15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.98084617 magmom=11.999803 free_energy=-97.98084725 stress="-0.017407093561304324 0.001572945221695748 -0.0018281644120717907 0.001572945221695748 -0.024727186020364132 -0.00035837352920135683 -0.0018281644120717907 -0.00035837352920135683 -0.01670814646304943" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41776000       1.15340000       6.15544000       0.04326203       0.00652939      -0.00039974
Cr       3.06059000       1.46919000       1.15046000      -0.04243747      -0.01173227       0.00011590
Cr      -0.33158000      -0.69735000       4.54894000       0.11533812       0.02081093       0.07539998
Cr       5.37142000       0.39889000       2.75695000      -0.11485603      -0.02264908      -0.07521300
O        0.40631000      -0.55325000       6.45016000      -0.26964354      -0.04574226       0.01165018
O        4.63269000       0.25915000       0.85574000       0.26744588       0.05711762      -0.01158668
O        2.87915000      -0.07773000       5.59193000       0.32400345       0.06894484      -0.08877812
O        2.15978000      -0.21601000       1.71396000      -0.32661325      -0.05439469       0.08891708
O       -1.90331000       0.50962000       4.66920000      -0.29474807      -0.04587883       0.29981667
O        6.38367000       2.10257000       2.63670000       0.29052084       0.06708059      -0.30003759
O        0.71308000       1.01479000       4.28936000       0.19556349       0.03983232      -0.26395960
O        3.76644000       1.60171000       3.01653000      -0.19619559      -0.03614382       0.26407041
Zn      -3.13849000       0.26581000       6.18349000      -0.04479181      -0.00928053      -0.00781579
Zn       7.62121000       2.33406000       1.12240000       0.04503404       0.00784980       0.00786211
Zn       2.50573000      -0.07541000       3.65295000       0.00811791      -0.04234401      -0.00004182
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.80631252 magmom=12.0017486 free_energy=-96.80631892 stress="-0.05328077463605441 0.029700471628552178 0.013468268466697129 0.029700471628552178 -0.0434223087122955 -0.003357643701799796 0.013468268466697129 -0.003357643701799796 -0.029568297542842292" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38968000       1.19675000       6.15565000       2.08681226       0.98064868      -0.04247100
Cr       3.06160000       1.34703000       1.07446000      -0.73579313       2.22974783       0.66397411
Cr      -0.31652000      -0.63556000       4.52814000      -0.56195338      -0.76519011       0.20195370
Cr       5.36879000       0.43269000       2.75248000      -1.37279926      -0.96435114      -0.22239125
O        0.56525000      -0.48452000       6.41601000      -3.57364574      -0.46149893      -0.08772518
O        4.64595000       0.36490000       0.88465000       0.85953171      -1.60028016      -1.00026022
O        2.81741000       0.04109000       5.70674000       1.86482866      -0.79047369      -1.47775517
O        2.17146000      -0.26366000       1.69056000      -0.79237024      -0.58919583      -0.29272083
O       -1.96248000       0.44755000       4.72516000       0.55419813       0.90340605      -0.41176661
O        6.29244000       2.10500000       2.57083000       1.28131512       0.38189730       0.87868586
O        0.70370000       1.07399000       4.26329000       0.16429771      -0.07693798      -0.42655108
O        3.71696000       1.53145000       2.87286000       0.03303651       0.69684734       2.01141093
Zn      -3.14026000       0.31485000       6.28059000      -0.49074569      -0.02078454      -0.77962246
Zn       7.58871000       2.29477000       1.16250000       0.62199924       0.07084397       0.20204731
Zn       2.57298000      -0.14133000       3.61898000       0.06128809       0.00532120       0.78319189
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.63428957 magmom=12.0001294 free_energy=-96.63435473 stress="0.0029383522446166507 0.017654841914917053 -0.011223744327901256 0.017654841914917053 0.007116101029053289 0.0025272757369148103 -0.011223744327901256 0.0025272757369148103 -0.02792557401546625" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.81706000      -1.59634000       6.13720000      -1.18499553      -1.16848654      -1.91094697
Cr       3.01955000       1.31307000       1.02187000      -0.01113177       0.52469174       0.29680033
Cr      -0.34613000      -0.59902000       4.51150000       0.15790554      -0.31503680       0.64585840
Cr       5.29660000       0.42621000       2.73194000       1.11448539      -0.02373692       0.73045705
O        0.14976000      -0.47372000       6.39027000       2.56575471       0.13591268       0.71268024
O        4.72642000       0.16289000       0.72063000      -0.81984024       0.12867732       1.56513798
O        3.01344000       0.04246000       5.54606000      -1.52951384       0.08728214       0.32079574
O        2.12736000      -0.41148000       1.55290000       0.88549853       0.81678426       0.87607051
O       -1.89493000       0.58118000       4.65517000      -1.29027972       0.09739797       0.54049161
O        6.34729000       2.16121000       2.71424000      -0.62445453      -0.29732972      -1.86963942
O        0.71052000       1.13385000       4.20538000       0.81271971       0.13806527       0.51175334
O        3.68224000       1.57796000       3.02807000       0.37484476      -0.29351195      -1.10695790
Zn      -3.16284000       0.38885000       6.37085000       0.79620810       0.30916577      -1.33017255
Zn       7.57393000       2.23841000       1.23560000      -0.13147113      -0.14156361       0.19780456
Zn       2.67258000      -0.24181000       3.61933000      -1.11572998       0.00168839      -0.18013291
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.21224843 magmom=11.9999658 free_energy=-95.21226273 stress="-0.02422374885898722 0.0021010788862460975 0.010728248862736121 0.0021010788862460975 -0.03704432981325401 0.0158301355735274 0.010728248862736121 0.0158301355735274 -0.03410826983776195" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.73325000      -1.50032000       6.01561000      -2.31997768      -2.59887009       1.87774507
Cr       2.95913000       1.30487000       0.96836000       1.70564589      -1.37356177       0.08621437
Cr      -0.39379000      -0.56397000       4.53784000       0.61905874       1.14184039       0.36700899
Cr       5.26018000       0.41010000       2.74194000       1.14361108       0.10703014      -0.46225094
O        0.03659000      -0.45413000       6.43401000       2.03665924      -0.00616628      -1.14389744
O        4.64289000      -0.09199000       0.70068000       0.81432860       2.50767556       0.39700092
O        2.97059000       0.06471000       5.43588000       0.52352579       1.64163888       1.12199962
O        9.53195000       2.48415000       1.53485000      -2.42919410       0.96987016       1.74175710
O        5.89008000       0.77035000       4.63520000      -0.71306998      -1.87772811       0.83470875
O       -1.00566000      -0.71973000       2.66173000      -0.24051244      -0.32513460      -0.00369066
O        0.79487000       1.22815000       4.26663000      -1.14895432      -0.31034923      -0.53913895
O        3.76685000       1.58060000       3.01791000      -0.56875694      -0.43580924      -0.70461382
Zn      -3.15969000       0.51245000       6.41576000       0.39651182       0.25532714      -0.97601981
Zn       7.56037000       2.15045000       1.34861000       1.29083383      -0.04564413      -1.30304152
Zn       2.75417000      -0.38382000       3.60254000      -1.10970952       0.34988117      -1.29378167
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.69550107 magmom=12.0001418 free_energy=-95.69551337 stress="-0.06112619803495763 0.04149806633478496 0.015848632298304976 0.04149806633478496 -0.020265822349715315 0.010921684184395758 0.015848632298304976 0.010921684184395758 -0.027254432160042665" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.76106000      -1.51975000       5.96189000      -2.60437686       0.63783589       2.84053541
Cr       2.96308000       1.25676000       0.90899000       0.86967199       1.38571534       2.18786429
Cr      -0.44124000      -0.48338000       4.60724000      -0.38071019      -0.46609901      -1.06837799
Cr       5.29434000       0.39554000       2.73735000      -1.05937088       0.01905870      -0.69951762
O        0.39161000      -0.43473000       6.32730000       0.17243910       0.43222042      -0.09057743
O        4.57739000       0.07071000       0.78491000       0.16546137       0.89993362      -0.82287861
O        2.90394000       0.28594000       5.56003000       2.13244127      -2.18686110      -1.33149099
O        2.09699000      -0.29224000       1.76884000      -0.17392687      -0.57942415      -1.27863780
O        5.75634000       0.69706000       4.73992000       1.15690412      -0.01087355      -0.22748780
O        6.16138000       2.14676000       2.59147000       2.28711612      -0.56663384       1.05952656
O        0.65047000       1.29356000       4.28368000      -0.61769055      -0.45571909      -1.32844537
O        3.78601000       1.50708000       2.79801000      -1.54790658       0.43537013       0.90536244
Zn       4.72560000       0.68039000       6.42027000      -0.26041508       0.00676768       0.23829970
Zn       7.60236000       2.03681000       1.41662000       0.47030095      -0.03966833      -1.71232665
Zn       2.79052000      -0.53773000       3.52749000      -0.60993792       0.48837730       1.32815187
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.41660727 magmom=11.9977555 free_energy=-95.41709679 stress="-0.07606336046718078 0.039548437723652 0.01669677492025978 0.039548437723652 -0.03361649656522064 0.00460748047634974 0.01669677492025978 0.00460748047634974 -0.011639999659143696" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.85325000      -1.54482000       6.02754000       2.89032087      -0.17732829      -1.44590836
Cr       2.99764000       1.28826000       0.95310000      -1.60546382       2.67736471       0.28659947
Cr      -0.48991000      -0.45040000       4.62232000       1.43011222      -1.58392547      -1.00738969
Cr       5.29391000       0.38242000       2.69916000       0.01850793      -0.36322089       0.22790758
O        0.63039000      -0.33264000       6.25992000      -3.51368871      -0.07112116       1.50932788
O        4.56225000       0.35423000       0.72894000       1.57041572      -1.63312275       0.03241917
O        3.02649000       0.20702000       5.50609000      -0.66812323      -0.64489438      -0.51943780
O        2.01498000      -0.22343000       1.75280000       1.49411759      -0.22272643      -0.77417490
O        5.83504000       0.62774000       4.77226000      -1.19430540       0.86856214       0.09894153
O        6.27254000       2.04996000       2.73326000      -0.39181191       0.82862753      -0.78647894
O        0.43657000       1.26052000       4.16053000       1.79837368      -0.12931755       0.33504127
O        3.67257000       1.48611000       2.72579000       1.51303912       0.24112712       1.16805116
Zn       4.73662000       0.81989000       6.42836000      -0.62177034      -0.16466755       0.05177729
Zn       7.65731000       1.93743000       1.39111000      -0.69930045      -0.41714285      -1.32403699
Zn       2.77841000      -0.63678000       3.52851000      -2.02042329       0.79178582       2.14736134
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.71921334 magmom=11.999885 free_energy=-96.71921335 stress="-0.011930298783448584 0.005165522210571006 0.004615185975131663 0.005165522210571006 -0.012581607631956778 0.016625634923258022 0.004615185975131663 0.016625634923258022 0.0031353024409329845" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.81926000      -1.57070000       6.02606000      -1.00704049      -0.96257328       0.19202905
Cr       2.98733000       1.44768000       1.01219000       1.93920240       0.69631545      -0.38835984
Cr      -0.46475000      -0.50467000       4.58297000       0.28276047      -0.50231190       0.17933241
Cr       5.30214000       0.36481000       2.67896000       0.76440503       0.31110692       0.34207057
O        0.33682000      -0.29191000       6.41399000       0.57358903      -0.72096393      -1.17701152
O        4.68410000       0.33838000       0.66990000      -0.14217381      -0.33394694       1.15040933
O        2.99413000       0.01915000       5.40596000      -0.30751716       1.09344585       0.91738642
O        2.19208000      -0.21675000       1.57034000      -1.28356173      -0.63543471       1.10160797
O        5.81631000       0.69341000       4.78469000      -0.10837237      -0.22681946      -0.15035361
O        6.29777000       2.09902000       2.72445000       0.49800755       0.03513346      -1.29171187
O        0.53850000       1.19533000       4.16825000       0.59596408       0.10415117       0.50466058
O        3.80135000       1.52198000       2.83126000      -1.32380263       0.81004439       0.47823926
Zn       4.71473000       0.92089000       6.43236000      -0.42109118      -0.16529269      -0.14502952
Zn       7.67319000       1.84332000       1.31193000       0.00734002       0.08025186      -0.78673030
Zn       2.68759000      -0.67535000       3.62255000      -0.06770921       0.41689380      -0.92653891
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.8092082 magmom=11.9977351 free_energy=-96.8092082 stress="-0.007710844696904469 -0.0035404309027850223 0.008331603698807387 -0.0035404309027850223 -0.018981656981622085 0.02161118781817641 0.008331603698807387 0.02161118781817641 0.004563916646311358" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.82408000      -1.63983000       6.04176000      -1.89225586      -0.64065874       2.02433032
Cr      10.92688000       1.60511000       1.03750000       0.22958073      -2.41876931       0.13600156
Cr      -0.42945000      -0.58563000       4.55074000       0.02972428       0.46111117      -0.05887120
Cr       5.34857000       0.38197000       2.68384000      -0.32375660       1.57088895       0.71018827
O        0.19682000      -0.40930000       6.39941000       1.77411593       0.01907066       0.09595631
O        4.72329000       0.25037000       0.76995000      -0.09242086       1.06361187      -0.22930424
O        2.86394000       0.03876000       5.52005000       1.08243317       0.43532422       0.12507685
O        2.18496000      -0.24047000       1.57745000      -1.16725515       0.75923102       1.00760661
O        5.83245000       0.71742000       4.74336000       0.01541245      -0.99276493      -0.37319920
O        6.35354000       2.15518000       2.54736000       0.42053348      -0.37047163       0.63112844
O        0.66427000       1.11765000       4.31174000      -1.16602599      -0.22813046      -0.94539274
O        3.77570000       1.66446000       2.95637000      -0.01718295      -0.63432312      -0.38428351
Zn       4.67317000       1.00596000       6.42783000      -0.15325981      -0.16488438      -0.39387843
Zn       7.68588000       1.75804000       1.20054000       0.63513978       0.08790499      -0.98081764
Zn       2.60799000      -0.67884000       3.66475000       0.62521741       1.05285969      -1.36454140
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.01793727 magmom=11.9996953 free_energy=-97.01793727 stress="-0.005432382920213937 0.006015899898219262 0.0024206588522453117 0.006015899898219262 -0.020339323771762778 0.019583347286851138 0.0024206588522453117 0.019583347286851138 0.002773516678692507" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37398000       1.17672000       6.15098000       0.74041972       1.25039093      -0.42837045
