104385
O       -3.53997000       3.54563000      -8.25373000       0.63753189      -1.07035480       0.16295555
O       -3.74561000       1.27790000      -6.42862000       0.63420009       0.53638967      -0.70232321
O       -4.83462000      -2.15289000      -5.68234000       0.10639431      -0.69540532      -0.27965740
Zn       0.19894000       1.42871000      -6.29867000      -0.01372387       0.26903114      -1.00025649
Zn      -1.54240000       0.08427000      -4.43266000       1.43501613      -0.54625825      -1.17700011
Zn      -2.66709000      -4.25771000      -2.01265000      -0.48540778      -0.02083524      -0.36324137
Zn      -3.07002000      -2.68091000      -4.71820000      -0.79738350       1.19427869       0.66957396
Zn      -1.62255000       3.08295000      -7.92757000      -1.13875084      -0.16752292      -1.05699574
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.06387531 magmom=-0.0004222 free_energy=-70.06387531 stress="0.012377418626978883 -0.0049984306948638755 0.02042969286598143 -0.0049984306948638755 0.012786328875383876 0.0013776670944666929 0.02042969286598143 0.0013776670944666929 -0.008682590670343153" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.23069000       2.82147000      -6.78628000      -1.21494945      -0.43906107      -0.65770738
O       -0.50853000       0.18714000      -2.14266000       2.24729704      -0.25939344       0.10855705
O       -0.21505000      -0.21423000      -5.69449000       2.03484756      -0.82670287      -1.13318274
O       -2.49039000      -1.20906000      -3.50732000      -1.20838777      -0.21928309      -0.25050558
O       -0.80967000       3.05251000      -6.08960000      -0.54987498       0.40145464       0.37863046
O       -2.44809000       1.58427000      -3.80995000       0.89105407       1.20039841      -0.08520579
O       -3.54617000       3.70134000      -8.04590000       0.42175133      -1.01684550      -0.66691070
O       -3.59449000       1.30533000      -6.70517000      -0.20611212       1.20584840       0.25249522
O       -4.90663000      -2.15824000      -5.62466000       0.10237633      -0.60541925       1.06595186
Zn       0.22415000       1.44207000      -6.29585000       0.65271303       0.72484451      -1.26784249
Zn      -1.48423000       0.05695000      -4.55183000      -1.63234571       0.19254348       2.01559158
Zn      -2.68867000      -4.24876000      -1.97137000      -0.41269053       0.04819575      -0.33486831
Zn      -3.13534000      -2.64436000      -4.69288000      -0.04068532       0.05961216       0.43572008
Zn      -3.80610000       0.44912000      -3.12558000      -1.08499348      -0.46619212       0.13927673
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.98532844 magmom=-0.0002731 free_energy=-69.98532844 stress="0.011114452089001548 -0.00908985825965187 -0.014398542164771553 -0.00908985825965187 -0.0033023246009907074 0.00853261705514958 -0.014398542164771553 0.00853261705514958 0.008463807494100715" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31433000       2.85279000      -6.75086000       4.22237468       0.57403129      -0.12476363
O       -0.41664000       0.07676000      -2.14724000      -1.75393044      -0.02874271      -0.33253951
O        0.00282000      -0.23899000      -5.79253000      -0.36648912       0.43687461       1.58378402
O       -2.61471000      -1.27875000      -3.49849000       0.15283524       2.36427608      -0.07201310
O       -0.79183000       3.08573000      -5.97644000      -0.12259637      -0.00796361      -0.68449483
O       -2.25081000       1.72200000      -3.70532000      -0.42419316      -1.99293663      -0.51902102
O       -3.45832000       3.64552000      -7.99427000      -0.51168971       0.62401798      -0.34187623
O       -3.46566000       1.48899000      -6.89726000      -0.38924084      -1.11119022       1.21696464
O       -4.97776000      -2.32829000      -5.39866000      -0.81262630      -0.51567647      -0.75089065
Zn      -1.96051000      -1.07907000      -1.52635000      -0.02014367       0.09362149      -0.41622807
Zn      -1.47652000       0.03600000      -4.59187000       0.21128502       0.04076242       0.68764353
Zn      -2.73314000      -4.24827000      -1.95502000      -0.11747225      -0.34890526      -0.05595198
Zn      -3.20908000      -2.60284000      -4.65136000       0.05416792      -0.48690993      -0.65596411
Zn      -3.81635000       0.36961000      -3.15574000      -0.12228100       0.35874097       0.46535095
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.69774442 magmom=-0.0001933 free_energy=-69.69774442 stress="0.024846818617364763 0.005576756959253715 -0.000959108402937944 0.005576756959253715 0.004525748413667028 0.00359946521196922 -0.000959108402937944 0.00359946521196922 0.02458413488790811" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21404000       2.88826000      -6.75016000      -0.86472432      -2.41322368      -0.26203202
O       -0.40608000       0.00685000      -2.20872000       1.88072600       1.07129380      -0.21023808
O        0.18774000      -0.21626000      -5.63508000      -1.40949277       0.08522084      -0.46977252
O       -2.74201000      -0.98206000      -3.56737000       0.98613455      -3.53838335      -1.02224987
O       -0.84479000       3.13958000      -5.97706000      -0.33772581      -0.14604031      -0.17452970
O       -2.13595000       1.54547000      -3.73171000      -0.92080567       1.93741465      -0.16261432
O       -3.44492000       3.70742000      -8.02621000       0.00157101       0.45097820       0.63670564
O       -3.40247000       1.46892000      -6.82903000      -0.46712882       0.20128198       0.55438109
O       -5.18510000      -2.59929000      -5.22448000       0.60912216       0.57166859      -0.77916361
Zn      -1.90069000      -1.02194000      -1.62412000      -0.63863736      -1.28759413       0.72082011
Zn      -1.46041000       0.01682000      -4.58596000       1.99802296      -0.11563216      -0.68605730
Zn      -2.78193000      -4.25562000      -1.93401000       0.82207884       1.01853400       0.58566311
Zn      -3.28110000      -2.58518000      -4.62890000       0.54415170      -0.79688992       0.34538314
Zn      -3.85104000       0.31819000      -3.15943000      -2.20329244       2.96137150       0.92370432
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.54992318 magmom=-0.0006914 free_energy=-69.54992318 stress="0.011063981960458777 -0.0037173734610021344 -0.002775219755597123 -0.0037173734610021344 0.020506293709113648 -0.00927796571677449 -0.002775219755597123 -0.00927796571677449 0.02640752884589839" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.11098000       2.79854000      -6.75247000      -0.19775577       0.04206967       1.12902169
O       -0.19465000       0.10984000      -2.34728000      -2.53797963      -0.61898333      -0.48427941
O        0.13343000      -0.16170000      -5.55639000       1.10658033      -0.06527605      -2.29698667
O       -2.74761000      -1.13168000      -3.79248000       0.48924369       2.27535057       1.78076661
O       -0.94033000       3.15386000      -6.06680000       0.89842395      -0.54676367      -0.54127949
O       -2.21316000       1.63254000      -3.80678000      -0.13858491      -0.89936909       1.26921885
O       -3.44625000       3.88783000      -7.92703000       0.14041052      -0.85966007       0.87134796
O       -3.38078000       1.35888000      -6.61981000       0.45605592      -0.32205766      -0.88885954
O       -5.29270000      -2.76743000      -5.21696000       0.81643677       1.15846513      -0.46806752
Zn      -1.86393000      -1.01806000      -1.70605000      -0.60236515      -0.37412380       0.07798255
Zn      -1.35147000      -0.00308000      -4.59651000      -1.69005041       0.87852517       1.55808966
Zn      -2.79725000      -4.21136000      -1.87873000       0.23559083       0.48480976      -0.50531591
Zn      -3.34192000      -2.61984000      -4.59386000      -0.29878182      -1.57896108      -0.96343434
Zn      -1.73773000       2.96644000      -7.95927000       1.32277566       0.42597444      -0.53820445
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.50347402 magmom=-4.9e-06 free_energy=-69.50347402 stress="0.04236799491937762 -0.010893500893356688 -0.004917722039949517 -0.010893500893356688 0.02675340884614661 0.011551028263512658 -0.004917722039949517 0.011551028263512658 0.011221203727853074" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.07836000       2.66767000      -6.71531000      -3.13527058      -0.03723163       0.38192412
O       -0.27673000       0.12723000      -2.54147000       1.50278120      -0.67132636       1.04384166
O        0.18441000      -0.11320000      -5.86364000      -0.47118082      -0.28450885       1.53383454
O       -2.68185000      -1.04612000      -3.75456000      -0.86111307      -0.55690864      -0.18469474
O       -0.87079000       3.06138000      -6.22138000       0.18103883       0.00689894       1.75128160
O       -2.35805000       1.62623000      -3.63970000       0.28848809      -0.18574049      -0.54044889
O       -3.42890000       3.92388000      -7.64802000      -0.33894489      -0.46647469      -0.40250692
O       -3.28616000       1.21433000      -6.56853000      -0.57368061       1.20293992      -0.69558655
O       -5.23773000      -2.67987000      -5.25974000      -0.32778677      -0.21378306      -0.47834117
Zn      -1.85764000      -1.03416000      -1.79204000      -0.35178281       0.88160429      -0.90761552
Zn      -1.28343000       0.01598000      -4.54597000       0.02883991       0.82730969       0.38143309
Zn      -2.79849000      -4.14070000      -1.84715000      -0.39688466      -0.94404970      -0.87593173
Zn      -3.40226000      -2.71661000      -4.59337000       1.66307094       0.78730393       0.06233841
Zn      -1.80731000       3.08590000      -7.94543000       2.79242525      -0.34603334      -1.06952789
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.63212304 magmom=-0.0013697 free_energy=-69.63212304 stress="0.012098491806927757 -0.011006361852412322 -0.015584301834046585 -0.011006361852412322 0.014052945809905555 0.012498159116815394 -0.015584301834046585 0.012498159116815394 -0.003938143290874814" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21693000       2.56884000      -6.66711000       3.01451778       1.86528610       0.64939492
O       -0.19642000      -0.01985000      -2.55558000      -2.63965486      -0.66740555      -0.65320136
O        0.17873000      -0.10853000      -5.89315000      -0.52887711       0.23901814       1.57253670
O       -2.76016000      -1.00577000      -3.73038000      -0.25461703      -0.72781977      -0.76585727
O       -0.75946000       2.98572000      -6.03930000      -0.38369364       0.75705449       0.58528732
O       -2.40368000       1.57368000      -3.58458000       1.24317468       0.74701388      -0.98056413
O       -3.44559000       3.83328000      -7.48606000       0.16857467      -0.52115666      -1.44888815
O       -3.27735000       1.23697000      -6.66843000      -0.49906860      -0.07480802       0.12445913
O       -5.24842000      -2.61703000      -5.29390000      -0.67667768      -0.95104807       1.01894576
Zn      -1.87305000      -1.01453000      -1.91368000      -0.57707355      -0.36580965       0.08127289
Zn      -1.23476000       0.07808000      -4.46934000      -0.08440309       0.22083173      -0.40260332
Zn      -2.82132000      -4.12076000      -1.86000000      -0.54381554      -0.82248599       0.13922337
Zn      -3.38172000      -2.77669000      -4.59983000       1.29139168       1.19001605      -0.23165924
Zn      -1.73873000       3.18048000      -7.97956000       0.47022230      -0.88868668       0.31165338
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.59707827 magmom=-0.0001816 free_energy=-69.59707827 stress="0.02074123034787951 -0.002417537935403133 0.0092817543128139 -0.002417537935403133 0.014440052469650917 0.01722704883573845 0.0092817543128139 0.01722704883573845 0.02156104496940616" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26739000       2.57841000      -6.61545000      -0.63803038      -0.15258669      -0.85718055
O       -0.35848000      -0.26963000      -2.57815000       2.62745183       1.25468982       0.74833751
O        0.07645000      -0.08475000      -5.64277000       0.68339993      -0.26804002      -2.43958503
O       -2.91630000      -1.08619000      -3.83781000       0.36573322       1.55496175       0.90198035
O       -1.76153000      -2.95557000      -5.81844000       0.48144515       0.02070460      -1.92011044
O       -2.23745000       1.61754000      -3.69696000      -0.33108069      -0.74933196       1.20575003
O       -3.44107000       3.65578000      -7.61652000      -0.21323011       0.20368566      -0.01281595
O       -3.36349000       1.24123000      -6.73238000      -0.39100933       0.01964733       0.86114887
O       -5.38599000      -2.74931000      -5.14099000       0.39129443      -0.93299930      -1.03854556
Zn      -1.93024000      -1.01346000      -2.02498000      -2.23170536      -1.80581024       1.87852035
Zn      -1.19472000       0.15439000      -4.40850000      -0.99766389      -0.18960069       0.28637412
Zn      -2.87042000      -4.14293000      -1.86319000       0.23221169       0.51001107       1.28362657
Zn      -3.28941000      -2.76305000      -4.62140000       0.01003425       1.40571926      -0.82933907
Zn      -1.62399000       3.22691000      -8.00871000       0.01114926      -0.87105059      -0.06816120
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.8736286 magmom=2.14e-05 free_energy=-69.8736286 stress="0.01094512869701213 -0.004783788666303824 -0.009327725043533477 -0.004783788666303824 -0.012396804111448436 -0.0027480182102529904 -0.009327725043533477 -0.0027480182102529904 0.00866736694301912" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.30323000       2.58333000      -6.62828000       2.91558078      -1.18501139      -0.18997066
O       -0.23972000      -0.30632000      -2.49621000      -2.93657058      -0.07751412      -0.92124983
O        0.05745000      -0.09041000      -5.79773000      -0.32517250       0.36583544       0.50639182
O       -2.97327000      -0.93135000      -3.80225000       1.07758035      -1.22304997      -0.51048766
O       -1.65590000      -2.90787000      -5.89898000      -1.23328063      -1.17651717      -0.22930080
O       -2.13471000       1.61292000      -3.60127000      -0.27416611       1.63275599      -0.35729016
O       -3.44834000       3.53951000      -7.76539000       0.31122737       0.33075764       0.73663445
O       -3.48532000       1.19198000      -6.61991000       0.32049653      -0.22744159       0.18183804
O       -5.43415000      -2.99680000      -5.09887000       0.69378894       0.96337932       0.10757903
Zn      -2.07318000      -1.09344000      -2.03670000      -0.04908999      -0.31858202       1.03835129
Zn      -1.18808000       0.20375000      -4.35813000       0.95499629      -0.85228065      -1.02148355
Zn      -2.89973000      -4.13622000      -1.80470000       0.93492114       0.88553599       0.56441960
Zn      -3.20047000      -2.68100000      -4.67827000      -0.17143937       0.18983867      -0.05052138
Zn      -3.77519000       0.65455000      -3.19812000      -2.21887223       0.69229386       0.14508983
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.17466834 magmom=-0.0004014 free_energy=-70.17466834 stress="0.03749146020493473 0.00019885177193567998 -0.0011627493472410055 0.00019885177193567998 -0.013623503112348001 0.0017881041158680229 -0.0011627493472410055 0.0017881041158680229 0.011414425933183609" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.24367000       2.50043000      -6.66650000      -1.76216765      -1.56597509       1.16626651