Cr      11.00371000       1.62406000       1.07533000      -2.30399617      -1.54073934       1.45600555
Cr      -0.40824000      -0.65053000       4.52454000       0.37493324      -0.14054889      -0.11365952
Cr       5.38862000       0.47954000       2.72677000      -0.32117882      -0.09256976      -0.00283276
O        0.42294000      -0.52001000       6.39795000      -1.18554238       0.18408026       0.80880794
O        4.67479000       0.34363000       0.83856000       0.26471762       0.62063709      -0.41190554
O        2.88072000       0.11907000       5.71298000       0.92740796      -1.16381480      -0.97599824
O        2.03682000      -0.14209000       1.74754000       0.92513052      -0.14164218      -0.65239328
O        5.90980000       0.58104000       4.61925000      -0.82326704      -0.01703519       1.06924206
O        6.42384000       2.14997000       2.52513000      -0.00722934       0.16656098       0.18594766
O        0.58307000       1.02243000       4.35029000       1.10396689       0.78605349      -0.84310079
O        3.77436000       1.71619000       2.95220000       0.29085072      -0.25112593       0.18210916
Zn       4.62117000       1.08461000       6.40298000      -0.49848825      -0.49970705      -0.88904352
Zn       7.72953000       1.67504000       1.04659000       0.61580756       0.38187093       0.31799543
Zn       2.56001000      -0.63225000       3.63545000      -0.10353222       0.45758946       0.29719628
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.66313506 magmom=11.9986715 free_energy=-96.66313506 stress="-0.006755760026379235 0.012306546765209172 -0.005748766359729421 0.012306546765209172 -0.014682398909462354 0.009291396739122859 -0.005748766359729421 0.009291396739122859 -0.009980211889508057" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33503000       1.13680000       6.23440000       2.64839881       0.87317621      -1.45091939
Cr       3.08606000       1.55638000       1.19977000      -0.89209806       0.94402937      -0.17620771
Cr      -0.37519000      -0.71758000       4.49527000       0.37518501       0.45096340       0.86661592
Cr       5.41365000       0.56962000       2.76969000      -0.47133680      -1.81970448      -1.03708752
O        0.46267000      -0.54676000       6.53313000      -2.20347527       0.03066975      -0.81634028
O        4.62109000       0.50124000       0.83876000       0.95035818      -1.58096822       0.61097163
O        2.99262000      -0.00134000       5.72862000      -0.82989732      -0.24694855      -0.70542726
O        2.08572000      -0.07369000       1.77516000      -0.08803739      -0.77749411      -0.63395437
O       -1.96069000       0.46092000       4.65273000      -0.07896825       0.99046283       1.11291238
O        6.44753000       2.16989000       2.59875000       0.54903659       0.49991693      -0.77222764
O        0.64344000       1.03672000       4.28780000       0.52044587      -0.41642818       0.46816373
O        3.86178000       1.72947000       2.94083000      -0.91476920       0.49818793       1.35370715
Zn       4.54289000       1.14294000       6.33131000      -0.48761815      -0.76856998      -1.07145323
Zn       7.81008000       1.60761000       0.90644000       0.31229588       0.87563147       1.25485291
Zn       2.51335000      -0.55743000       3.61930000       0.61048010       0.44707563       0.99639369
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.64225802 magmom=12.0001726 free_energy=-96.64225802 stress="0.02618851518320695 -0.010309932560214277 -0.010585101636005598 -0.010309932560214277 -0.002514027141395172 0.01192810577928513 -0.010585101636005598 0.01192810577928513 0.03457709097785881" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43929000       1.13874000       6.24550000      -1.74881392      -0.72834158       0.30656742
Cr       2.98450000       1.52257000       1.32197000       2.69024356       0.45938044      -2.54850832
Cr      -0.32354000      -0.76335000       4.51412000      -0.02217555       1.31202667       1.65533564
Cr       5.41969000       0.57178000       2.76603000       0.25245200      -0.59269707       0.39771941
O        0.18655000      -0.51660000       6.56615000       1.91821899      -0.09123848      -0.28620901
O        4.63977000       0.37246000       0.93078000      -0.34600123      -0.29302955      -0.06685473
O        2.92698000      -0.17712000       5.60367000       0.32930580       1.27169745       0.56107878
O        2.14719000      -0.15819000       1.67030000      -1.95738264      -0.63411274       1.13131725
O       -1.95174000       0.54799000       4.82561000       0.10310202      -0.06848943      -1.07179236
O       -0.79318000      -0.67395000       2.60403000      -0.39411630      -0.34905070      -0.33061256
O        0.78094000       0.97760000       4.34845000      -0.37565317      -0.17702965      -0.13268195
O        3.83347000       1.80481000       3.11153000      -0.54244721      -0.63863461      -0.02398930
Zn       4.42878000       1.16943000       6.19266000       0.29374785      -0.65488335      -0.37093903
Zn       7.91964000       1.57608000       0.81564000      -0.33139129       0.72527648       0.57858420
Zn       2.49059000      -0.44699000       3.65609000       0.13091110       0.45912612       0.20098456
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.55708358 magmom=12.0002374 free_energy=-96.55708358 stress="-1.1352318941539758e-05 -0.027208440969656175 -0.0077481249625284765 -0.027208440969656175 -0.020253977120073582 0.014802377566936472 -0.0077481249625284765 0.014802377566936472 0.02553626784266206" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46529000       1.10549000       6.26673000      -1.80184765      -0.07397583       0.77224604
Cr       3.00655000       1.50477000       1.30872000      -0.11956773      -1.72946902      -0.21700320
Cr      -0.27427000      -0.73131000       4.62433000      -0.48891867       1.25547676      -0.47182360
Cr       5.44594000       0.52507000       2.77986000      -0.12424521      -0.31995678       1.26403877
O        0.29428000      -0.49649000       6.55364000       1.17345958      -0.66865564       0.66692156
O        4.57647000       0.16089000       1.02100000       0.38424275       1.66495398      -0.88586642
O        2.84707000      -0.13625000       5.62232000       1.07385582       0.50011532       0.78915394
O        1.97085000      -0.33566000       1.73320000       1.15230302       1.08234107       0.51793203
O        5.97429000       0.65624000       4.77718000      -0.77359418      -1.51796342      -0.27988376
O       -0.85725000      -0.69206000       2.61538000       0.01684590      -0.33595376       0.15119537
O        0.80952000       0.89519000       4.44490000      -0.16178321       1.28151593      -0.90250910
O        3.72947000       1.76821000       3.24081000       0.04784866      -0.82835399      -0.84215517
Zn       4.31768000       1.16565000       6.02247000       1.14817172      -0.12775448       0.64870525
Zn       8.01941000       1.57416000       0.74716000      -1.37172391      -0.26406637      -0.63047854
Zn       2.47339000      -0.30168000       3.70467000      -0.15504691       0.08174623      -0.58047315
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.99552492 magmom=12.0004608 free_energy=-95.99552492 stress="-0.04835392054423866 0.006296374693673224 0.004163125533981079 0.006296374693673224 -0.04699251484671272 0.004923331933317898 0.004163125533981079 0.004923331933317898 -0.00825064691269773" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40364000       1.07212000       6.32679000       2.21252222       1.31424110      -0.26802176
Cr       3.04817000       1.40632000       1.27594000      -1.13012714       0.03881799       1.64797711
Cr      -0.27051000      -0.63867000       4.71569000      -1.09504296      -0.85870821      -1.74052663
Cr       5.47048000       0.44975000       2.85045000      -2.18808385      -0.65501386      -0.89436401
O        0.61299000      -0.60510000       6.61975000      -3.80445618       0.08222003      -0.48310468
O        4.53199000       0.20848000       0.99232000       1.26741294      -0.17626934       0.42554224
O        2.88690000      -0.03020000       5.80390000      -0.15711617      -1.70755060      -0.95672752
O        1.97920000      -0.33168000       1.85399000       0.59219747       0.08988293      -1.57239042
O       -1.87421000       0.55944000       4.66023000      -0.14781471       0.26725136       2.41474002
O        6.32381000       2.11899000       2.69970000       1.82524740       0.36674563      -0.20628522
O        0.75273000       1.03130000       4.44294000       0.19504067       0.16823785      -0.06945304
O        3.65119000       1.56865000       3.17743000       0.37185599       0.00268131       0.31394863
Zn       4.26886000       1.16506000       5.88397000       2.27203273       0.97410911       1.10795975
Zn       8.06320000       1.56231000       0.65292000      -0.53394007       0.14397602      -0.05084309
Zn       2.45226000      -0.14580000       3.72777000       0.32027165      -0.05062132       0.33154862
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.47597423 magmom=12.0003068 free_energy=-96.47597423 stress="-0.019310272905213026 0.012054839047867352 0.009374665005722196 0.012054839047867352 -0.008061711893880108 0.001663342577467724 0.009374665005722196 0.001663342577467724 0.004449942707589908" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43225000       1.10111000       6.37779000      -0.80722647      -0.51955856      -0.43941857
Cr       3.03262000       1.31110000       1.31875000       0.89700424       1.75159252      -1.17461896
Cr      -0.33396000      -0.59874000       4.70111000       0.23198414      -1.05881139      -0.61555123
Cr       5.41873000       0.35047000       2.88881000       0.42632908      -0.04121810      -0.17106153
O        0.36811000      -0.66016000       6.62570000       0.27261581       0.77219225       0.05682140
O        4.66916000       0.24860000       1.02739000       0.00297177      -0.97612807       0.04304584
O        2.89664000      -0.19555000       5.80975000       0.63218690       1.10737549      -0.65646048
O        2.14105000      -0.30550000       1.69604000      -1.29176386      -1.30298240       0.45601795
O       -1.90820000       0.50691000       4.86361000      -0.76895069       0.67181260      -0.41791819
O        6.39897000       2.05352000       2.78449000      -0.13997290       0.13362483      -0.08135697
O        0.71198000       1.18234000       4.45321000       0.68644400      -1.18530620      -0.10534622
O        3.67782000       1.38944000       3.14116000       0.63694371       1.09360991       1.32991160
Zn       4.33014000       1.20939000       5.81777000       0.45196948       0.03747982       1.51449238
Zn       8.07539000       1.55095000       0.55549000      -0.35911975       0.35910574       0.18286149
Zn       2.43777000      -0.00543000       3.76092000      -0.87141546      -0.84278844       0.07858150
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.88394691 magmom=12.0012241 free_energy=-95.88394695 stress="-0.004657070327411433 0.013100485625311156 0.007523805161993287 0.013100485625311156 -0.0013769544514377176 0.0008465059359827603 0.007523805161993287 0.0008465059359827603 -0.0022529405579502513" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44439000       1.10624000       6.39417000      -1.05574670      -0.52224635      -0.79517892
Cr       3.05619000       1.29751000       1.31411000       1.15648289      -0.04967357      -0.43400328
Cr      -0.39646000      -0.63058000       4.64589000       1.14894472      -0.48492466       1.56228168
Cr       5.40762000       0.25620000       2.91088000       0.67138664       0.68545697       0.66298633
O        0.14209000      -0.51784000       6.65123000       2.37703826      -0.14419692       0.05276805
O        4.76137000       0.08286000       1.07328000      -1.05580511       0.02212575      -0.71258801
O        2.94942000      -0.21233000       5.70527000      -0.18547134       1.01254140       0.54425521
O        9.44446000       2.46703000       1.57062000      -0.75518452       0.68169997       1.65260388
O       -1.96476000       0.55565000       4.95334000       0.88483317      -0.65379897      -1.72463628
O        6.39268000       2.00457000       2.86717000      -0.12049823      -0.18464433      -1.47942278
O        0.73801000       1.09867000       4.49240000      -0.27207311      -0.30237421      -0.23148558
O        3.81457000       1.41153000       3.27062000      -0.98715474       0.15908652      -0.43621120
Zn       4.41521000       1.27020000       5.84022000      -1.25483033      -0.03397389       1.45756626
Zn       8.07185000       1.55454000       0.46528000      -0.16190115       0.45850315       0.50567890
Zn       2.38081000       0.09673000       3.80104000      -0.39002044      -0.64358085      -0.62461427
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.14481225 magmom=11.9991872 free_energy=-95.14481225 stress="-0.042999566193644964 -0.01766706293958175 0.00356223108358067 -0.01766706293958175 -0.06248935035639736 0.012132913742240022 0.00356223108358067 0.012132913742240022 -0.02925714765241942" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40085000       1.08254000       6.35101000       1.47512501       2.45758195      -0.35232334
Cr       3.13957000       1.28950000       1.27779000      -2.03557461      -1.76013386       2.46362696
Cr      -0.39809000      -0.72249000       4.64763000       1.94925448      -0.76096599      -0.27804715
Cr       5.44912000       0.19126000       2.95089000      -2.13811927       1.14302895      -2.29348869
O        0.40599000      -0.39400000       6.69441000      -1.58798634      -3.40877433      -1.13719179
O        4.63817000      -0.07889000       1.03025000       1.62989912       2.95538269       0.22930790
O        2.92926000      -0.00215000       5.71821000       0.04244868      -0.50589861       0.32501613
O        9.35149000       2.38384000       1.75806000       0.51899405       0.50959152      -0.17339991
O       -1.84824000       0.49574000       4.69642000      -1.51291384      -0.28717568       2.89926315
O        6.31783000       1.92089000       2.75710000       1.84443686       0.12731056      -0.45656898
O        0.65994000       0.91428000       4.54134000      -0.21611725       1.35159288      -0.61785897
O        3.81874000       1.48797000       3.32508000      -0.90084288      -1.16422772      -0.51656633
Zn      -2.84615000      -1.57592000       5.95049000      -1.03385995      -1.55525849      -1.31302444
Zn       8.06733000       1.59065000       0.39240000       0.97137157       1.39828108       2.71286343
Zn       2.28487000       0.18247000       3.80907000       0.99388438      -0.50033495      -1.49160796
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.33595817 magmom=11.9997817 free_energy=-95.33595817 stress="-0.07395234027996123 0.05835111391983682 0.008987166585173529 0.05835111391983682 -0.026634989380067232 -0.014065519061654756 0.008987166585173529 -0.014065519061654756 0.0034849683533716936" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40864000       1.14623000       6.27990000       1.87317103      -1.16182587       1.05986580
Cr       3.13878000       1.22252000       1.35487000      -1.65402356       1.34631012      -0.08137455
Cr      -0.31235000      -0.87953000       4.64056000      -2.65451005       1.13116330      -0.52264546
Cr       5.41788000       0.17815000       2.87598000       0.36270704       0.35215222      -0.41917717
O        0.56974000      -0.73838000       6.59314000      -3.99502068       2.78043769       0.86482705
O        4.64662000       0.16014000       1.02328000       0.72037546      -1.41785338      -0.41979008
O        2.89609000       0.14995000       5.79661000       1.22488648      -1.94056463      -1.24533274
O        2.08380000      -0.51026000       1.95867000       0.33456860       0.00693253      -1.86728461
O       -1.92057000       0.33429000       4.78114000      -0.47406946      -0.04816585       0.47315959
O        6.43288000       1.85474000       2.58423000      -0.49127792       0.28539304       1.26354089
O        0.53875000       0.90357000       4.51457000       2.85835265      -1.17668582      -0.89614983
O        3.69609000       1.39908000       3.21581000       1.26732923       0.18023685       0.01500490
Zn      -2.85830000      -1.57138000       6.03491000      -0.14691830      -0.95187775      -0.85845192
Zn       8.11331000       1.71058000       0.44955000       0.32645722       0.99663468       2.50605256
Zn       2.20953000       0.25970000       3.74102000       0.44797224      -0.38228714       0.12775558
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.83621734 magmom=12.0017797 free_energy=-95.83621735 stress="-0.034586597139540536 0.031076227011188704 0.0001871178471261837 0.031076227011188704 0.005441339710503907 -0.009746172661165823 0.0001871178471261837 -0.009746172661165823 -0.00017546846355779756" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47568000       1.18218000       6.27869000      -1.33247506      -0.93942417       0.58750336
Cr       3.06064000       1.21534000       1.40279000       1.39498569       1.00772802      -3.76106376
Cr      -0.34304000      -0.98527000       4.60699000      -1.34230910       0.62951697       0.86000964
Cr       5.41861000       0.19245000       2.77173000       0.73436473      -0.51715992       1.59118593
O        0.25956000      -0.78608000       6.58628000       1.43537095       0.72481419       0.25777859
O        4.70995000       0.21375000       0.96655000      -0.60822947      -1.07935348      -0.67901779
O        2.97204000      -0.02870000       5.68038000      -0.61302154      -0.30218912      -0.14006221
O        2.20138000      -0.47106000       1.83855000      -0.64204119       0.14466861       0.77929890
O       -2.03074000       0.19611000       4.92517000       0.78499908       0.29545946      -1.37106709
O        6.40831000       1.83989000       2.68852000       0.34381360       0.45629313       0.17172205
O        0.68745000       0.81958000       4.42819000      -1.98782862       0.54592690       1.03089001
O        3.81159000       1.34319000       3.10847000       0.02746879       0.32983709       1.10223897
Zn      -2.87689000      -1.61017000       6.07348000       0.48014134      -0.02575044       0.37771261
Zn       8.17092000       1.86089000       0.61294000      -1.37747290      -0.20721990      -0.37366289
Zn       2.18453000       0.30234000       3.67154000       2.70223370      -1.06314733      -0.43346631
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.05671095 magmom=12.000081 free_energy=-96.05671095 stress="-0.024568569188299073 0.009776358833758861 -0.004406083635445344 0.009776358833758861 -0.01704394076501057 0.000879024691607833 -0.004406083635445344 0.000879024691607833 -0.01574262959061648" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46440000       1.14925000       6.29981000      -2.13097499      -1.96230731      -1.40491940
Cr       3.07139000       1.26292000       1.25795000       2.06374102       0.62889035      -0.19295074
Cr      -0.44050000      -1.02057000       4.63360000       0.75634001       1.28012201       1.55471953
Cr       5.46601000       0.18960000       2.76533000      -0.78288499      -0.52299124       0.96228745
O        0.24374000      -0.66624000       6.64192000       1.10218542      -0.17084839      -0.41049315
O        4.65514000       0.05584000       0.88299000       0.50085820       0.31508913       1.07772245
O        2.90692000      -0.22396000       5.56902000       0.47565658       1.48345900       0.27417562
O        2.24576000      -0.40578000       1.82912000      -0.73472778      -0.31593830       0.35554249
O       -1.98770000       0.16751000       4.79218000      -1.07152514       0.52742953       0.34355541
O        6.38745000       1.87454000       2.80559000       1.34353839      -0.04164385      -1.95635243
O        0.56001000       0.79728000       4.51242000       1.48047545      -0.45517528      -0.73682024
O        3.91854000       1.36411000       3.11748000      -1.37654043      -0.02297237      -0.55341145
Zn      -2.87195000      -1.64131000       6.11528000       0.02732422      -0.27182577      -0.01504857
Zn       8.15130000       1.95917000       0.72005000      -1.77032203      -0.43429464      -0.82084694
Zn       2.26138000       0.29386000       3.62240000       0.11685608      -0.03699287       1.52283996
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.28521236 magmom=12.0002955 free_energy=-96.28521236 stress="-0.014601973587854766 -0.009387485639685599 -0.013055367628292883 -0.009387485639685599 -0.02766736979214321 0.008896697608084335 -0.013055367628292883 0.008896697608084335 -0.0373086849689225" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35611000       1.01824000       6.23824000       2.15461408       0.75716174      -0.86928688
Cr       3.18669000       1.32854000       1.13099000      -1.19175999      -1.26961707       3.80086349
Cr      -0.48902000      -0.98041000       4.72253000       1.86555975       0.96180927      -1.48964658
Cr       5.47879000       0.16240000       2.81030000      -0.31849930       0.37214060      -1.38925839
O        0.47852000      -0.61429000       6.58508000      -2.16978811      -1.51546858      -0.91229415
O        4.67822000       0.01570000       0.93820000       1.39403879       1.65348859      -1.07898998
O        2.85567000      -0.17900000       5.56678000       0.70304023       0.37823400       0.42647656
O        2.21406000      -0.39063000       1.83967000       0.19628390      -0.13206852      -1.10311955
O       -2.05515000       0.25472000       4.68928000      -0.25364230      -0.17793536       1.83952190
O        6.52940000       1.88373000       2.66326000      -0.47272384      -0.21392487       0.39760513
O        0.56057000       0.74488000       4.52419000      -0.26365994       0.26022787      -1.12123605
O        3.84145000       1.39462000       2.99977000       0.41554089      -0.06699559       0.45610861
Zn       4.43005000       1.23366000       6.16213000      -0.63722631      -0.43018698      -0.00467398
Zn       8.03827000       2.01889000       0.77342000      -1.18792548      -0.36391399       0.35768524
Zn       2.35252000       0.27900000       3.64990000      -0.23385237      -0.21295111       0.69024462
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.57481023 magmom=11.9999352 free_energy=-96.57481023 stress="-0.012153422816940908 0.011772039146709287 -0.018092646855329773 0.011772039146709287 -0.0073272470135896765 0.006760793803489259 -0.018092646855329773 0.006760793803489259 -0.0030394692487576216" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34692000       0.90901000       6.11537000       0.98279372       1.47846206       1.48719041
Cr       3.25357000       1.34481000       1.18700000      -0.86456274      -0.27117129      -1.68507899
Cr      -0.44871000      -0.88691000       4.72404000      -0.59986770      -0.76140979      -2.34945719
Cr       5.48840000       0.16062000       2.79933000       0.66638347       0.96296118      -0.68256006
O        0.43121000      -0.80161000       6.43752000      -0.58527394       0.71107620       1.67852456
O        4.86027000       0.21133000       0.83702000      -0.72336046      -1.02910268      -0.40105627
O        2.91291000      -0.06123000       5.64574000       0.34075117      -1.25904508      -0.89111311
O        2.28119000      -0.39470000       1.64912000       0.01103364       0.51507598       0.79328190
O       -2.12401000       0.33733000       4.81413000       0.88511896      -0.31245546      -0.14667581
O        6.52373000       1.84096000       2.60128000      -0.48551232       0.42294479       0.78063610
O        0.54215000       0.74772000       4.36149000       0.71968614       0.58838830      -0.49112376
O        3.86712000       1.42363000       2.94046000       0.08078574      -0.39650798       1.84818835
Zn       4.40532000       1.17900000       6.21720000       0.02234710       0.12404119       0.31222845
Zn       7.84909000       2.05318000       0.83761000      -0.39112727      -0.38305644       0.72294788
Zn       2.43393000       0.25296000       3.71845000      -0.05919551      -0.39020097      -0.97593246
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.33484573 magmom=11.9989179 free_energy=-96.33484573 stress="-0.0022483068678167046 0.011322547411122479 -0.012404539800410001 0.011322547411122479 -0.008778141434230571 0.009478200613373974 -0.012404539800410001 0.009478200613373974 0.03508851496779999" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39886000       0.88996000       6.07261000      -1.07631233       1.01221848       0.98674786
Cr       3.26486000       1.33997000       1.18716000      -0.07267524       0.39967248      -1.18417234
Cr      -0.42535000      -0.83307000       4.60429000       0.63297113      -0.71854547       0.41874840
Cr       5.52614000       0.21103000       2.75354000      -2.05242954      -0.14022817       0.71003331
O        0.31050000      -0.87422000       6.51348000       1.39429778       1.14550757      -0.84056386
O        4.87084000       0.22385000       0.68262000      -0.14615723      -0.84848811       1.35505975
O        2.99580000      -0.16706000       5.59345000      -0.39655401      -0.85859098      -0.05787659
O        2.39453000      -0.31344000       1.59249000      -1.64302681      -0.60016549       1.31676683
O       -1.98229000       0.36225000       4.87096000      -0.21918214       0.04012376      -0.75949302
O        6.39520000       1.87958000       2.68980000       1.98423879       0.71788786      -1.09651478
O        0.60451000       0.84215000       4.17238000       0.76145316      -0.03167841       0.93802134
O        3.94277000       1.41044000       3.08823000      -0.28810736       0.24302649      -0.74987388
Zn       4.38164000       1.13706000       6.28346000       0.36200710       0.26839901      -0.32498506
Zn       7.64241000       2.06323000       0.93757000       0.90364950      -0.18900911       0.88119493
Zn       2.50737000       0.20623000       3.73813000      -0.14417280      -0.44012992      -1.59309289
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.66934954 magmom=11.998679 free_energy=-96.66934954 stress="-0.016352282345075148 -0.012026178893048044 0.010427227974190647 -0.012026178893048044 -0.029266015956834517 0.014126794852803786 0.010427227974190647 0.014126794852803786 -0.006238341641141491" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39924000       0.93397000       6.09547000       0.96579292       0.42158906      -0.23979368
Cr       3.23774000       1.33919000       1.11956000      -1.50614632      -0.53277894       1.18591312
Cr      -0.36164000      -0.82548000       4.49790000       2.56985823       0.31865394       1.22676101
Cr       5.47800000       0.26947000       2.74912000       0.08295980      -0.11598229       0.29439112
O        0.49387000      -0.69617000       6.45790000      -1.21184486      -0.98835846      -0.34746778
O        4.77605000       0.06144000       0.78146000       0.67747791       0.85622101       0.40983242
O       -4.86842000      -0.43445000       5.54255000       0.91968034       1.72036985       0.23505652
O        2.30294000      -0.31199000       1.74546000      -0.40186895      -0.52802068      -0.56880339
O       -1.82382000       0.39388000       4.71945000      -1.53367018       0.09659016       0.01663942
O        6.50486000       2.01555000       2.62607000      -0.86441659      -0.60127415       0.07870906
O        0.76743000       0.91907000       4.22134000      -0.61731252      -0.55717348       0.25628878
O        3.98837000       1.45228000       3.05705000      -0.77680509       0.29767076      -0.47041154
Zn       4.37225000       1.11407000       6.33780000      -0.13745919      -0.03118152      -0.52859269
Zn       7.48369000       2.06226000       1.07896000       2.20096238       0.13616216      -1.08571478
Zn       2.56958000       0.13449000       3.67884000      -0.36720789      -0.49248740      -0.46280760
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.44711919 magmom=11.9998853 free_energy=-96.44711919 stress="-0.01298304956516814 -0.014456883666442778 0.004199455561048217 -0.014456883666442778 -0.03321338273144274 0.013781276716530155 0.004199455561048217 0.013781276716530155 -0.05203430049327056" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45004000       1.01175000       6.11988000       1.62418757      -0.46275833       1.17218616
Cr       3.12381000       1.31092000       1.10902000      -0.67459565      -0.40168559       0.59336870
Cr      -0.19198000      -0.80823000       4.46425000      -1.55370981      -0.00150172       1.14748091
Cr       5.42420000       0.32263000       2.76941000       0.28254806      -0.11721206      -0.45175554
O        0.54190000      -0.67687000       6.36838000      -1.11644125      -0.44938066       0.88551499
O        4.71625000       0.04148000       0.92742000      -0.12253185       0.90110051      -2.16783851
O       -4.73483000      -0.40690000       5.55412000       0.08403564       1.44232064      -0.18254838
O        2.16198000      -0.41657000       1.75800000      -0.13748119       0.08446692      -0.95194598
O       -1.84176000       0.44732000       4.55001000       0.34270501      -0.08370295       2.38568756
O        6.42477000       2.03330000       2.68406000       0.20356213      -0.16802872      -1.02945185
O        0.81395000       0.88503000       4.34623000       0.55815752       0.02530453      -1.67212283
O        3.90520000       1.53576000       2.89917000      -1.48046603      -0.77884777       1.31210223
Zn       4.35627000       1.09564000       6.36578000       0.19041658       0.12034955      -0.43372764
Zn       7.45213000       2.06901000       1.14764000       1.79470402       0.11228313      -1.25771154
Zn       2.61281000       0.04030000       3.59742000       0.00490925      -0.22270747       0.65076172
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.4513684 magmom=11.999675 free_energy=-96.4513684 stress="-0.0015856700734601058 -0.0003241117260472261 -0.011565070997445928 -0.0003241117260472261 -0.007489892839659642 0.009738290471502055 -0.011565070997445928 0.009738290471502055 -0.011474521879379555" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57790000       1.07953000       6.19004000      -0.71813323      -0.62493668      -1.59629426
Cr       2.96405000       1.25975000       1.12798000       0.48020551       0.23537893      -1.89713655
Cr      -0.11181000      -0.79863000       4.49817000      -2.38065436      -0.38577117       0.79746260
Cr       5.38559000       0.36045000       2.78589000      -1.04277920      -0.87137750       0.55932351
O        0.45504000      -0.77217000       6.42265000       1.03029198       0.91603955      -0.56451381
O        4.59598000       0.18445000       0.76337000       0.45009030      -0.65670588       2.18018109
O        3.23667000      -0.14043000       5.53743000      -2.08819623      -1.11180160       0.02195178