O       -0.41721000      -0.26330000      -2.49905000       1.93235982       0.57563554       0.69364398
O        0.02460000      -0.06733000      -5.84226000       0.39975784      -0.45776358       2.50383861
O       -2.82394000      -0.93460000      -3.85220000       0.21234140       0.56038329      -0.37450163
O       -0.71127000       2.96757000      -6.01859000      -0.67485184       1.15992198      -0.17424894
O       -2.11937000       1.86612000      -3.56684000      -0.24820450      -1.27879150      -0.14496766
O       -3.40173000       3.50211000      -7.75347000      -0.23589039      -0.15850081       0.53389260
O       -3.52077000       1.05638000      -6.48118000       0.01900278       0.30348466      -0.90765376
O       -5.32473000      -3.04305000      -5.10704000       0.25802648       0.89135729      -1.61458801
Zn      -2.22163000      -1.18291000      -1.99593000       0.80081435       1.14472625      -0.92795634
Zn      -1.14747000       0.21458000      -4.34832000      -0.17609328       0.43321206       0.44942433
Zn      -0.65136000      -1.53123000      -6.55005000      -0.37466575      -1.91061438      -0.60273726
Zn      -3.12641000      -2.58843000      -4.73928000      -0.39096115      -0.18109954      -0.18482475
Zn      -3.78796000       0.68339000      -3.22130000       0.24053190       0.48402384      -0.41558767
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.34986817 magmom=-0.0002233 free_energy=-70.34986817 stress="0.0054593413338115794 -0.001511658545354802 0.007359108238711357 -0.001511658545354802 0.02537392613412425 -0.002766461850995448 0.007359108238711357 -0.002766461850995448 -0.00875863603164618" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25949000       2.34671000      -6.66542000       1.78333926       0.86073662       0.14633834
O       -0.34560000      -0.13047000      -2.39060000      -1.55702540      -0.38980678       0.08197318
O        0.11137000      -0.11081000      -5.53031000       0.99226736      -0.20355808      -2.36383476
O       -2.62666000      -0.88409000      -3.95927000      -1.00958254      -0.18176539       1.06323952
O       -0.95739000       3.00690000      -6.23417000       1.03787826       0.26330995       0.34236715
O       -3.21376000      -4.10848000      -3.64416000       0.20298860      -0.45559601       0.25764859
O       -3.39933000       3.42970000      -7.64041000      -0.26768534      -0.48798570      -1.05560681
O       -3.51334000       0.90573000      -6.51340000      -0.26666163       0.00012971      -0.28141132
O       -5.16673000      -2.87569000      -5.30761000      -0.10427440       0.09949819       1.11732421
Zn      -2.32159000      -1.22651000      -1.98678000       0.73325887      -0.36275485       0.15583195
Zn      -1.12495000       0.24942000      -4.30534000      -0.91628319       1.36940938       1.66301058
Zn      -0.64834000      -1.57556000      -6.48824000       0.33706835      -0.19502313      -0.51427684
Zn      -3.08141000      -2.51225000      -4.80373000      -1.07247605      -0.68591289       0.39413976
Zn      -3.80641000       0.74435000      -3.26480000       0.10718784       0.36931898      -1.00674355
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.34296762 magmom=-0.0002498 free_energy=-70.34296762 stress="0.035252824811410455 -0.009507813996433022 -0.002078862028542715 -0.009507813996433022 0.04431641333309861 0.007644136764325454 -0.002078862028542715 0.007644136764325454 0.01150076282526167" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21768000       2.27778000      -6.64029000      -0.87083583       1.82767828      -0.04775594
O       -0.43638000      -0.08675000      -2.23549000       1.17074725      -0.47324752       0.34538596
O        0.29076000      -0.16823000      -5.60445000      -1.73176449       0.38733056       0.01423025
O       -2.65882000      -0.87131000      -3.86836000      -0.56016926      -0.47369932      -0.02435718
O       -0.99008000       3.10300000      -6.31814000       0.39054225      -0.63709416       0.98260935
O       -2.13633000       1.84375000      -3.54351000       0.13874545       1.15052626      -0.64854924
O       -3.44552000       3.26129000      -7.76222000      -0.12831500      -0.59255209      -0.79414517
O       -3.55068000       0.77222000      -6.60294000      -0.45330755       0.97781138       0.38820075
O       -5.04097000      -2.74195000      -5.34287000      -0.18191675      -1.57689967      -0.28251327
Zn      -2.36561000      -1.27648000      -1.97564000       0.69264540      -0.03502204       0.45363268
Zn      -1.12885000       0.33833000      -4.20227000       1.33035398      -0.43799541      -0.56036423
Zn      -0.62716000      -1.63179000      -6.46223000       0.98568928       0.36184835      -0.00426771
Zn      -3.09748000      -2.47979000      -4.84165000      -0.61453279      -0.42838000       0.68965817
Zn      -3.81626000       0.81528000      -3.35546000      -0.16788193      -0.05030462      -0.51176442
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.36068706 magmom=-0.0003051 free_energy=-70.36068706 stress="0.02870590073086654 -0.004865125504145667 -0.015010487076007646 -0.004865125504145667 0.01584610235251287 0.0022557784223535713 -0.015010487076007646 0.0022557784223535713 0.01412189230966464" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20960000       2.32423000      -6.64864000      -0.05826425      -0.84523097      -2.45235179
O       -0.38666000      -0.14095000      -2.03534000      -0.68578449       0.30250075      -0.73088740
O        0.13624000      -0.15741000      -5.68023000      -0.52315133      -0.07545102       1.94937622
O       -2.83108000      -0.93888000      -3.75595000       0.68810477       1.09913938      -0.47433006
O       -0.90416000       3.07186000      -6.20852000       0.05741364      -0.05958758      -0.46438997
O       -3.15303000      -4.03315000      -3.68508000      -0.15490814      -1.20333859       0.83217765
O       -3.50929000       2.96840000      -8.07114000       0.21341187       0.61913634       0.78296048
O       -3.67841000       0.79192000      -6.59986000      -0.06386086       0.03302055       0.66881477
O       -4.95477000      -2.87688000      -5.33142000      -0.40071132       0.47221215       0.60531410
Zn      -2.37409000      -1.32310000      -1.94405000      -0.05934977       1.30144749      -0.48245293
Zn      -1.06637000       0.41522000      -4.11822000       0.29267534      -0.92432648      -0.53849897
Zn      -0.55657000      -1.67639000      -6.44233000      -0.12500075      -0.51409758      -0.46765063
Zn      -3.14934000      -2.47006000      -4.84142000       0.56388007       0.41220770       0.25909650
Zn      -3.83448000       0.88573000      -3.48009000       0.25554522      -0.61763214       0.51282204
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.74441889 magmom=-0.0002961 free_energy=-69.74441889 stress="0.02324314828748748 0.004134983168517348 0.006894745602069891 0.004134983168517348 0.026788708137913682 -0.012475059641065012 0.006894745602069891 -0.012475059641065012 0.023638056864847747" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21499000       2.34806000      -6.77493000      -0.71069886      -1.83019129       2.11427090
O       -0.44246000      -0.13941000      -1.98082000       0.50454777       0.54940161      -1.11998087
O       -0.16116000      -0.15154000      -5.44485000       1.66201732      -0.84314246      -3.02425343
O       -2.87527000      -0.81743000      -3.74905000       0.58449364      -0.69562568      -0.48880598
O       -0.82331000       3.01459000      -6.14636000      -1.00281669       0.32412605       0.43474629