O        9.35172000       2.41479000       1.56394000       0.33745765       1.02526015       0.76066413
O       -1.80158000       0.48794000       4.70909000       0.09830654      -0.32553928      -0.07187341
O        6.29156000       2.00869000       2.70025000       1.54858611       0.65895737      -1.19769683
O        0.91680000       0.86085000       4.25611000       0.48957387       0.70125156      -0.05779757
O        3.62297000       1.51520000       2.92595000       1.26483942       0.42811117       0.66481662
Zn       4.35149000       1.09396000       6.37645000       1.51679890       1.12377755       0.29765998
Zn       7.52831000       2.08352000       1.12669000      -0.26465448      -0.32443819      -0.70346706
Zn       2.65060000      -0.07307000       3.54779000      -0.72173278      -0.78820599       0.80671978
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.37706831 magmom=12.000092 free_energy=-96.37706831 stress="-0.027636953295380406 0.015379679531022154 0.011667272120514518 0.015379679531022154 -0.017292734977099974 0.015301948319379696 0.011667272120514518 0.015301948319379696 0.024675947312387595" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.65654000       1.11275000       6.19250000      -2.40398150       0.03781993      -0.40275672
Cr       2.84896000       1.23222000       1.04986000       3.01649271       2.16486583      -0.66865423
Cr      -0.17901000      -0.81147000       4.58314000       0.72675543       1.00712608      -0.88636562
Cr       5.32094000       0.36037000       2.82632000       0.26580991      -0.19444017      -0.73909754
O        0.59239000      -0.68055000       6.38319000      -0.47108053       0.55407973       0.03218264
O        4.50390000       0.19973000       0.88340000       0.86530242      -0.72687802       0.52298290
O        2.98465000      -0.07012000       5.57710000       2.19260726      -0.47608856       0.43707685
O        2.06710000      -0.39645000       1.47444000      -1.00067653      -0.60871181       1.02696223
O       -1.70021000       0.47933000       4.86213000      -1.19522344      -0.57699837      -0.80196137
O        6.35132000       2.05529000       2.53255000      -0.62427296      -0.25212767       1.37359496
O        1.03144000       0.95876000       4.19300000      -1.30747369      -0.11498165       0.52764550
O        3.58557000       1.53571000       3.01596000       1.37612062      -0.32180227      -0.14042368
Zn       4.40897000       1.14505000       6.39109000       0.53114526       0.14285930      -0.53751919
Zn       7.59479000       2.08002000       1.06725000      -0.71406049      -0.61865637      -0.49373729
Zn       2.64907000      -0.22167000       3.54252000      -1.25746447      -0.01606601       0.75007056
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.2654054 magmom=12.0008255 free_energy=-96.2654054 stress="-0.03261110641716337 0.00011070599064879327 0.012987659075695334 0.00011070599064879327 -0.03125866994925507 0.016608614739811338 0.012987659075695334 0.016608614739811338 0.013253724273792625" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60586000       1.14845000       6.15425000       0.09369934       0.21353304       0.55770168
Cr       2.90741000       1.31756000       0.93198000       1.35475844       0.44627185       3.09705360
Cr      -0.25008000      -0.78413000       4.63534000       0.28228724       0.29939956      -2.03984795
Cr       5.28917000       0.34467000       2.83055000       1.62278202      -0.56262859       0.34988511
O        0.65927000      -0.49030000       6.35056000      -1.64157495      -1.29123686       0.52511467
O        4.52083000       0.08392000       1.06771000       0.11069697       0.65321740      -3.01937137
O        3.03107000      -0.10410000       5.72559000       1.46961829       0.82204608      -0.63114016
O        2.04530000      -0.33241000       1.55109000       0.17460588      -0.27702997       0.15183184
O       -1.73481000       0.41927000       4.83094000      -1.37041169       0.62729895       0.33140851
O        6.29302000       2.04623000       2.61430000       1.16606876      -0.18872710       0.03089745
O        0.89551000       1.04318000       4.28726000      -0.15457260      -0.65035024      -0.12132351
O        3.79965000       1.51399000       3.06946000      -2.40450172      -0.05221715       0.77744472
Zn      -2.79669000      -1.69169000       6.38021000      -0.02160527       0.06691986      -0.97006680
Zn       7.61552000       2.03766000       0.98310000      -0.94589699      -0.63176778       0.97759929
Zn       2.58709000      -0.38602000       3.57611000       0.26404630       0.52527096      -0.01718709
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.63415893 magmom=12.0001078 free_energy=-96.63415893 stress="0.02498133289450631 -0.002350317849551285 -0.0035907680060437946 -0.002350317849551285 0.003984626524391736 0.011804833783279234 -0.0035907680060437946 0.011804833783279234 -0.0015587134074850186" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54029000       1.19860000       6.14484000       1.14828700      -0.38835127       0.33357646
Cr       3.05488000       1.43904000       0.98752000      -1.26293391      -1.66901472       3.25781263
Cr      -0.33534000      -0.73594000       4.58938000      -0.49665599       0.08382883       0.19529211
Cr       5.33395000       0.29759000       2.83493000      -0.43438566      -0.27359348       0.59858742
O        0.47515000      -0.50123000       6.40142000       0.27942367      -0.32079019      -0.41667093
O        4.60397000       0.12307000       0.79815000       1.05579306       1.46496458       1.03293734
O        3.28620000      -0.06963000       5.77340000      -2.41948628      -0.40516715      -0.57918998
O        2.09777000      -0.33107000       1.65131000       0.23090994       0.23641229      -0.47928424
O       -1.94207000       0.47171000       4.78940000       0.19399073       0.15451264       0.19449962
O        6.35132000       1.98279000       2.74288000       0.33689529       0.27714541      -1.54933209
O        0.70878000       1.01623000       4.39933000       0.67099770      -0.03594052      -1.38154325
O        3.71901000       1.46339000       3.19224000       0.05406348       0.12024795      -1.49997598
Zn      -2.69904000      -1.59884000       6.32128000      -0.26269634       0.14506560      -0.64109029
Zn       7.59397000       1.95755000       0.94030000       0.38358794      -0.00804019       1.05742547
Zn       2.52935000      -0.53012000       3.61274000       0.52220939       0.61872022      -0.12304427
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.77286666 magmom=12.0002037 free_energy=-96.77286666 stress="0.029013944365752168 0.007467283503379405 -0.0018277376676098358 0.007467283503379405 0.012922021824074792 0.011800967168375748 -0.0018277376676098358 0.011800967168375748 0.0072591671910632845" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53228000       1.21844000       6.14387000      -1.27178757      -1.55495430       0.10625905
Cr       3.12896000       1.46928000       1.18805000      -0.06599350      -0.70121212      -2.47498368
Cr      -0.43059000      -0.69666000       4.55575000       1.96445845       0.01236540       1.07835190
Cr       5.36986000       0.24953000       2.86441000      -0.70721377       0.71811199      -1.64314785
O        0.40565000      -0.58067000       6.42783000       0.39511303       0.48523884       0.19177142
O        4.75933000       0.35076000       0.74329000      -0.13596123      -0.84003635       2.38099423
O        3.07971000      -0.09031000       5.70700000      -0.16922251       0.78197709      -0.96940429
O        2.22021000      -0.28517000       1.63850000      -1.14063377       0.21551832       0.41098655
O       -2.05149000       0.55537000       4.75449000       0.26066473      -0.62627960       0.33832787
O        6.41423000       1.96186000       2.63830000      -0.55256009       0.18333600      -0.20665447
O        0.63187000       0.97993000       4.32174000       0.17847108       0.31697073      -0.44833651
O        3.67903000       1.44594000       3.03378000       1.39391363       0.42082770       0.70725566
Zn      -2.63341000      -1.51385000       6.24154000      -0.79785459      -0.54869589       0.17947016
Zn       7.58890000       1.88439000       0.95363000       0.54948456       0.35347737       0.38345722
Zn       2.50301000      -0.61943000       3.64200000       0.09912156       0.78335483      -0.03434726
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.44815547 magmom=12.0000924 free_energy=-96.44815547 stress="-0.022861357308853324 0.008291312036101832 0.011412973896017546 0.008291312036101832 -0.02247507273699946 0.009489771279029264 0.011412973896017546 0.009489771279029264 0.0138478798229634" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46024000       1.16296000       6.15852000      -0.96608638       0.17391437       0.37613399
Cr       3.16596000       1.45289000       1.23739000      -0.42765390       0.39222852      -1.46125280
Cr      -0.41535000      -0.67130000       4.58436000       0.86339336      -0.62778458      -0.56447151
Cr       5.38043000       0.25818000       2.81214000       0.78616712       1.50383894      -0.04526254
O        0.47484000      -0.55928000       6.49330000      -0.73385846       0.27176360       0.11010390
O        4.80422000       0.37654000       1.01373000      -0.82463939      -1.34223212      -2.88962693
O        2.77908000      -0.02738000       5.49746000       1.89863624      -0.32262554       0.05432376
O        2.20504000      -0.21656000       1.65952000      -0.60752915      -0.76727061       0.62726304
O       -2.03744000       0.52852000       4.74440000       0.30786336      -0.17335594       0.89370887
O        6.34898000       1.98745000       2.53999000       1.24674793       0.20571953       0.86433486
O        0.56870000       0.98965000       4.22661000       0.01849338       0.15990336       0.86940790
O        3.89119000       1.51729000       2.99784000      -2.00891438      -0.08032095       1.84166883
Zn      -2.61093000      -1.45945000       6.17835000      -0.52542476      -0.52502161       0.35321027
Zn       7.61205000       1.83354000       0.98720000       0.28322401       0.45171123       0.09373056
Zn       2.49013000      -0.65612000       3.66209000       0.68958102       0.67953179      -1.12327221
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.13651907 magmom=11.9996982 free_energy=-96.13651907 stress="-0.03716187938148199 -3.0706290031516606e-06 0.006832766992027251 -3.0706290031516606e-06 -0.03891174567812044 0.007839957859157896 0.006832766992027251 0.007839957859157896 0.022097918563011906" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32578000       1.10015000       6.17925000       2.14242798       2.01362118      -1.55364461
Cr       3.15611000       1.43562000       1.18860000      -2.01485770      -1.19928983       2.36136053
Cr      -0.33883000      -0.68428000       4.59692000      -1.61465887      -0.36588637       0.13507389
Cr       5.43138000       0.36618000       2.73562000      -0.81979869      -0.07471855       1.90538282
O        0.45651000      -0.49509000       6.59612000      -1.83920677      -1.58374645      -0.95849921
O        4.64088000       0.12294000       0.86935000       1.33987120       1.69259593       0.43465808
O        2.73688000       0.03847000       5.35520000       0.59351600      -0.42089576       1.95384673
O        2.11999000      -0.25982000       1.77633000       0.30641454      -0.30796914      -0.84289917
O       -1.92499000       0.45801000       4.83833000      -0.69672975       0.56937626      -0.24220068
O        6.43357000       2.06851000       2.63726000       0.36970561       0.04727097      -0.46348984
O        0.48890000       1.01735000       4.34778000       1.95123111      -0.15168826      -0.25605834
O        3.87283000       1.62402000       3.26668000       0.13055346      -0.33853482      -2.14469580
Zn      -2.61825000      -1.42216000       6.12608000      -0.70795122      -0.44175172       0.17780882
Zn       7.66198000       1.79617000       1.02786000       0.34962203       0.47549892      -0.32434899
Zn       2.51232000      -0.66259000       3.62105000       0.50986107       0.08611764      -0.18229424
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.81264144 magmom=11.9997023 free_energy=-95.81297552 stress="-0.016515119148841347 0.016699121184679817 -0.018330066360184402 0.016699121184679817 0.0037733813622753375 0.00209035918794503 -0.018330066360184402 0.00209035918794503 -0.017797654765279173" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.28341000       1.11839000       6.13329000       1.47669167       0.52454419       2.98645614
Cr       3.02950000       1.35151000       1.24017000       0.71872751      -0.31832536      -1.52501407
Cr      -0.32941000      -0.72944000       4.60997000       0.12649558       0.47349128       1.30914925
Cr       5.47435000       0.51662000       2.76562000      -0.48305194      -1.25341014       0.46128957
O        0.16381000      -0.65347000       6.56539000       0.86960883       0.31175146      -0.41107465
O        4.54730000       0.07905000       0.72043000       0.67275820       1.03484644       2.92553204
O        2.80616000       0.02920000       5.61070000       0.39140017      -0.91113285      -0.67541571
O        2.10061000      -0.38007000       1.74015000       0.05859460       0.55354989       0.11527603
O       -1.88830000       0.48594000       4.88969000      -1.08208562       0.13861733      -1.26887322
O       -0.72515000      -0.73126000       2.73077000      -1.10976890      -0.17307181      -1.42463189
O        0.65560000       1.00731000       4.46413000      -0.67990358      -0.19472953      -3.79843183
O        3.85420000       1.68665000       3.14131000       0.69806328      -0.31946824      -1.12335667
Zn      -2.67084000      -1.39635000       6.07360000      -0.84163674      -0.45487183       1.05165165
Zn       7.74649000       1.76779000       1.05949000      -0.67472427       0.09521195      -1.05512961
Zn       2.57573000      -0.65780000       3.56026000      -0.14116878       0.49299722       2.43257297
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-94.91534084 magmom=12.0006293 free_energy=-94.91534263 stress="-0.009302475935866559 0.0054445341398405706 -0.008383667284629998 0.0054445341398405706 -0.025897888673023884 0.009363292938645783 -0.008383667284629998 0.009363292938645783 -0.0013624844737217627" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34510000       1.16262000       6.20547000      -0.46201913      -1.31152987       0.97555776
Cr       2.92901000       1.23822000       1.22857000       1.94932298       2.09810142      -2.25442393
Cr      -0.34218000      -0.75102000       4.65075000       0.51097849       1.07068476      -2.57768074
Cr       5.49929000       0.60455000       2.82127000      -0.66890896      -2.03415795      -2.65664461
O        0.05591000      -0.79506000       6.46087000       2.18006819       0.73386133       1.47098353
O        4.53120000       0.27759000       0.94603000       0.62023897      -1.03819565      -2.28359977
O        2.85418000      -0.13015000       5.84386000       0.46351750       0.72427798      -1.33610265
O        2.11770000      -0.40242000       1.67844000      -0.87374270      -0.16263268       1.30143804
O       -2.01233000       0.56108000       4.71710000       0.03764636      -0.43506562       0.85791455
O       -0.79589000      -0.65803000       2.65475000       0.28885615      -0.17958139      -0.10955986