O       -3.13157000      -4.08781000      -3.59983000      -0.21551550       0.39955336       0.38237844
O       -3.52217000       2.78765000      -8.25654000       0.47742858       1.06453457       0.78494287
O       -3.82415000       0.79909000      -6.46595000       0.01602594       0.23213153      -0.59731422
O       -4.96533000      -2.98736000      -5.29555000      -0.32188318       0.47215972      -1.46257388
Zn      -2.38147000      -1.31342000      -1.92669000      -0.23475703       0.22765172       0.16200413
Zn      -0.98640000       0.44777000      -4.04989000      -1.79697921       0.19225278       1.78396568
Zn      -0.47849000      -1.74351000      -6.44259000      -0.15767817       0.25611814       0.19874738
Zn      -3.17710000      -2.44078000      -4.82095000       0.95281324       0.22864135       0.41954806
Zn      -3.83949000       0.92774000      -3.59044000       0.24300214      -0.57761141       0.41232463
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.73451976 magmom=-0.0004143 free_energy=-69.73451976 stress="0.027693112191242382 0.005435635907389219 -0.010105172020245723 0.005435635907389219 0.013825624704809076 -0.01485891052892338 -0.010105172020245723 -0.01485891052892338 0.009416407138975024" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25622000       2.26762000      -6.83075000       0.04793138      -0.02866688      -0.23134305
O       -0.48215000      -0.02288000      -2.18216000       0.84082710      -0.62998746       0.95404491
O       -0.21928000      -0.22960000      -5.61373000       0.38172012       1.94374471       1.14729553
O       -2.77575000      -0.78619000      -3.84976000       0.18278477       0.00372661       0.72379469
O       -0.92082000       3.00135000      -6.00614000       0.80176971      -0.42574588      -0.71964865
O       -3.18483000      -4.08958000      -3.42559000      -0.81183445       1.00388366      -1.63827626
O       -3.42988000       2.83068000      -8.24015000      -0.27530463      -0.01300192       1.20229363
O       -3.97188000       0.73583000      -6.41386000       0.19075700      -0.45752651      -0.53293800
O       -5.02716000      -2.94338000      -5.50175000       0.67596314       0.95319727       0.53040431
Zn      -2.40894000      -1.27395000      -1.90436000      -0.69141190       0.26340910      -0.14391273
Zn      -0.96939000       0.47273000      -3.91423000      -0.54027091      -0.79719028      -3.31438472
Zn      -2.64067000      -4.39833000      -1.59395000      -1.12373767      -0.67562066       0.74842729
Zn      -3.15511000      -2.38812000      -4.77084000      -0.05944442      -0.43641271       0.61770518
Zn      -3.82918000       0.93693000      -3.69422000       0.38025076      -0.70380905       0.65653787
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.09550393 magmom=-0.0003079 free_energy=-69.09550393 stress="0.007718919749200225 0.007416685542488226 -0.005825878831847701 0.007416685542488226 0.0330323106222672 0.01158550104839977 -0.005825878831847701 0.01158550104839977 -0.0032118045371493167" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27830000       2.16530000      -6.85293000       2.17825329       1.55173272       2.22930754
O       -0.40509000       0.02141000      -2.24596000      -1.05603071      -0.26298651       0.89996674
O       -0.13856000      -0.09649000      -5.71174000      -0.07021384      -1.59763646       1.72080564
O       -2.59814000      -0.75166000      -3.82828000      -0.54865244       0.25002758       0.24153165
O       -0.89484000       2.92834000      -5.96088000       0.54940558       1.29794762       0.19549903
O       -3.40220000      -3.88914000      -3.50938000       0.52029916      -1.06948876       0.07967174
O       -3.33805000       2.90047000      -7.99999000       0.47334933      -0.60549652      -1.77981191
O       -4.10724000       0.56615000      -6.48041000       0.39575259       0.99899082       0.12730965
O       -4.96951000      -2.72581000      -5.71621000      -0.07248269      -1.54369104       0.63518729
Zn      -2.48340000      -1.20241000      -1.89173000      -0.19930111      -0.19662426      -1.05504226
Zn      -1.00553000       0.47436000      -3.91532000      -0.62942851       0.29551235      -3.76239615
Zn      -2.61214000      -4.51076000      -1.53503000      -1.31319566       1.82752248       0.47574449
Zn      -3.12839000      -2.34947000      -4.67768000      -0.17261228      -0.56828390      -0.55423970
Zn      -3.79496000       0.90707000      -3.78644000      -0.05514270      -0.37752612       0.54646625
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.05075023 magmom=-3.93e-05 free_energy=-69.05075023 stress="0.0070947717264306254 -0.011608377103089483 0.001475021130204723 -0.011608377103089483 0.032465290408511746 -0.0018607085082239145 0.001475021130204723 -0.0018607085082239145 0.004603003142261306" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.18628000       2.17212000      -6.78388000      -1.25658131       1.26737064      -1.72030960
O       -0.44965000      -0.01573000      -2.11649000       1.35964161       0.20508372      -0.86179290
O       -0.05803000      -0.15544000      -5.50948000       0.22749943       0.17297839      -1.76402449
O       -2.55779000      -0.69840000      -3.75433000      -1.02005387      -1.09753885      -0.60280600
O       -0.78058000       3.05642000      -5.88048000      -1.64104112      -0.98418447       0.66154482
O       -3.52663000      -3.88529000      -3.61218000       1.42333888      -0.83594496       0.69264287
O       -3.20136000       2.80883000      -8.04265000      -1.25161460      -1.23349459       0.16916867
O       -4.14181000       0.54241000      -6.50652000       0.88843331       1.05125697       0.73617164
O       -4.87307000      -2.73686000      -5.71460000       0.28213456      -0.40408035       1.42772576
Zn      -2.57007000      -1.15527000      -1.91749000       0.61349853      -1.38125804       1.31518446
Zn      -1.07272000       0.49160000      -4.11724000       0.08293126       0.62960106       0.52510950
Zn      -0.40465000      -1.95751000      -6.28313000       1.24712689       2.68469054      -0.10855888
Zn      -3.11084000      -2.33593000      -4.60581000       0.10053580      -0.05369807      -0.72294035
Zn      -3.76580000       0.85291000      -3.85139000      -1.05584937      -0.02078198       0.25288451
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.78226441 magmom=-9.9e-05 free_energy=-69.78226441 stress="0.005325615296857539 -0.0012491228332870705 0.0011140298746269161 -0.0012491228332870705 0.008578591237423704 -0.006107854941182276 0.0011140298746269161 -0.006107854941182276 0.01749275823660802" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.16002000       2.27354000      -6.77034000       0.50016515      -0.67751665       1.38896811
O       -0.29949000       0.00674000      -2.15891000      -1.17016125       0.91368043      -0.66349249
O        0.04808000      -0.17847000      -5.59152000      -0.21767076       1.36760263      -0.21024042
O       -2.69660000      -0.80307000      -3.76279000       0.76888230       1.03091162       0.74938646
O       -1.91292000      -2.95959000      -5.80801000       1.83841588      -1.17040959      -1.47752820
O       -3.35354000      -4.08892000      -3.56242000       0.63846217      -0.27221528       0.42045995
O       -3.24523000       2.51986000      -8.14617000       0.21210217       0.93194998      -0.30599220
O       -3.98703000       0.69077000      -6.37432000       0.28488435      -0.13845950       0.58585386
O       -4.75580000      -2.87939000      -5.47847000      -0.76972698       0.09761316      -1.10799064
Zn      -0.38251000       1.39185000      -6.72585000       0.54619019       0.05705863       0.61999798
Zn      -1.13523000       0.53759000      -4.30136000       0.05609377      -0.09296553       0.90855857
Zn      -0.40002000      -1.85620000      -6.20523000      -0.55218309      -0.59612633      -0.99067778
Zn      -3.10531000      -2.33764000      -4.57108000      -1.11047217      -1.75459832      -0.02319231
Zn      -3.79384000       0.79989000      -3.89853000      -1.02498173       0.30347476       0.10588912
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.43347726 magmom=-2.92e-05 free_energy=-69.43347726 stress="0.02655664061478733 0.005863389533988637 -0.0011596805906905917 0.005863389533988637 -0.010249771521319655 -0.005511357527855396 -0.0011596805906905917 -0.005511357527855396 0.019930403536943187" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.14312000       2.31396000      -6.73482000      -0.36434670      -1.11360505      -0.34203788
O       -0.27017000       0.16510000      -2.29442000       1.21133474      -0.39510655       0.49285237
O        0.09810000      -0.04198000      -5.70096000      -0.16028698      -1.60595994       1.28460163
O       -2.69052000      -0.78746000      -3.70444000       0.23427042      -0.64812003      -0.83294406
O       -0.67857000       2.90665000      -5.78224000      -0.58614202       1.88101083       1.50972773
O       -3.15409000      -4.22950000      -3.43722000      -1.56338849       1.58664090      -0.19920328
O       -3.29245000       2.45010000      -8.20921000      -0.06549979       0.92826640       1.03760997
O       -3.81964000       0.77028000      -6.16165000      -0.64086915      -0.08728304      -0.13127470
O       -4.76428000      -2.90627000      -5.40948000      -0.58846187       1.27162121      -0.65896327
Zn      -0.39166000       1.36917000      -6.68707000       0.55272039       0.38326429      -1.95280906
Zn      -1.17212000       0.56136000      -4.39925000       0.94827704      -1.00250065       0.71186695
Zn      -0.41136000      -1.79066000      -6.19173000      -0.24295037      -0.34616904      -1.02773839
Zn      -3.13424000      -2.41200000      -4.55027000       1.03511185      -1.03364042       0.05492609
Zn      -3.85967000       0.77258000      -3.92931000       0.23023094       0.18158109       0.05338591
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.00508918 magmom=3.87e-05 free_energy=-70.00508918 stress="0.007664639809728524 -0.006580191062041493 0.010918589513099455 -0.006580191062041493 0.0162577201863012 0.003988541891723003 0.010918589513099455 0.003988541891723003 0.018719975195383903" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.13202000       2.28721000      -6.69331000       0.28679484       1.33599999       1.18158443
O       -0.13329000       0.25299000      -2.34865000      -1.58287527      -0.57981103       0.03422317
O        0.10578000      -0.12794000      -5.57890000       0.29189962       1.01272410      -0.62421135
O       -2.61933000      -0.85179000      -3.78146000      -0.19408787       0.49703565       0.31494589
O       -1.66339000      -2.98612000      -5.65811000       0.08168286      -1.79371964      -0.71188119
O       -3.28445000      -4.08751000      -3.39509000      -0.60854648      -1.21267074      -0.60809612
O       -3.29958000       2.60809000      -8.09458000       0.81600860      -0.01989940      -0.00255626
O       -3.79765000       0.78674000      -5.97627000      -0.36681363       0.03391108      -0.36439823
O       -4.88631000      -2.65655000      -5.51316000       0.42602129      -0.02462609      -0.54492344
Zn      -0.36379000       1.37574000      -6.73476000       0.72801575       0.69698083       0.03955197
Zn      -1.16601000       0.53678000      -4.42991000      -0.68614780       0.19599511       2.24575255
Zn      -0.43655000      -1.75493000      -6.24284000       0.06117656      -0.34592310      -1.06321139
Zn      -3.11748000      -2.54458000      -4.53270000      -0.20318088       0.29486920      -0.08524018
Zn      -3.90809000       0.75747000      -3.95435000       0.95005241      -0.09086596       0.18846017
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.02391497 magmom=7.5e-06 free_energy=-70.02391497 stress="0.025224318458610732 -0.010987374750987254 0.009482818755908288 -0.010987374750987254 0.03480084296958429 -0.004019186478195301 0.009482818755908288 -0.004019186478195301 0.008423817670776488" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.12277000       2.34991000      -6.59924000      -1.94530598       2.35750606      -1.05554198
O       -0.22373000       0.18993000      -2.36833000       0.55309968      -0.58072654       0.44262135
O        0.15083000      -0.09461000      -5.55000000      -0.74791376       0.17608012      -1.12058930
O       -2.58866000      -0.86516000      -3.83830000      -0.58625968      -0.55818453       0.04983279
O       -0.48744000       2.84176000      -5.48297000       0.11582964      -0.05568159      -0.52525922
O       -3.59930000      -4.14819000      -3.45834000       1.34387758       0.06092202       0.74772568
O       -3.17797000       2.77106000      -7.89676000      -0.39040329      -1.21144165       0.05325730
O       -3.86613000       0.82888000      -5.87246000      -0.05685228       0.95525439      -1.04076292
O       -4.94408000      -2.33268000      -5.71839000       0.60845620      -1.01538062       1.12981636
Zn      -2.52524000      -1.14818000      -1.96357000       0.84852477      -0.20405951       0.68702572
Zn      -1.18440000       0.51041000      -4.34058000       0.43346437      -0.25043291       0.86559296
Zn      -0.46596000      -1.73393000      -6.35906000      -0.22657971      -0.24921638       0.14668680
Zn      -3.09684000      -2.67544000      -4.51942000       0.18552719       1.37276528      -0.49273114
Zn      -3.91073000       0.73427000      -3.97199000      -0.13546472      -0.79740413       0.11232561
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.22194218 magmom=-0.0004275 free_energy=-70.22194218 stress="0.02298105822541285 0.0018665114140205034 -0.006891821130485941 0.0018665114140205034 0.015137227391253668 0.00041604699590932896 -0.006891821130485941 0.00041604699590932896 0.0037107254423868826" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.21785000       2.54344000      -6.56063000       1.29428538       0.21477977      -0.48324447
O       -0.28976000       0.03585000      -2.33141000      -0.67837439       0.93029673      -0.40496880
O        0.05348000      -0.04095000      -5.72113000      -0.90303239      -1.06058738       0.65740820
O       -2.66444000      -0.95694000      -3.87842000       0.02537968       0.40598338      -0.08205903
O       -0.36315000       2.68358000      -5.46430000      -0.66632977       1.67826470       0.72603379
O       -3.61899000      -4.20533000      -3.37911000       0.92754894       0.30047751      -0.54732401
O       -3.09066000       2.70494000      -7.75855000      -0.97157023      -0.35171648      -0.42979561
O       -3.94337000       1.02772000      -5.93507000      -0.00724169      -0.01964022       0.82939123
O       -4.87037000      -2.19154000      -5.65786000      -0.36587925      -0.69142908       0.76135694
Zn      -2.41027000      -1.11407000      -2.00306000       0.22027250      -0.50783416      -0.23540130
Zn      -1.18243000       0.47309000      -4.20964000       0.96618047      -0.56009926      -0.87384598
Zn      -0.50688000      -1.72923000      -6.46226000      -0.35524361      -0.16566674       1.38198808
Zn      -3.07275000      -2.73062000      -4.53379000       0.52205815       0.44810385      -0.70816090
Zn      -3.92281000       0.66677000      -3.99118000      -0.00805378      -0.62093261      -0.59137812