O        0.77256000       0.94913000       4.17800000      -0.52646714       0.05452172       1.74546660
O        3.94633000       1.70227000       2.78560000      -1.82013391       0.45164342       3.34519627
Zn      -2.76777000      -1.38864000       6.06960000      -0.31553968      -0.39823833       1.31794941
Zn       7.80145000       1.73656000       1.04301000      -1.44377708       0.00365256      -0.84281222
Zn       2.64979000      -0.62749000       3.60219000       0.05995998       0.42265830       1.04631762
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.124904 magmom=11.999495 free_energy=-96.124904 stress="-0.002159161184284833 0.01050788169758319 0.0016679301241243028 0.01050788169758319 0.0025771263582277833 0.009299603593366828 0.0016679301241243028 0.009299603593366828 -0.006616710743604929" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40720000       1.13751000       6.32824000       0.68039694      -1.97037884      -3.92277184
Cr       2.95278000       1.24372000       1.11679000      -0.02619525       1.92411399       2.45449300
Cr      -0.32464000      -0.71775000       4.57788000       0.14422578       0.08626705      -0.69709998
Cr       5.47040000       0.57652000       2.72639000      -2.22528670      -1.14313143      -0.75336438
O        0.37838000      -0.75931000       6.52296000      -1.19184366       1.27003743      -1.30857704
O        4.58362000       0.29297000       0.81907000       0.73758226      -0.95610796       2.40130058
O        2.91502000      -0.17774000       5.80683000       0.76035836       0.83876363      -0.88729603
O        2.07284000      -0.38083000       1.79233000       0.13528113      -0.10792390      -0.66110206
O        5.78102000       0.58551000       4.64242000       0.87530969      -0.06001614       1.08130588
O       -0.87862000      -0.66564000       2.56605000       0.84665436      -0.19538397       0.06437289
O        0.72855000       0.91149000       4.22771000      -0.13804554       0.78813819       1.26167020
O        3.77491000       1.72812000       2.95512000       1.02136436      -0.85893660      -0.22111506
Zn      -2.87481000      -1.40161000       6.13214000      -0.04239462      -0.49155954       0.26531117
Zn       7.77897000       1.70462000       0.98355000      -0.38195918       0.46590369      -0.10769470
Zn       2.71361000      -0.57854000       3.70718000      -1.19544792       0.41021443       1.03056737
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.4547077 magmom=12.0001648 free_energy=-96.4547077 stress="0.0007892036081319407 -0.0031139197921318217 -0.004440691761216343 -0.0031139197921318217 -0.013471487737240112 0.0007789545321019828 -0.004440691761216343 0.0007789545321019828 -0.00789636069192104" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49095000       1.03792000       6.26422000       0.50656220       1.81541357      -0.74125751
Cr       2.98404000       1.34607000       1.12996000       0.50368131       0.15994967       1.71897408
Cr      -0.31155000      -0.68353000       4.47080000      -1.41766557       0.11874284       1.04222835
Cr       5.35811000       0.48895000       2.61156000       1.28075011      -0.65509220       3.60880682
O        0.56930000      -0.55354000       6.46957000      -1.82145366      -1.56630076       0.67007422
O        4.67964000       0.14162000       0.92339000      -1.14488542       0.01633178      -1.62469814
O        3.04283000      -0.08888000       5.65111000       0.27544559       0.01085731       0.95007084
O        2.10273000      -0.35375000       1.77085000      -0.04987876      -0.08381744      -0.32758446
O        5.89179000       0.60768000       4.70983000       0.10517337      -0.28971400      -0.47684313
O        6.41473000       2.17652000       2.52683000       0.19376639      -0.19555592      -0.38485866
O        0.65618000       1.00613000       4.50833000       1.54139660       0.41219628      -1.99724623
O        3.78199000       1.59546000       3.07823000      -0.30409658      -0.09600596      -0.93704338
Zn      -2.96587000      -1.43539000       6.20050000       0.81949544      -0.49892892      -0.52847222
Zn       7.73635000       1.69426000       0.92605000       0.08112016       0.79789447       0.63193934
Zn       2.71631000      -0.51443000       3.83840000      -0.56941119       0.05402928      -1.60408992
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.55101617 magmom=11.9997827 free_energy=-96.55101617 stress="-0.013407851831762293 -0.002519894565671595 -0.005266337662440069 -0.002519894565671595 -0.02400075001768494 0.001214013152325734 -0.005266337662440069 0.001214013152325734 -0.003810200692450399" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55119000       1.02952000       6.16765000      -2.24540448       1.05277930       2.08407313
Cr       3.02149000       1.42153000       1.22261000      -0.31373527      -1.97631595      -1.67490452
Cr      -0.36138000      -0.65544000       4.44273000       1.44903066       0.34669218       1.07437235
Cr       5.34836000       0.38462000       2.68656000       1.35668062      -0.80908884       0.51330732
O        0.48013000      -0.56993000       6.51484000       0.20052341      -0.38574862      -1.17928047
O        4.59205000       0.07696000       0.88475000       1.19898304       1.59729459      -0.21964158
O        3.15883000      -0.02583000       5.68590000      -0.40726416      -0.94546204      -0.04504728
O        2.14893000      -0.32952000       1.68620000      -1.22273177       0.12792327       0.80140041
O       -1.84205000       0.59158000       4.65610000      -1.25457253      -0.39206672      -0.19104995
O        6.39357000       2.06770000       2.49412000       0.13902953       0.11727130      -0.02966172
O        0.78265000       1.12571000       4.40397000      -0.11852467      -0.93716023      -1.29609370
O        3.79032000       1.47609000       2.99295000      -0.70185627       0.86079529       1.56675869
Zn      -2.99389000      -1.48005000       6.23228000       1.35479255       0.09520229       0.26372122
Zn       7.71257000       1.72118000       0.91266000       0.54607860       0.84187585       0.66823695
Zn       2.68277000      -0.46039000       3.86393000       0.01897074       0.40600832      -2.33619085
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.91376808 magmom=12.000043 free_energy=-96.91376808 stress="0.010622578153401053 0.00477589388751615 -0.008387981097420843 0.00477589388751615 0.005277993125238344 0.005304792317938185 -0.008387981097420843 0.005304792317938185 0.01702540446282363" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47268000       1.08553000       6.18187000      -0.16305234      -0.27808546      -0.85427690
Cr       3.03699000       1.40427000       1.21701000      -0.44171017      -0.05287641      -0.99781082
Cr      -0.34514000      -0.62452000       4.48085000       2.00463578      -1.22287626      -0.52481953
Cr       5.43223000       0.24822000       2.80865000      -1.75712679       0.79370474      -2.36260362
O        0.45751000      -0.66020000       6.40274000      -0.25695976       0.72700143      -0.31950299
O        4.61645000       0.24718000       0.78967000       0.13742950      -0.68273915       1.54716627
O        3.14655000      -0.12646000       5.75954000      -0.84501427      -0.10265585      -0.38847916
O        2.08338000      -0.29234000       1.70635000       0.37485479      -0.10815830      -0.21650493
O       -1.87447000       0.53127000       4.55716000      -0.11901103       0.32256650       2.32199277
O        6.35384000       1.96129000       2.50378000       0.88758509       0.24965585       0.12775900
O        0.86107000       1.02169000       4.09296000      -0.91934349      -0.56923686       1.77478691
O        3.70451000       1.50050000       3.09277000       0.79672327      -0.25762213      -0.13141536
Zn      -2.95349000      -1.52165000       6.27497000       0.30194802      -0.17622511       0.17917318
Zn       7.71734000       1.79214000       0.93796000       0.30855822       0.57973982       0.41615167
Zn       2.64616000      -0.38045000       3.76297000      -0.30951680       0.77780717      -0.57161651
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.33454828 magmom=11.9995059 free_energy=-96.33454828 stress="-0.01191491217146089 -0.018365056847045962 0.0010781499477488818 -0.018365056847045962 -0.023992916024954646 0.022663744957075335 0.0010781499477488818 0.022663744957075335 0.03259597669320828" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35547000       1.12820000       6.17940000       2.07356635      -1.58282721      -0.72040978
Cr       3.02531000       1.36982000       1.14478000       0.63935133       1.35948477       0.49993393
Cr      -0.23747000      -0.67586000       4.49870000      -2.62934654      -3.10086877      -1.29144675
Cr       5.46107000       0.14930000       2.83843000      -0.87143686       1.98459305      -0.13230988
O        0.44381000      -0.59648000       6.24003000      -0.94570711       0.08084388       3.29776837
O        4.63273000       0.31497000       0.91265000      -0.30880958      -1.46699898      -0.80019325
O        2.94539000      -0.26401000       5.75212000       0.83681136       1.75682658      -0.70444667
O        2.12804000      -0.26265000       1.66501000      -0.13995992      -0.67015142      -0.30317105
O       -1.90012000       0.48205000       4.75464000       0.39240418      -0.26640284       0.00918030
O        6.40596000       1.89013000       2.57705000       0.70079667       0.06584826      -0.20955864
O        0.77471000       0.79613000       4.10084000       1.53461637       2.84018479       0.46741410
O        3.75731000       1.49999000       3.14438000      -0.60213296      -0.70635013      -0.81267193
Zn      -2.88659000      -1.57482000       6.33446000      -0.08167132      -0.37661019      -0.48849643
Zn       7.73923000       1.90314000       0.99129000      -0.60397652       0.07421261       0.09177085
Zn       2.59071000      -0.24635000       3.61253000       0.00549457       0.00821562       1.09663684
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.74908102 magmom=11.9994979 free_energy=-96.74908102 stress="-0.012528963323642077 -0.0032189209435754115 -0.007637584059796062 -0.0032189209435754115 -0.01475679414682419 0.011208316503228805 -0.007637584059796062 0.011208316503228805 0.008897574939573105" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34906000       1.10247000       6.14126000       0.94117133       0.28461533       0.99694410
Cr       3.05182000       1.39348000       1.10234000       0.69893860      -1.05974607       0.77392768
Cr      -0.24011000      -0.87348000       4.47945000      -0.35899371       0.90173281       2.41403626
Cr       5.44053000       0.15488000       2.84141000      -0.57164985       0.56134558      -0.29621630
O        0.31317000      -0.52596000       6.52687000       0.25932431      -0.95435720      -1.94431092
O        4.56868000       0.11046000       0.90894000       1.69825792       0.95191755      -0.39248349
O        2.83210000      -0.11803000       5.61863000       0.98647417       0.49354912      -0.06919595
O        2.19096000      -0.32463000       1.54776000      -1.30099757       0.12113958       1.01278512
O       -1.80423000       0.37814000       4.92850000      -0.58944300      -0.18193402      -1.63550651
O        6.50579000       1.84894000       2.65725000      -0.73210416       0.16045586      -0.76506406
O        0.82351000       0.94963000       4.28624000      -0.40880135      -0.43810178      -1.16631743
O        3.77545000       1.41129000       3.00663000       0.39896379       0.16942977       0.62016500
Zn      -2.82402000      -1.64864000       6.37561000      -0.25867385      -0.33837339      -0.49371877
Zn       7.73596000       2.02033000       1.04910000      -0.62201486      -0.36207695      -0.42066389
Zn       2.52955000      -0.10350000       3.50882000      -0.14045178      -0.30959619       1.36561915
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.71709774 magmom=11.9997516 free_energy=-96.71709774 stress="-0.02717876543989076 0.018157762541481718 -0.00942945925802889 0.018157762541481718 -0.011686624169219685 0.0019350641244858192 -0.00942945925802889 0.0019350641244858192 -0.007870329797787049" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40949000       1.08714000       6.14709000      -0.13964633       1.08768961       0.12033423
Cr       3.11053000       1.37052000       1.10894000       0.09880046      -1.03759051       0.10450672
Cr      -0.29829000      -1.02173000       4.56555000      -0.01516035       2.42751935       0.55127016
Cr       5.40694000       0.19617000       2.82425000       0.71584786      -0.64832685      -0.62726296
O        0.29906000      -0.61613000       6.51804000       0.80094669      -0.08189098      -1.37091745
O        4.71934000       0.06055000       0.82124000       0.06053681       0.92160266       0.46004061
O        2.88636000       0.09681000       5.51257000       1.23150468      -1.11107981       0.43964260
O        2.14733000      -0.36744000       1.59022000       0.70656237       0.31778000       0.47853443
O       -1.79435000       0.26140000       4.76667000      -1.55878561      -0.38836542       0.02184292
O        6.44388000       1.84890000       2.66822000       0.25836625       0.40792602      -0.57380422
O        0.81466000       1.07091000       4.30992000       0.40717982      -1.23820780      -1.05002111
O        3.85722000       1.38009000       2.94572000      -0.61688962       0.48459571       0.73034798
Zn      -2.78201000      -1.72667000       6.38743000      -0.60859900      -0.20527651      -0.67598728
Zn       7.69166000       2.10086000       1.07933000      -0.85159223      -0.64111773      -0.13108034
Zn       2.46894000       0.00823000       3.48729000      -0.48907179      -0.29525774       1.52255370
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.37622225 magmom=11.9990469 free_energy=-96.37622225 stress="-0.017020586435959557 0.03265957722805388 -0.0039196724121865305 0.03265957722805388 -0.0036003079342898877 -0.0061452636071320215 -0.0039196724121865305 -0.0061452636071320215 -0.01783177840638729" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49459000       1.11830000       6.14390000       1.33954947      -0.14225881      -1.88269299
Cr       3.17727000       1.28941000       1.13487000       0.18310993       1.00677586      -0.54335938
Cr      -0.38185000      -1.05066000       4.66640000       0.15169113       0.82928224      -3.10808402
Cr       5.41449000       0.20916000       2.76498000       0.03117298       0.01151290      -1.12172550
O        0.50178000      -0.69732000       6.28781000      -0.46558688       1.05999541       2.88036710
O        4.82513000       0.19184000       0.78975000      -0.93480441      -0.66922538       0.07517833
O        3.07354000       0.10512000       5.54327000      -0.78848510      -1.15897520       0.23704667
O        2.26615000      -0.36480000       1.67736000      -0.56473201      -0.48243264      -0.78890537
O       -1.96882000       0.15219000       4.59016000       0.54317376       0.78148897       2.69942361
O        6.38805000       1.90356000       2.60999000       1.03156431      -0.07742770       0.15922348
O        0.79917000       0.98979000       4.20082000      -0.63304187      -0.11169554       0.87411588
O        3.87098000       1.44517000       2.97109000      -0.87740013      -0.44733891      -0.14806571
Zn       4.52757000       1.10676000       6.36471000      -0.15897492       0.22294920      -0.58783312