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.27427996 magmom=0.0002704 free_energy=-70.27427998 stress="0.01730097184051982 0.004257711922293455 0.003222647673776367 0.004257711922293455 0.006620657942632738 0.008435848703903395 0.003222647673776367 0.008435848703903395 0.004709953985118093" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25789000       2.70419000      -6.55316000      -0.02115199      -1.81666869       0.89835951
O       -0.39748000       0.08692000      -2.33849000       0.99316564       0.86508554       0.59628223
O       -0.19235000      -0.11686000      -5.75076000       0.25249966       1.38471632       0.57771887
O       -2.72663000      -0.95636000      -3.90934000       0.33333572       0.43595434       0.54518641
O       -0.36240000       2.82694000      -5.37393000       0.52673377      -0.53545957      -1.25013872
O       -3.44578000      -4.18808000      -3.42854000      -0.86718982      -0.97832420      -0.88962186
O       -3.16829000       2.60613000      -7.78072000      -0.19660411       0.87395163      -0.62457263
O       -4.01946000       1.20774000      -5.85228000      -0.34202024       0.16271120       0.11774907
O       -4.86723000      -2.20728000      -5.45252000      -0.51301511      -0.19627253      -0.89134552
Zn      -2.30351000      -1.11073000      -2.02971000      -0.31601619      -0.12009868       1.34510754
Zn      -1.13417000       0.41565000      -4.14556000       0.32303957      -0.20667237      -1.45714897
Zn      -0.55919000      -1.74388000      -6.47538000      -0.56303587      -0.86658715       1.06443449
Zn      -3.03093000      -2.74673000      -4.58056000      -0.12539457       0.79920009      -0.26325581
Zn      -3.93948000       0.57444000      -4.03319000       0.51565353       0.19846408       0.23124539
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-70.25465405 magmom=-7.66e-05 free_energy=-70.25465405 stress="-0.00630819109378431 0.003928678036043903 0.006714516439909344 0.003928678036043903 -0.02905843914184271 0.013899717285151889 0.006714516439909344 0.013899717285151889 -0.006193940949559511" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27466000       2.73971000      -6.51726000       1.02228052      -0.12510359      -0.59903544
O       -0.35227000       0.33930000      -2.25541000      -0.55355749       0.22514507      -0.29219524
O       -0.34996000      -0.01030000      -5.73205000       1.04981865      -1.28603008      -1.60470202
O       -2.69004000      -0.91541000      -3.82874000       0.46602422      -1.51217896      -0.05255918
O       -0.31491000       2.85470000      -5.49316000      -0.96252471      -1.25453327       0.63869078
O       -2.38180000       1.67406000      -3.57500000      -0.01938118       0.93541645       0.84990229
O       -3.32148000       2.70123000      -7.91082000      -0.15641774       0.43326311       0.74770874
O       -4.15655000       1.33034000      -5.72240000      -0.14124519      -1.38016068      -0.74629759
O       -4.95025000      -2.20910000      -5.39245000       0.43879703       0.79127001      -0.45727519
Zn      -2.22268000      -1.11361000      -1.98719000      -0.52461373       0.04032428       0.55773374
Zn      -1.07346000       0.35254000      -4.15073000      -0.47444835       0.32894728       0.48182963
Zn      -0.63178000      -1.77911000      -6.43162000       0.27880022       2.26766465      -0.79894336
Zn      -2.99492000      -2.71989000      -4.64017000      -0.14016483       0.32788985       0.39599411
Zn      -3.93284000       0.49858000      -4.06006000      -0.28336742       0.20808588       0.87914873
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.87031276 magmom=0.0007167 free_energy=-69.87031276 stress="0.014849790885177296 -0.000996902063895102 0.006349992071985176 -0.000996902063895102 -0.016683625951708806 -0.016677972324085983 0.006349992071985176 -0.016677972324085983 0.00770923474955752" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.26095000       2.75281000      -6.49003000      -1.42097316       0.57746245       0.21478796
O       -0.33521000       0.67637000      -2.20177000       0.72624368      -1.03935499      -0.37018309
O       -0.32219000      -0.12262000      -5.91900000       0.37641924       1.49445264       2.32963175
O       -2.54674000      -1.13107000      -3.75289000      -0.08757482       1.60326476      -0.29590000
O       -0.42161000       2.69596000      -5.53793000       0.24083969       1.46962496       0.28771445
O       -2.41706000       1.66187000      -3.64857000      -0.03978752      -0.09459192       0.52937407
O       -3.46870000       2.92292000      -7.95374000       1.10044473      -0.50374936       0.28390322
O       -4.35111000       1.21999000      -5.76987000       0.29910587       0.79935102      -0.95904922
O       -4.93883000      -2.06423000      -5.45795000       0.73841774      -0.91041561      -0.39634354
Zn      -2.15543000      -1.11572000      -1.90907000       0.08151552      -0.51407037      -0.79185033
Zn      -1.02419000       0.29637000      -4.15719000      -0.25543189       0.38968501      -0.58964515
Zn      -0.71478000      -1.72631000      -6.41607000      -1.03977208      -2.19037511      -1.10052572
Zn      -2.96942000      -2.67051000      -4.68846000      -1.06731879      -1.14336765       0.43230869
Zn      -3.93320000       0.42119000      -4.03948000       0.34787178       0.06208417       0.42577691
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.78947336 magmom=-0.0001436 free_energy=-69.78947336 stress="0.006789812944947449 0.010894907361264625 0.016258609407864853 0.010894907361264625 0.015439464962139085 -0.007833527350894171 0.016258609407864853 -0.007833527350894171 0.004886351147784768" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31408000       2.80671000      -6.48452000       1.40034917       0.40431676      -1.72094709
O       -0.25006000       0.87713000      -2.24281000      -1.14458442      -0.25885233      -0.31848691
O       -0.17169000      -0.10316000      -5.70562000       0.75839615      -1.40572828      -1.39729044
O       -2.39324000      -1.09230000      -3.73456000      -0.81646505       0.36089381      -0.09050470
O       -0.48220000       2.75050000      -5.54795000       0.79937533       0.09673428      -0.34580142
O       -2.47209000       1.66887000      -3.58962000       0.08085634      -0.03319997       0.07418602
O       -3.40262000       3.06366000      -7.89920000       0.31526634      -1.15757459       0.29678044
O       -4.50848000       1.19720000      -6.02158000       0.62985221       0.68635567       0.71376031
O       -4.72199000      -2.02951000      -5.56165000      -0.10725441      -0.64118174       0.95310140
Zn      -2.07441000      -1.13985000      -1.85351000      -0.19212876      -0.57754033      -0.29664176
Zn      -0.98467000       0.25707000      -4.18466000      -1.21423000       1.34011840       1.72612571
Zn      -0.86459000      -1.73718000      -6.46470000       0.41692912       1.11825053      -0.69408482
Zn      -3.01001000      -2.66654000      -4.71099000      -1.13698170      -0.56534349       1.21819367
Zn      -3.91875000       0.33287000      -3.98579000       0.21061969       0.63275127      -0.11839040
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.46446608 magmom=2.93e-05 free_energy=-69.46446608 stress="0.00740305184585552 0.012178387118304905 0.006440683927123748 0.012178387118304905 0.01148471785889138 0.014127205132164667 0.006440683927123748 0.014127205132164667 0.00304670787017391" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.31627000       2.90880000      -6.57849000       0.14736404      -0.05548917      -0.08496056
O       -0.29568000       0.99255000      -2.35242000       0.95044410      -0.35471423       0.05475492
O        0.15912000      -0.20996000      -5.60714000      -1.20668923      -0.37077845      -0.22525021
O       -2.40398000      -0.95378000      -3.71805000      -0.70877817      -1.58365585      -0.00870154
O       -0.41886000       2.80885000      -5.57471000      -0.73879230      -0.71587129       0.88851793
O       -2.53682000       1.68388000      -3.53452000      -0.14540009       0.60883845      -1.06689255
O       -3.22322000       2.97281000      -7.81260000      -0.45994537      -0.29689166      -0.85576626
O       -4.54297000       1.32277000      -6.16679000       0.29518652       0.29772862       0.80471211
O       -4.56276000      -2.12855000      -5.52844000      -2.62264646       0.54544028      -0.51574643
Zn      -1.99346000      -1.20450000      -1.80723000      -0.35903882      -0.58832189       0.24626561
Zn      -0.99139000       0.28549000      -4.15032000       0.67934744       0.75259480      -0.61513100
Zn      -1.01757000      -1.71229000      -6.57059000       1.54911035       1.98484176       0.35086663
Zn      -3.10206000      -2.70963000      -4.66744000       2.24069286      -0.99761750       1.40155822
Zn      -3.88745000       0.26790000      -3.93138000       0.37914514       0.77389614      -0.37422686
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.33827018 magmom=-0.0001593 free_energy=-69.33827018 stress="0.008996872818430283 0.0003017826647342875 0.008632204908279238 0.0003017826647342875 0.019776291432950115 0.006740956720868412 0.008632204908279238 0.006740956720868412 0.01921167561078919" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.29158000       2.98653000      -6.69143000       0.06582551      -1.10763646       1.72931504
O       -0.25080000       1.05219000      -2.47489000      -0.34629162       0.08129092      -0.38482667
O        0.24401000      -0.40353000      -5.63654000      -2.07434598       0.84505263       0.28107672
O       -2.52599000      -1.10680000      -3.70051000       0.97406643       0.19290550       0.34067466
O       -0.46713000       2.74329000      -5.48119000       0.59516913       0.27011493      -1.35859027
O       -2.63479000       1.75259000      -3.63561000      -0.29832700      -1.61286292       0.92379963
O       -3.16314000       2.81729000      -7.87827000      -0.83783177       0.38728720      -0.27305922
O       -4.51822000       1.46630000      -6.11296000      -0.21018152      -0.23088294       0.34449249
O       -4.81240000      -2.10492000      -5.48850000       0.30428812       0.27548250      -0.32091119
Zn      -1.93910000      -1.29563000      -1.75230000      -0.70178456      -0.01215872       0.38289321
Zn      -0.98153000       0.35200000      -4.13147000       0.33316384      -0.56359836      -1.27365209
Zn      -1.07850000      -1.59488000      -6.64959000       1.22752525      -0.46129071       1.40370243
Zn      -3.10075000      -2.78061000      -4.57153000       0.51120018       1.41658360      -0.93289212
Zn      -3.83747000       0.25088000      -3.90443000       0.45752399       0.51971282      -0.86202262
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.31418712 magmom=-0.0001496 free_energy=-69.31418712 stress="0.01853829422699313 -0.022540922000201993 -0.0028154486911359635 -0.022540922000201993 0.00913028111887925 -0.01445765651506878 -0.0028154486911359635 -0.01445765651506878 0.01472599313565018" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.28918000       2.99380000      -6.69937000      -0.76933945      -0.57921946       0.24706490
O       -0.21195000       1.11096000      -2.62559000       0.43208016      -0.08040330       0.95173366
O       -0.10415000      -0.40790000      -5.59381000       0.64936841       0.68230537      -0.00174835
O       -2.45705000      -1.22796000      -3.61090000       0.14488308       0.73641164       0.01950023
O       -0.43203000       2.73725000      -5.63939000      -0.56094730       0.51633451      -0.06942563
O       -2.71539000       1.63314000      -3.60008000       1.82057915       1.86843163       0.16919848
O       -3.26593000       2.74581000      -8.02221000      -0.21565073       0.29730130       0.76025436
O       -4.53744000       1.53017000      -5.96930000      -0.24096758      -0.08724811      -0.32122274
O       -4.98901000      -1.99680000      -5.51310000       1.34283132      -0.00166058      -0.44607959
Zn      -1.92637000      -1.38130000      -1.68323000      -0.45115592       0.76010393      -0.45070052
Zn      -0.95612000       0.38751000      -4.18317000      -1.02281521      -0.27823905       0.33947211
Zn      -1.06973000      -1.50884000      -6.65244000      -0.08349390      -2.10267994       0.04009471
Zn      -3.06310000      -2.79708000      -4.51891000       0.47608054      -0.05914415      -0.90911564
Zn      -3.78092000       0.24813000      -3.92464000      -1.52145257      -1.67229379      -0.32902596
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.96731676 magmom=-0.000282 free_energy=-68.96731676 stress="0.019928403089577777 -0.014006747220412319 0.00919187516457861 -0.014006747220412319 0.0014696721256762955 -0.0016805251462573333 0.00919187516457861 -0.0016805251462573333 -0.012993590182089369" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.33331000       2.96231000      -6.66703000       1.21184870       0.75952503       0.74060110
O       -0.13303000       1.16632000      -2.62315000      -0.93878179       0.01300618       0.44236083
O       -0.36340000      -0.29367000      -5.63844000       1.61816973      -0.16755869       0.19668529
O       -2.33058000      -1.18337000      -3.52087000      -0.57473676       0.32198616      -1.09171061
O       -0.50771000       2.83175000      -5.86471000      -0.84772879      -0.80873262       0.99399535
O       -2.51338000       1.73380000      -3.55222000      -1.07654972      -1.47304752      -1.33232990
O       -3.39333000       2.73375000      -8.04932000       1.07765750      -0.26282230       0.46990055
O       -4.62868000       1.53340000      -5.84136000      -0.09958976       0.13137625      -0.27524312
O       -4.85348000      -1.86329000      -5.65076000       0.71689919      -1.25115884      -0.55461713
Zn      -1.94050000      -1.42958000      -1.62702000       0.27619267       2.37602811      -1.11198264
Zn      -0.99697000       0.42828000      -4.19358000      -1.56970853       0.47652563       2.63457615
Zn      -1.05317000      -1.53308000      -6.63992000      -0.36457019      -1.94615683      -0.31614906
Zn      -2.98328000      -2.79733000      -4.52160000       1.02993291       1.43969017      -1.37244455
Zn      -3.78461000       0.17451000      -3.96527000      -0.45903516       0.39133926       0.57635774
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.49469268 magmom=-0.0002977 free_energy=-69.49469268 stress="0.011583882169453262 0.011148294837232967 0.018911601933668663 0.011148294837232967 0.0016504404730857 -0.0003807757846918147 0.018911601933668663 -0.0003807757846918147 0.01104182603236748" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.32254000       2.95679000      -6.60848000       1.05511697       0.08815832      -0.54149161
O       -0.18579000       1.21692000      -2.46844000       0.34096325      -0.27656255       0.38346881
O       -0.32226000      -0.25942000      -5.66693000      -0.19557506      -0.44949947       1.09596525
O       -2.30061000      -1.06327000      -3.63315000      -0.52764716      -1.14018545       0.16492060
O       -0.78621000       2.78229000      -5.96265000       1.14710553      -0.92414579      -1.02457992
O       -2.48354000       1.66862000      -3.74511000      -2.08059798       1.38940064       0.66744300
O       -3.33618000       2.65931000      -7.94471000      -0.30081840      -0.65897539       0.06334209
O       -4.76716000       1.56565000      -5.74735000       0.27977493       0.65567925      -0.36687156
O       -4.47304000      -1.91238000      -5.87260000      -0.48751048      -0.40242419       0.93603506
Zn      -1.94563000      -1.34553000      -1.62776000      -0.13039504       1.19305892      -1.04998562