Zn       7.60735000       2.14487000       1.10045000       0.66810422      -0.33153317       0.27524669
Zn       2.38937000       0.09945000       3.55086000       0.47465952      -0.49111723       0.98006432
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.17220605 magmom=12.0000981 free_energy=-96.17220605 stress="-0.024362885541613817 0.022047854563226443 0.004637488091849705 0.022047854563226443 -0.018028817082336994 0.0006477803174295327 0.004637488091849705 0.0006477803174295327 -0.001222017126315566" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64685000       1.14614000       6.04075000      -2.38526518      -1.50316768       1.98163691
Cr       3.24315000       1.25635000       1.12593000      -1.88357791       1.36128286      -1.22340476
Cr      -0.46380000      -1.01499000       4.63219000       1.76551828       1.56370529       0.37793465
Cr       5.43945000       0.21680000       2.66592000      -1.30256946       0.07754355       1.04794227
O        0.67781000      -0.61343000       6.46639000      -1.29352948      -0.23550892      -1.24674030
O        4.74617000       0.18750000       0.77981000       2.07966504      -1.09550638       0.32510333
O        3.09914000      -0.14763000       5.62435000       0.38395599       0.92661258      -1.35812587
O        2.34250000      -0.42846000       1.60817000      -1.78288832       0.17603799       0.75679009
O       -2.02927000       0.20818000       4.77114000       0.18741631       0.38698926      -0.18916775
O        6.43162000       1.92994000       2.62075000      -0.18773586      -0.37778957       0.76015211
O        0.63873000       0.88049000       4.28304000       0.17419583      -0.28896615      -0.01622735
O        3.79146000       1.45883000       2.93987000       0.95527958      -0.48182924       1.12755421
Zn       4.53109000       1.03535000       6.30743000       0.45136576       0.14262548      -0.12224740
Zn       7.55400000       2.17677000       1.12743000       1.77372278      -0.02108890      -0.65163745
Zn       2.32522000       0.16989000       3.67270000       1.06444664      -0.63094019      -1.56956270
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.61013106 magmom=12.0002395 free_energy=-95.61013258 stress="-0.008740885616597808 -0.015667794794974457 -0.007645718418911534 -0.015667794794974457 -0.03266352567538352 0.012015695610629647 -0.007645718418911534 0.012015695610629647 -0.03268480510210676" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.67575000       1.06435000       6.03334000      -2.33829980      -0.76173385       2.37703801
Cr       3.21304000       1.28880000       1.05711000      -0.85782137      -0.56503458       2.05414102
Cr      -0.47180000      -0.88239000       4.60734000       0.63031703      -0.20097081       2.31260060
Cr       5.40839000       0.22494000       2.62295000       0.00380511      -0.85032310       3.14404661
O        0.66324000      -0.56427000       6.51452000      -0.23759995      -1.18205639      -1.76109101
O        4.89522000       0.00359000       0.84088000      -0.68534260       0.82069749      -1.28616370
O        3.13129000      -0.26182000       5.45652000      -0.25688086       0.93129964      -0.31931506
O        9.48110000       2.46072000       1.61556000       0.73607938       0.51150901       0.61919562
O       -1.97618000       0.37940000       4.96289000      -0.12126860      -0.66997607      -1.21472269
O        6.39703000       1.88135000       2.76456000       0.46011815       0.57908625      -1.82384993
O        0.48484000       0.75001000       4.44538000       2.38317130       1.48523927      -1.47272359
O        3.87071000       1.36913000       2.99534000      -0.80297397       0.11629797      -0.46074455
Zn       4.56339000       0.96811000       6.23141000       0.07104175       0.16446923       0.70444490
Zn       7.58279000       2.21413000       1.13031000       0.29192110      -0.20090643      -0.21559352
Zn       2.30849000       0.21793000       3.73751000       0.72373333      -0.17759762      -2.65726269
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.99275089 magmom=11.9988718 free_energy=-95.9927559 stress="-0.03102909736953765 0.00346896169114291 0.0007746655480344405 0.00346896169114291 -0.027526802174892905 0.011050735955165427 0.0007746655480344405 0.011050735955165427 -0.01929871133343653" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54559000       0.89060000       6.16422000       1.75187854       1.39758424      -1.94654273
Cr       3.10690000       1.31085000       1.06641000       0.35992340      -0.68665196       1.41591417
Cr      -0.42608000      -0.72519000       4.69069000       1.91968811      -1.50066517      -1.75821310
Cr       5.37206000       0.18364000       2.73863000       1.32329470      -0.42948719       0.60541805
O        0.59358000      -0.76562000       6.35792000      -0.80423954       0.07633658       2.28420702
O        4.92598000      -0.08889000       0.79769000      -1.35228305       0.69770066       0.17999752
O        3.15224000      -0.16655000       5.27353000      -0.67669742      -0.79367305       2.80439762
O        2.17917000      -0.37229000       1.73969000       0.61880644      -0.19029861      -0.60339815
O       -1.87058000       0.46720000       4.90154000      -1.13315219      -0.07649554      -0.94577045
O        6.38397000       1.90325000       2.69183000       0.50448979       0.26625336       0.00087638
O        0.69372000       0.86654000       4.38271000      -0.91567945       0.65107931      -0.34983216
O        3.86736000       1.30535000       2.93991000      -0.91131610       1.31409478      -0.48266877
Zn       4.60003000       0.89882000       6.17489000      -0.63593340      -0.14274343       0.80769935
Zn       7.63975000       2.25267000       1.11872000      -0.51462087      -0.26568790      -0.20329547
Zn       2.32736000       0.26618000       3.66089000       0.46584105      -0.31734606      -1.80878928
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.85759007 magmom=12.000013 free_energy=-95.85759044 stress="-0.02960776761073557 0.0006425329371526927 -0.0040878347087162795 0.0006425329371526927 -0.026729659785333953 -0.002254369882264606 -0.0040878347087162795 -0.002254369882264606 -0.0483128769544457" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49456000       0.80028000       6.19380000       0.42756121       2.11510549      -0.49655831
Cr       3.03034000       1.30152000       1.13976000       2.06142245      -0.42977807      -1.53846344
Cr      -0.30346000      -0.66833000       4.69605000       0.15830890      -1.14422274      -2.30783857
Cr       5.40310000       0.13898000       2.87172000       0.23273822       1.97666808      -2.90552541
O        0.44555000      -0.90494000       6.51782000      -0.37677096       0.91599796      -1.05400299
O        4.68206000      -0.04716000       0.78442000       0.31639405       0.92892804       0.92055198
O        3.01328000      -0.21376000       5.56063000       0.01362724      -0.50339749      -0.30011889
O        2.28817000      -0.36223000       1.72596000      -2.64580880      -0.73446015      -0.11107521
O       -1.87266000       0.49881000       4.65599000      -0.51843969       0.11602971       1.90383001
O        6.41999000       1.95862000       2.62069000       0.45852952      -0.22884746       0.55997735
O        0.75880000       1.09806000       4.28835000      -0.45178222      -1.18679907       0.44268461
O        3.80645000       1.44228000       2.83517000       0.63452834      -0.74766230       2.75281783
Zn       4.60256000       0.83552000       6.16197000      -0.11061710      -0.25978772       0.40480091
Zn       7.67092000       2.28041000       1.10042000      -0.24114461      -0.22029428      -0.09750538
Zn       2.36684000       0.29280000       3.52362000       0.04145344      -0.59748000       1.82642552
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.46469662 magmom=12.0005474 free_energy=-96.46469967 stress="-0.043164000087249306 0.004929113511877804 9.660277649209349e-05 0.004929113511877804 -0.019382271303206373 0.00388789252641178 9.660277649209349e-05 0.00388789252641178 -0.00891811142698207" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47805000       0.84924000       6.19229000      -1.30093323       1.79614069       0.92296711
Cr       3.06617000       1.27870000       1.14685000      -0.85863476       0.37270185       0.29899324
Cr      -0.22508000      -0.69706000       4.58247000      -2.44502380      -0.60483865      -0.09016412
Cr       5.45675000       0.20545000       2.83928000      -0.42837557       1.27292921      -0.69771166
O        0.33210000      -0.79307000       6.51018000       0.63385877       0.24494596      -0.62502423
O        4.51711000       0.09566000       0.88754000       2.02586320      -0.79222636       0.07536981
O       -4.97198000      -0.34452000       5.77052000       1.16688974       0.41149970      -1.15044331
O        9.38534000       2.43886000       1.65197000       1.87997732       0.71735309       1.27305334
O       -1.92342000       0.51861000       4.71109000       0.80975089      -0.34239433       0.36622658
O        6.47346000       1.97030000       2.66659000       0.11582388      -0.03802787      -0.28890369
O        0.72227000       1.04422000       4.31462000       1.27524692      -1.25419207      -0.35110113
O        3.86257000       1.46032000       3.08408000      -0.41771108      -0.37177194      -0.31120044
Zn       4.59565000       0.78072000       6.17201000      -0.14910678      -0.25480521       0.21254904
Zn       7.66950000       2.29461000       1.07942000      -1.90494716      -0.37920621      -0.75178346
Zn       2.39773000       0.28096000       3.49758000      -0.40267836      -0.77810787       1.11717292
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.49971925 magmom=11.9999103 free_energy=-96.49971934 stress="-0.024074553304079774 -0.018098200250557545 0.010027948848721586 -0.018098200250557545 -0.037307400010714226 0.010168171859770033 0.010027948848721586 0.010168171859770033 -0.008680988606022231" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40854000       0.99885000       6.23828000       0.72231121      -0.43576222      -0.71877424
Cr       3.08159000       1.27779000       1.15779000       0.01999597       0.15860683       0.66559884
Cr      -0.28056000      -0.77962000       4.47555000       0.61755086      -0.68835046       2.56029269
Cr       5.48720000       0.34053000       2.76537000      -1.14207748      -1.44549950       1.49145392
O        0.38430000      -0.62583000       6.40719000      -0.11422507      -1.22306747       1.55080453
O        4.65279000       0.09280000       0.96872000       0.03783184      -0.11802709      -0.73361562
O       -4.93692000      -0.35951000       5.76004000       0.60217620       1.91761309      -0.67849571
O        9.47357000       2.43411000       1.75661000      -0.25026171       0.39377425      -0.69484323
O       -1.80384000       0.46313000       4.81269000      -0.57557162      -0.37022631      -1.10053185
O        6.48990000       1.98049000       2.65947000      -0.05624599       0.55642534      -1.50430934
O        0.82084000       0.78889000       4.33931000      -0.90759282       1.65871922      -0.26437432
O        3.91278000       1.42557000       3.24754000      -0.03606183       0.66871295      -1.50458981
Zn       4.57890000       0.72011000       6.18695000      -0.24562269      -0.16890820      -0.71644506
Zn       7.58982000       2.29566000       1.03416000       0.51163268      -0.22019312       0.42621415
Zn       2.41127000       0.22718000       3.53957000       0.81616047      -0.68381731       1.22161506
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.51834745 magmom=11.999989 free_energy=-96.51834745 stress="-0.0505064496132735 0.013039199498223013 0.00571718311894119 0.013039199498223013 -0.03941691558853634 0.0031844927792370396 0.00571718311894119 0.0031844927792370396 -0.019988912254885402" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38316000       1.14343000       6.24254000       2.24928062      -1.38975742      -0.72996151
Cr       3.10230000       1.29733000       1.21133000       2.01051611       0.27834097       0.39470741
Cr      -0.32017000      -0.90431000       4.49554000       1.96772458       0.85895364       0.63947478
Cr       5.45662000       0.40632000       2.75801000       0.13761309      -2.21743196      -0.43915014
O        0.48976000      -0.63906000       6.57232000      -1.62940759       0.41794145      -0.77701942
O        4.79915000       0.03840000       0.91272000      -0.75929016       0.87976573      -0.46217860
O        2.96489000      -0.07862000       5.59880000      -1.60145516      -0.63389485      -0.43975582
O        2.30832000      -0.40169000       1.75293000      -2.02273941       0.16530825       0.29431074
O       -1.75439000       0.32613000       4.67921000      -2.14806128       0.38077540       0.43898847
O        6.44903000       2.05781000       2.50412000       0.32719835      -0.03540056       1.41227732
O        0.73471000       0.79815000       4.37296000       0.00000463       0.77850550      -0.41981304
O        3.96790000       1.51893000       3.09286000      -1.68118066       0.27503198       0.09857747
Zn       4.55571000       0.65463000       6.16695000       1.21524625       0.39942791      -0.61714407
Zn       7.51973000       2.29172000       1.00135000       1.52558883      -0.00433305       0.24350139
Zn       2.46475000       0.13112000       3.65031000       0.40896183      -0.15323300       0.36318502
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.90784987 magmom=11.9998647 free_energy=-95.90784991 stress="-0.0366388783470632 0.032686087788405704 -0.021354665151034517 0.032686087788405704 -0.01750226085311256 -0.008949998030079856 -0.021354665151034517 -0.008949998030079856 -0.08166356660145818" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.84954000      -1.68737000       6.20011000      -1.97466976      -0.42565326       0.17924911
Cr       3.19787000       1.34199000       1.26630000      -2.43093809       0.38291055      -3.38260064
Cr      -0.29308000      -0.97050000       4.57318000      -2.64593021       2.82918873       0.49195835
Cr       5.41826000       0.35786000       2.72941000       0.39950982       0.33279289      -0.79055123
O        0.42526000      -0.63530000       6.64202000      -0.23040430       0.47935375      -1.95876415
O        4.78378000       0.15100000       0.79740000       0.19510851       0.47939198       1.32715075
O        2.78052000       0.09202000       5.48459000       2.03374123      -1.18996029       2.57542997
O        2.17591000      -0.30358000       1.74408000       0.17560753      -0.17223693       0.79472649
O       -2.01053000       0.25960000       4.58479000       0.70767822       0.74223233       1.66073362
O        6.42823000       2.09100000       2.60868000       0.59275846      -0.67998133       0.01677652
O        0.63060000       0.94789000       4.37952000       1.96061318      -1.64711252      -0.38182043
O        3.82553000       1.63296000       2.93098000       0.51631009      -0.82128179       3.22790249
Zn       4.58093000       0.60489000       6.10534000       0.46095676       0.00170718      -0.32920417
Zn       7.52465000       2.29445000       0.98895000       1.07604065       0.06049850       0.89409692
Zn       2.53955000       0.01705000       3.75216000      -0.83638210      -0.37184980      -4.32508361