Zn      -1.13398000       0.49987000      -4.06502000       2.06885334      -1.83863112      -1.45554248
Zn      -1.04574000      -1.67645000      -6.64381000       0.50675322       0.59966772      -0.20547742
Zn      -2.82777000      -2.72270000      -4.59538000      -0.95218015       0.78123865       1.01720096
Zn      -3.83082000       0.09223000      -3.98855000      -0.72384296       0.98322043       0.31557286
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-68.96899834 magmom=-0.0001816 free_energy=-68.96899834 stress="0.02629511524700935 0.02598966181968644 0.016186680777460515 0.02598966181968644 0.011479110025221012 -0.004988301805333647 0.016186680777460515 -0.004988301805333647 0.017363209104942146" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.25875000       2.96311000      -6.58465000       0.39835770       0.14979208       0.02110598
O       -1.26386000      -4.78465000      -2.37356000       0.25723250       0.05195881      -0.87734325
O       -0.29294000      -0.29516000      -5.51160000       0.21543411       0.38223298      -0.95608930
O       -2.36279000      -1.12132000      -3.69794000       0.13864888       0.45429572       1.07328883
O       -0.88126000       2.62556000      -6.12791000      -0.33967757       1.70342866       0.63541814
O       -2.74580000       1.75193000      -3.80963000       1.07119788      -0.17941510       0.91767396
O       -3.32091000       2.47497000      -7.87196000      -0.59213562      -0.46650910      -0.59676826
O       -4.83164000       1.67068000      -5.72148000       0.28549114      -0.28900804       0.14268060
O       -4.23999000      -2.01803000      -5.88815000      -1.41998023       0.25643495       0.47154622
Zn      -1.94689000      -1.23672000      -1.67576000       0.47566230      -2.81421783      -0.09420316
Zn      -1.17740000       0.49453000      -4.01280000       0.42964440      -0.11318728      -0.90427951
Zn      -1.02118000      -1.76675000      -6.65542000       0.33976003       1.54670731       0.11985211
Zn      -2.73702000      -2.63574000      -4.63129000      -0.97505505      -1.76464205      -0.27771398
Zn      -3.89827000       0.07188000      -3.99112000      -0.28458048       1.08212888       0.32483163
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.33932663 magmom=-0.0001894 free_energy=-69.33932663 stress="0.038634660821035 0.010661338811367082 0.011477273442436191 0.010661338811367082 0.031854380976122657 0.0073146412498194405 0.011477273442436191 0.0073146412498194405 0.013107089672494614" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.20153000       2.95924000      -6.58072000      -1.50311961      -1.32199798      -0.66721949
O       -0.13630000       1.22495000      -2.35087000       0.45120188      -0.14216619      -0.61159642
O       -0.23406000      -0.24350000      -5.56065000      -0.31409516      -0.04845806      -0.02749534
O       -2.39689000      -1.11926000      -3.56095000      -0.03200429       0.11112209      -1.03762579
O       -0.93729000       2.75500000      -6.17360000       0.84687042      -0.65555589       0.23637817
O       -2.77062000       1.80926000      -3.67107000       1.24000862      -0.54563355      -0.18983762
O       -3.42729000       2.24749000      -7.92171000       0.10880885       0.78833290       0.35926314
O       -4.81187000       1.70323000      -5.67296000       0.33591640      -0.06254773       0.06909838
O       -4.32799000      -2.01388000      -5.77479000      -0.44371242       0.56883564      -0.04112094
Zn      -1.93910000      -1.27942000      -1.71478000      -0.61051074      -0.75179678       0.74852106
Zn      -1.17629000       0.47519000      -4.02688000       0.16350082      -0.12616002      -0.75443367
Zn      -0.97868000      -1.74962000      -6.65898000       0.73024874       1.87271393       0.22260479
Zn      -2.72213000      -2.64657000      -4.65603000      -0.97610811      -0.64692495       0.99864826
Zn      -3.96914000       0.11793000      -3.97263000       0.00299460       0.96023658       0.69481546
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.52475614 magmom=0.0001217 free_energy=-69.52475614 stress="0.026699260777279722 0.001912893216772621 0.017876078360011982 0.001912893216772621 0.02508409911132814 0.009586797148700475 0.017876078360011982 0.009586797148700475 0.01003815454002161" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.22092000       2.88530000      -6.60313000      -0.09324726       0.79755569       1.26856945
O        0.03524000       1.19381000      -2.59374000      -0.73693612      -0.22121376       0.27910877
O       -0.23127000      -0.22348000      -5.61650000       0.03607485      -0.72374905       1.38284458
O       -2.43378000      -1.04985000      -3.58886000      -0.18313492      -0.48858984      -0.88414435
O       -0.82387000       2.84072000      -6.14022000       0.75519720      -0.56589652       0.19647512
O       -2.49763000       1.75461000      -3.56096000      -0.59287568       0.25000745      -1.50542528
O       -3.50746000       2.12843000      -7.94299000       1.32865484       0.72686281       0.29927839
O       -4.71948000       1.67444000      -5.56393000      -0.35296603      -0.33503726      -0.13364242
O       -4.60601000      -1.91542000      -5.67332000       0.38248047      -1.32841846      -1.27788197
Zn      -1.95782000      -1.39069000      -1.73469000      -0.54114140       1.94651511      -0.85401241
Zn      -1.16243000       0.44005000      -4.09721000       0.24370703      -0.51530944      -0.29584355
Zn      -0.87735000      -1.60790000      -6.64102000       0.03633854      -0.31889749       0.58789651
Zn      -2.77361000      -2.71769000      -4.63626000      -0.85622006       0.41233960       0.47799331
Zn      -4.06186000       0.24277000      -3.90378000       0.57406855       0.36383116       0.45878384
14
Lattice="2.23827843 2.57330449 -4.83660389 -1.06406998 -6.00715414 -0.07131702 -5.525955 2.49061997 -4.7692078" Properties=species:S:1:pos:R:3:force:R:3 energy=-69.23007068 magmom=-0.0001165 free_energy=-69.23007068 stress="0.005329544826173013 -0.010332340888693113 0.012413454229577535 -0.010332340888693113 0.0005659137002930858 -0.020140785373517295 0.012413454229577535 -0.020140785373517295 0.016635713893198262" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -4.27655000       2.81977000      -6.58420000      -0.74084544      -1.32267640      -0.81823822
O        0.08685000       1.10565000      -2.77123000      -0.63652608      -0.38771113       1.24677723
O       -0.14739000      -0.28814000      -5.46280000       2.26917547       0.33088534      -1.30344452
O       -2.51509000      -1.06587000      -3.80333000      -0.16832048       0.03307781       0.84774881
O       -0.54883000       2.81796000      -6.05843000      -0.23307921       0.57777723       0.45658073
O       -2.34726000       1.72463000      -3.66811000      -1.89131225      -0.40173976       1.05944111
O       -3.34495000       2.16618000      -7.86315000      -0.04339038       0.00575398       1.26747277
O       -4.68401000       1.57864000      -5.48367000      -0.41359333       0.16853249      -0.73909915
O       -4.77469000      -1.98661000      -5.75825000       1.59019111       0.70683856       0.56350247
Zn      -2.01117000      -1.42479000      -1.78600000      -0.64514238       1.15070352      -0.67074362
Zn      -1.14151000       0.38019000      -4.17827000      -0.97879743      -0.06016890       1.36608013
Zn      -0.77049000      -1.48213000      -6.61335000      -0.74932865      -2.50679903      -1.20490527
Zn      -2.86628000      -2.76775000      -4.59464000       0.67797508       1.16431840      -1.47339845
Zn      -4.12390000       0.39897000      -3.80965000       1.96299396       0.54120788      -0.59777401