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.49452026 magmom=12.0005125 free_energy=-96.49454444 stress="-0.015096121405093968 0.007063619667817337 -0.006921970209790245 0.007063619667817337 -0.010716130092715432 0.0006004669881649044 -0.006921970209790245 0.0006004669881649044 -0.030862063338129568" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.87838000      -1.64863000       6.16555000      -0.52604570      -1.63325249       0.27792617
Cr       3.15867000       1.41902000       1.17182000      -2.78579319       1.03651847       0.85399526
Cr      -0.37356000      -0.89069000       4.67009000      -0.04556925       0.92170894      -1.29379249
Cr       5.42065000       0.30571000       2.68843000       0.29041163       0.27432651       2.27251857
O        0.36269000      -0.52909000       6.42077000       0.36752935       0.12405577       2.04319962
O        4.70944000       0.35817000       0.87605000       0.15559074      -1.20341274      -0.63137826
O        2.85956000       0.00214000       5.76624000      -0.03062614       0.14525740      -1.36062506
O        2.11903000      -0.21966000       1.82535000       0.73581035      -0.16343134      -1.63140856
O       -2.09408000       0.35473000       4.66446000       2.56416677      -0.10287698      -0.86828629
O        6.44735000       1.97993000       2.76866000      -0.04164047       0.30040658      -1.73215137
O        0.74017000       0.89167000       4.36703000      -0.56383512       0.39934285      -0.30016438
O        3.74284000       1.58963000       3.14703000       0.25860102      -0.37097054      -1.31082287
Zn       4.63363000       0.56283000       6.04326000      -0.39607775       0.28387566       2.25670324
Zn       7.58955000       2.30816000       1.01910000       0.41923720       0.05488326       0.61961184
Zn       2.57540000      -0.11560000       3.67986000      -0.40175943      -0.06643136       0.80467456
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.33798709 magmom=11.9998434 free_energy=-96.33799183 stress="-0.03890110566516638 -0.004951368436545345 -0.0011785124158516245 -0.004951368436545345 -0.057116040711109095 0.006856916795174846 -0.0011785124158516245 0.006856916795174846 -0.0034605127911750393" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35495000       1.22327000       6.15286000       1.61780841      -0.96647683       1.14793955
Cr      10.84259000       1.53738000       1.10211000       2.13625335      -0.46884481       1.31825843
Cr      -0.44552000      -0.75120000       4.69093000       4.58877365      -0.58451511      -1.62601279
Cr       5.44676000       0.27286000       2.75284000      -1.28773702      -0.10617873      -0.41005283
O        0.39155000      -0.43743000       6.48639000      -1.06082052      -0.96511077      -0.36824345
O        4.59178000       0.35331000       0.90464000       0.26147447      -0.56169588      -0.25544226
O        2.91374000      -0.11907000       5.82088000      -0.34985260       1.17840830      -1.51414653
O        2.20173000      -0.16457000       1.63299000      -1.79433884       0.02652645       0.70725998
O       -1.78564000       0.44514000       4.64343000      -3.64414208       0.39103809       0.97329667
O        6.43404000       1.91944000       2.65597000       0.40920553       1.07982824      -0.43036176
O        0.75324000       0.89811000       4.34267000      -0.20499869       0.67551516      -0.67581250
O        3.74670000       1.48775000       3.16908000       0.11843639       0.39902875      -0.59614933
Zn       4.68018000       0.53869000       6.07487000      -0.02492837      -0.08087268       0.94863853
Zn       7.67274000       2.33054000       1.08274000      -0.43542767      -0.10951788      -0.14660109
Zn       2.58645000      -0.24835000       3.62628000      -0.32970601       0.09286770       0.92742939
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.78149499 magmom=12.00439 free_energy=-96.78284888 stress="-0.04520318225829401 -0.01654441289797655 0.005397023204397017 -0.01654441289797655 -0.030860886070919753 0.001677685983620115 0.005397023204397017 0.001677685983620115 -0.008455038648133543" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37957000       1.13323000       6.19272000       0.46451210       0.79835928      -0.27388947
Cr      10.78485000       1.60804000       1.11981000       1.47952475      -2.24375780       0.77261903
Cr      -0.31771000      -0.64808000       4.61012000      -0.34312064      -0.55581214      -1.09990193
Cr       5.42001000       0.25602000       2.79497000      -0.75883755       1.15096958      -1.20230294
O        0.33050000      -0.51997000       6.51433000      -0.08585146      -0.26240986      -1.41014391
O        4.51285000       0.23371000       0.86644000       1.25304732       1.34904576       0.11407880
O        2.82015000      -0.06660000       5.60191000       0.62344452      -0.07690677       0.13434828
O        2.07667000      -0.09241000       1.53758000       1.05705069       0.19590511       2.18437727
O       -1.92357000       0.55045000       4.72298000       0.83818760      -0.19576298      -0.86192009
O        6.41056000       2.02029000       2.50199000      -0.13966816      -0.28033338       1.53767902
O        0.72084000       1.03834000       4.26849000      -0.17684910       0.14816671       0.13236375
O        3.77326000       1.48018000       3.02928000      -0.68572646       0.47987467       0.26376148
Zn      -3.14195000       0.51924000       6.15811000      -1.12177922      -0.22841543       0.95498278
Zn       7.71336000       2.34716000       1.13189000      -2.49373515      -0.61945205      -1.27486261
Zn       2.58291000      -0.36265000       3.62888000       0.08980074       0.34052929       0.02881054
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.56818871 magmom=11.9999012 free_energy=-96.56818885 stress="-0.01974521854163858 0.003955782925377712 -0.002966007691228945 0.003955782925377712 -0.03539985521176818 0.00013928769593989573 -0.002966007691228945 0.00013928769593989573 -0.05141157776280043" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43536000       1.08561000       6.21251000      -1.28618495       1.37652494      -1.86891375
Cr      10.83847000       1.56332000       1.17110000       0.15517060      -0.24211112      -1.52779559
Cr      -0.20442000      -0.58699000       4.46480000      -4.01906839      -0.12372609       0.42017577
Cr       5.35598000       0.31247000       2.77001000      -0.23323452       1.67384288      -0.07354985
O        0.31585000      -0.62587000       6.34436000       0.85675532       0.79317919       1.77114345
O        4.59254000       0.28893000       0.82419000      -0.01244082       0.16521141       0.43008586
O        2.81049000      -0.01245000       5.47090000       1.55793419      -0.57187212       1.45979440
O        2.10797000      -0.01988000       1.83269000      -0.81128521      -1.28642516      -0.97549184
O        5.87027000       0.63549000       4.63975000       0.70834422      -0.41759320       0.58862381
O        6.33612000       2.08382000       2.62627000       1.00023605      -0.11330934      -0.84911590
O        0.66166000       1.15812000       4.24435000       1.52682649      -1.40842095      -0.17338166
O        3.71393000       1.58973000       2.91204000       0.62045674       0.01210961       1.33756766
Zn      -3.15477000       0.49161000       6.27167000      -0.26026077      -0.05034036      -1.73904354
Zn       7.64034000       2.33938000       1.13107000      -0.13916935      -0.04059412       0.84050339
Zn       2.58470000      -0.45835000       3.63133000       0.33592040       0.23352442       0.35939778
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.85440398 magmom=12.0011819 free_energy=-96.85440412 stress="-0.03192711660244943 -0.010640630595076027 -0.010492857823381368 -0.010640630595076027 -0.042285894089611226 0.010191180115864541 -0.010492857823381368 0.010191180115864541 -0.053609655155941724" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43498000       1.11790000       6.13049000       0.81237408       0.69574810       0.19303014
Cr       3.05266000       1.48390000       1.15829000      -0.57339727       0.79355016      -0.43274982
Cr      -0.29974000      -0.55672000       4.35599000      -0.14965691      -1.40826399       3.07659965
Cr       5.29343000       0.47491000       2.73957000       1.23298390       0.26759908       0.01107869
O        0.49761000      -0.55607000       6.42470000      -1.18113642      -0.05160329      -0.13188789
O        4.63563000       0.37361000       0.81760000      -0.04672906      -0.81867608       0.34307535
O        3.00928000      -0.06633000       5.63489000      -1.25446337      -0.42124011      -0.95273436
O        2.10945000      -0.12617000       1.89110000      -0.06970481      -0.25465517      -1.69616748
O        5.99434000       0.63702000       4.57847000      -0.65356859      -0.14356818       1.09934167
O        6.35099000       2.14683000       2.62869000      -0.41841375       0.43944472      -1.81893930
O        0.74533000       1.04265000       4.25152000       0.15828284       0.59962862      -0.20540232
O        3.79515000       1.72731000       2.96960000      -0.38874944      -0.73218787       0.44723309
Zn      -3.18902000       0.45792000       6.31344000       0.97674292       0.28005237      -1.46566239
Zn       7.53935000       2.32596000       1.16167000       1.23508814       0.22506701       0.53879350
Zn       2.60866000      -0.54681000       3.67120000       0.32034774       0.52910463       0.99439147
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.92093678 magmom=12.0008716 free_energy=-95.92195779 stress="-0.06982521504660319 -0.013740213865440021 0.018743337438668486 -0.013740213865440021 -0.06743826772734293 0.009423529218932915 0.018743337438668486 0.009423529218932915 -0.03193442226391524" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45487000       1.19021000       6.06305000      -0.19990684      -1.78114943       2.71678750
Cr       3.09662000       1.44114000       1.11275000      -1.23319727       0.79154952       0.70476048
Cr      -0.43407000      -0.60132000       4.40111000       2.45864378      -0.27722157       1.39075616
Cr       5.30093000       0.65229000       2.71002000       0.06810949      -2.61014094       0.10628870
O        0.55579000      -0.46760000       6.50580000      -1.42687771      -0.94744917      -1.78153258
O        4.62377000       0.30233000       0.87865000       0.88682085      -0.16407857      -0.38717843
O        2.98141000      -0.19551000       5.65096000       0.36887329       2.09742447      -0.81870468
O        2.12600000      -0.27680000       1.56388000       0.26468745       0.18031490       1.13431970
O       -1.84671000       0.61608000       4.68037000      -1.60214320       0.32978791       0.04340548
O       -1.05923000      -0.61936000       2.47808000       0.39054356       0.44128385       1.67315506
O        0.81551000       0.93517000       4.24975000      -1.09317177       0.33239485      -0.81366840
O        3.86145000       1.78424000       3.09829000      -1.64478224       0.32011701      -0.22646622
Zn      -3.17736000       0.43711000       6.27638000       0.60496453       0.12631845      -0.47950901
Zn       7.51198000       2.32882000       1.20444000       2.08239572       0.30264152      -1.45064843
Zn       2.65501000      -0.61233000       3.76517000       0.07504035       0.85820720      -1.81176533
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.00573768 magmom=12.0004758 free_energy=-96.00585014 stress="-0.05979331747592556 0.016053480799861637 0.02333613309207514 0.016053480799861637 -0.03206713667707015 0.0005332116565110223 0.02333613309207514 0.0005332116565110223 -0.018536883683379735" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46032000       1.17764000       6.13736000      -1.11431688      -0.34893932      -0.40701543
Cr       3.07853000       1.43552000       1.07854000       0.72623331      -1.06947608      -0.01507588
Cr      -0.45695000      -0.66234000       4.55356000       1.02214995       0.95155642      -0.01601485
Cr       5.30259000       0.70550000       2.68898000      -1.33232328      -0.91428291       1.37340848
O        0.40384000      -0.55945000       6.34777000       0.47648034       0.06082638       1.06596490
O        4.70320000       0.20410000       0.87959000      -0.12579756       0.81144463      -1.25641730
O        2.88349000      -0.00600000       5.55738000       0.55820955      -0.19719611       0.85773813
O        2.23408000      -0.35964000       1.41970000      -1.76501757       1.49100429       1.45690129
O        5.81213000       0.64530000       4.74891000       0.94726379      -0.33035450      -1.36754515
O       -1.10315000      -0.46283000       2.66294000       2.33976057      -1.45858995      -0.79223843
O        0.68228000       0.90349000       4.17692000       0.07436162       1.36525922       0.51778794
O        3.73319000       1.83579000       3.09021000       1.25465538      -0.70616006      -1.73573110
Zn      -3.12665000       0.42706000       6.21082000      -1.00400541      -0.18083828       1.19623844
Zn       7.59239000       2.35328000       1.17981000      -0.01686101       0.11128276      -0.05975663
Zn       2.68994000      -0.63598000       3.77340000      -2.04079281       0.41446351      -0.81824441
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.58972773 magmom=12.0003852 free_energy=-95.58973394 stress="-0.04268824947392467 0.025781560936380878 -0.011649851182249881 0.025781560936380878 -0.024190355137405337 -0.006408068559178916 -0.011649851182249881 -0.006408068559178916 -0.07284110288148327" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38236000       1.12473000       6.20710000      -0.42359080       1.10116477      -3.05810435
Cr       3.06574000       1.39756000       1.03427000       0.01260558       1.30824021       0.05768060
Cr      -0.42559000      -0.67043000       4.70790000      -0.75635019       1.25928179      -3.40313541
Cr       5.27487000       0.67698000       2.73026000       3.27007990      -1.46340554      -1.26119508
O        0.36480000      -0.65319000       6.42307000      -0.04641910       0.97976798       1.04329724
O        4.72845000       0.25080000       0.70120000      -0.27383780       0.24906631       2.13913521
O        2.89004000       0.22580000       5.59784000       0.52625561      -2.11838568      -1.24381252
O        2.19937000      -0.21427000       1.56553000       0.25773956      -0.68904344       1.26104680
O        5.77065000       0.64039000       4.56359000       0.06330343      -0.42674254       1.80148553
O       -0.80688000      -0.55880000       2.75350000      -1.64115903      -0.56980996      -1.23550760
O        0.51379000       1.11085000       4.24213000       1.61391941      -0.29092855       1.10253895
O        3.76186000       1.77926000       2.74917000      -0.85651142       0.67331833       2.32857753
Zn      -3.11189000       0.40664000       6.18558000      -0.36131870      -0.01066096       0.54730581
Zn       7.68457000       2.38702000       1.14664000      -1.05320689      -0.17354876       0.15243475
Zn       2.63440000      -0.64093000       3.72632000      -0.33150955       0.17168603      -0.23174746
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.14032545 magmom=11.9969196 free_energy=-96.14032554 stress="-0.028824897898547593 0.008145548736994777 -0.019310670988665072 0.008145548736994777 -0.03659331503709332 0.004979261447477988 -0.019310670988665072 0.004979261447477988 -0.10882198077072329" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30344000       1.12792000       6.14076000       3.22754143       1.30452529       2.02085526
Cr       3.05509000       1.42229000       1.05268000       0.31299289       1.80062615       3.42445069
Cr      -0.44251000      -0.60984000       4.67351000      -0.51460221       0.61622752      -1.44681064
Cr       5.40162000       0.56674000       2.71287000      -0.71566182      -1.30611950      -1.42137005
O        0.34580000      -0.55508000       6.53678000      -1.19316583       0.16191448      -2.20176782
O        4.64380000       0.35477000       0.76684000       0.46045201      -0.61583019      -0.01082367
O        2.90513000       0.09870000       5.46602000      -0.64347021      -0.65993860       0.54979937
O        2.21362000      -0.12630000       1.90266000      -1.19635580      -0.50658195      -1.76027752
O        5.83873000       0.59864000       4.60141000       0.14134150       0.13166798       1.11480892
O        6.50868000       2.13556000       2.65137000      -0.12462367       1.38903059       0.17574364
O        0.56870000       1.24848000       4.50399000      -0.84947254      -1.98668499      -3.11978637
O        3.80134000       1.77948000       2.77630000       0.77907238      -0.43104628       1.97679646
Zn      -3.12448000       0.38106000       6.19672000      -0.85812444      -0.10535766      -0.02246333
Zn       7.72972000       2.41224000       1.12201000      -0.00558258      -0.01909709       0.31279126
Zn       2.56026000      -0.63294000       3.67000000       1.17965892       0.22666425       0.40805381
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.74788778 magmom=12.0002417 free_energy=-96.74788945 stress="-0.03350706570864475 -0.012300000870166236 -0.000823334988711377 -0.012300000870166236 -0.05231462516170552 0.009813081626512272 -0.000823334988711377 0.009813081626512272 -0.017360714717027534" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36779000       1.19167000       6.13107000      -1.28498115      -0.33883096      -0.28801969
Cr       3.06048000       1.53132000       1.22865000      -0.17119079       0.48663213      -0.30915700
Cr      -0.47933000      -0.54231000       4.55915000       1.36270636      -2.18901981       0.26877023
Cr       5.49133000       0.41891000       2.63835000      -1.15354518       1.04446888       1.60088186
O        0.23893000      -0.42090000       6.38185000       1.10759996      -0.60561790       2.26048589
O        4.57249000       0.34620000       0.86038000       0.46646916      -0.38973915      -0.61768994
O        2.80248000      -0.10958000       5.47067000       0.88448022       1.04531329       1.03751006
O        2.11853000      -0.10542000       1.87838000       1.00515489      -0.02015565      -0.52185337
O       -1.94006000       0.61087000       4.76621000      -1.30383238       0.49711333      -1.03379636
O        6.43514000       2.14129000       2.59086000       0.84502016       0.15887726      -0.56639958
O        0.53096000       1.04875000       4.33630000       1.21783708       1.32270859      -0.71839814
O        3.96589000       1.70645000       3.09610000      -1.51108570      -0.56445232      -1.12276440
Zn      -3.17275000       0.35307000       6.20952000      -0.69444670      -0.16858334      -0.24067209
Zn       7.75527000       2.43021000       1.10857000      -1.10949444      -0.19869850      -0.19266648
Zn       2.54460000      -0.61901000       3.64570000       0.33930854      -0.08001584       0.44376899
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.71200928 magmom=12.0007866 free_energy=-96.71202007 stress="-0.04232510665780401 -0.020188053676535086 -0.004707538202769411 -0.020188053676535086 -0.048840955706198765 0.008015773462970258 -0.004707538202769411 0.008015773462970258 0.013486625238115573" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36344000       1.21540000       6.14459000      -1.18162561      -0.61939672       0.66448588
Cr      10.92731000       1.62474000       1.33267000       0.56718038      -1.81125459      -2.97957689
Cr      -0.44312000      -0.58273000       4.49864000       1.21523510      -0.24604140       0.73986134
Cr       5.48476000       0.36151000       2.65513000      -1.32915571       1.67984457       1.03109348
O        0.35381000      -0.41791000       6.53634000      -0.21577124      -0.70031573      -0.88683903
O        4.57990000       0.29279000       0.85649000       1.13043558       1.08257691       0.16589257
O        2.82508000      -0.07612000       5.64116000       0.23393899       0.67811396      -1.04292558
O        2.20626000      -0.07551000       1.73734000      -0.96609993      -0.14854378       1.15762844
O        5.87664000       0.66739000       4.67485000      -0.01593766      -0.92368123      -0.20340230
O        6.45846000       2.17288000       2.53524000       0.07626515      -0.88950441       0.14936781
O        0.60460000       1.04502000       4.08889000       0.06365527       0.40170464       1.57429348
O        3.89360000       1.59212000       3.11457000      -0.40637120       0.54319983      -0.23126835
Zn      -3.23980000       0.32668000       6.21154000       0.37649068       0.11683387      -0.32987766
Zn       7.73154000       2.43606000       1.08832000       0.02488872       0.03708973      -0.21417554
Zn       2.55717000      -0.60966000       3.65315000       0.42687148       0.79937434       0.40544234
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.89694754 magmom=11.9995555 free_energy=-96.89694797 stress="-0.04200212907638005 0.00796147778865405 -0.01653072496262954 0.00796147778865405 -0.035914467863891575 -0.005418292058003797 -0.01653072496262954 -0.005418292058003797 -0.03933254356722168" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29150000       1.19285000       6.20253000       2.59007113       0.35012322      -0.59791485
Cr      10.96808000       1.61895000       1.24112000       0.17058606      -0.83965586      -1.29047755
Cr      -0.33996000      -0.66254000       4.47725000      -0.69456947       0.38795017       0.07952948
Cr       5.40365000       0.40799000       2.73730000      -0.36243362      -0.28253506      -0.98101558
O        0.47321000      -0.52817000       6.55259000      -2.69794988       0.77077339      -0.62991113
O        4.73566000       0.39539000       0.87794000      -0.75735558      -0.32127347      -0.51573772
O        2.80826000       0.09165000       5.62014000      -0.34732301      -1.07734832      -0.79388042
O        2.22256000      -0.06518000       1.78916000      -1.00041342      -0.33240176      -0.28061934
O        5.89073000       0.56316000       4.52838000       0.55962250      -0.24826761       2.68972889
O        6.42961000       2.05494000       2.56476000       0.31208986       1.02094715      -0.14684351
O        0.66165000       1.11492000       4.21926000      -0.27516455      -0.98247534       0.96824446
O        3.75682000       1.60466000       3.01897000       0.99952202       0.52240670       1.06278555
Zn      -3.28468000       0.30561000       6.19485000       0.82740599       0.18308642      -0.44750686
Zn       7.69728000       2.44162000       1.05454000       0.38583306       0.02858470       0.52134671
Zn       2.59948000      -0.55264000       3.68536000       0.29007891       0.82008567       0.36227187
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.62054812 magmom=12.0008098 free_energy=-95.62054831 stress="-0.03571462049635221 0.018840099847997983 -0.015685664928409372 0.018840099847997983 -0.04105244188194311 -0.01722642240667503 -0.015685664928409372 -0.01722642240667503 -0.06966923522093627" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32039000       1.18633000       6.25196000       0.21717649       0.74309394      -0.84293982
Cr       3.16329000       1.53824000       1.03721000      -2.22726479       0.48931511       3.34861493
Cr      -0.25858000      -0.74963000       4.46189000      -2.10904634      -0.05492494       1.80684511
Cr       5.29852000       0.47522000       2.81967000       2.41215651      -0.21474027      -0.01229649
O        0.24536000      -0.53242000       6.45865000       0.82165758       0.14328836       1.11254309
O        4.75616000       0.46749000       0.83882000      -0.33575666      -1.00361324       0.40867218
O        2.69810000       0.09892000       5.46509000       1.85461911      -0.68102717       2.36705365
O        2.10298000      -0.09742000       1.80528000       1.29898991      -0.04616779      -0.36806648
O       -1.84516000       0.37064000       4.72670000      -1.33533672       1.02045431      -0.54213452
O        6.38024000       2.07804000       2.63835000       0.39337152       0.84450166      -0.90618569
O        0.63431000       0.97728000       4.59120000       0.78439506       0.17171394      -4.28694978
O        3.79638000       1.73552000       2.99776000      -0.99481183      -0.90401380      -0.10044240
Zn      -3.29277000       0.28959000       6.14707000       0.43506757       0.06312858      -0.15977823
Zn       7.67191000       2.45036000       1.03323000      -0.37038745      -0.09675380       0.50989849
Zn       2.67094000      -0.42758000       3.73821000      -0.84482996      -0.47425491      -2.33483404
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.32653665 magmom=11.9987829 free_energy=-96.32746711 stress="-0.03547007317559281 -1.9100753064739765e-05 -0.002652800955164206 -1.9100753064739765e-05 -0.019279065459447752 -0.0007275771877247456 -0.002652800955164206 -0.0007275771877247456 -0.0257297439962744" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37777000       1.20276000       6.21595000      -1.03184865      -0.94361296      -1.00736142
Cr       3.09370000       1.46487000       1.02460000      -1.29955597       1.18698920       3.60844629
Cr      -0.30113000      -0.84200000       4.54395000      -0.01458964       0.89582324       0.67317196
Cr       5.32205000       0.53371000       2.89670000       1.32997959      -0.61500375      -1.74470411
O        0.16199000      -0.45696000       6.52588000       1.50729691      -0.48708599      -1.91142106
O        4.62050000       0.33472000       0.84208000       1.08832554      -0.29753555      -0.04453022
O        2.83686000      -0.05484000       5.70144000      -1.13723304      -0.02737880      -1.08484452
O        2.21221000      -0.14080000       1.71786000      -0.75241299      -0.62837161      -0.02879143
O       -1.89617000       0.35375000       4.83531000       0.17533258       0.74355533      -1.71130455
O       -0.91920000      -0.65338000       2.64500000      -0.21687697      -0.81897227       0.26107686
O        0.72921000       0.85824000       4.32334000       0.41389849       0.95834094      -0.00861162
O        3.76532000       1.72795000       2.95158000      -0.21017525      -0.41273668       1.09158737
Zn      -3.27107000       0.27773000       6.09530000       1.27368037       0.23600910       1.85474037
Zn       7.63291000       2.45768000       1.04009000       0.22673825       0.12727808       0.43439564
Zn       2.70282000      -0.29812000       3.69023000      -1.35255922       0.08270173      -0.38184956
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.85064533 magmom=11.9997115 free_energy=-95.85086853 stress="-0.04078713662503095 -0.015281157665236106 -0.0041906941612014316 -0.015281157665236106 -0.05807391643471921 -0.0049187447673933755 -0.0041906941612014316 -0.0049187447673933755 -0.005234270018128579" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38773000       1.15695000       6.12762000      -0.22763242      -1.35107748       0.79951978
Cr       2.96847000       1.44139000       1.18476000       2.92168394      -0.45471374      -1.75886577
Cr      -0.34467000      -0.87045000       4.65797000       1.98681683       2.83682012      -2.09598988
Cr       5.42386000       0.55868000       2.86878000      -1.92619842      -1.14637777      -3.27917155
O        0.38980000      -0.48651000       6.40441000      -0.83832598      -1.37946374       0.40547119
O        4.57538000       0.16321000       0.83407000       0.27545897       1.07122369       0.47377361
O        2.83347000      -0.17149000       5.84383000       1.20236274       1.75036183      -1.83742216
O        2.20163000      -0.26023000       1.60926000      -2.51788301       0.33598772       0.90094058
O       -1.92487000       0.47015000       4.66139000      -0.09993408      -0.92386061       2.01768793
O       -0.95293000      -0.63803000       2.69409000       0.98344432      -1.09312567      -0.59694662
O        0.83849000       0.92203000       4.01139000      -0.62121237       0.30449599       2.16023748
O        3.72037000       1.61923000       3.05645000       0.19280985       0.18197228       0.54335545
Zn      -3.19564000       0.27699000       6.11880000      -0.01296169      -0.04223277       0.92557456
Zn       7.59868000       2.47131000       1.07538000      -0.04658711       0.03209378       0.45639162
Zn       2.66519000      -0.16743000       3.61049000      -1.27184158      -0.12210361       0.88544378
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.88544472 magmom=11.9994165 free_energy=-96.88566555 stress="-0.03931284820430704 0.008124709099487567 -0.006689681593686129 0.008124709099487567 -0.02320821081600444 -0.00844996966267054 -0.006689681593686129 -0.00844996966267054 -0.0008236350492626038" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40042000       1.05848000       6.09888000       1.64858671       0.62402137       0.53277890
Cr       2.98753000       1.41518000       1.24578000       0.14832199      -0.33263454      -1.29507785
Cr      -0.30202000      -0.75714000       4.64136000       0.02044955       0.50376611      -2.33175546
Cr       5.43706000       0.50573000       2.70586000      -1.20022613      -2.04141894       0.99840903
O        0.48528000      -0.69951000       6.36886000      -1.49474979       1.04179714       1.78665799
O        4.54554000       0.18844000       0.87313000       0.25798178       0.22690541       0.39463117
O        2.88656000      -0.06828000       5.64348000       0.42837747      -0.94765347      -0.48971090
O        1.99098000      -0.31776000       1.64135000       2.53322683       0.59140488       0.90967309
O       -1.88155000       0.48203000       4.70206000       0.12125292      -0.01807663      -0.06845677
O        6.40313000       2.11365000       2.65372000       0.24545075       0.96127210      -0.20319883
O        0.81395000       1.03300000       4.17645000      -0.67383349      -0.51526732       0.68011981
O        3.73745000       1.55463000       3.16584000       0.17136094       0.54100467      -1.29614414
Zn      -3.12676000       0.27870000       6.18558000      -0.44578623      -0.08781156      -0.01101150
Zn       7.55270000       2.48393000       1.12006000      -1.29989379      -0.09962237      -0.59423868
Zn       2.57254000      -0.07039000       3.58920000      -0.46051953      -0.44768684       0.98732414
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.75622 magmom=12.0004057 free_energy=-96.75622007 stress="-0.028389278397589264 0.010149949655288341 -0.005870852431552346 0.010149949655288341 -0.03255017817820851 -0.008325065724239534 -0.005870852431552346 -0.008325065724239534 -0.05633590082904299" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47883000       1.01265000       6.12900000      -0.42598163       0.99682888       1.97039204
Cr       3.03170000       1.38444000       1.21910000      -0.35932770       0.80766853      -0.69178743
Cr      -0.27582000      -0.64068000       4.52709000      -1.15551951      -1.68741623       1.31479159
Cr       5.39378000       0.36902000       2.62115000       0.11032167       0.04520048       2.98605081
O        0.38834000      -0.71365000       6.55717000       0.69478994       0.77635041      -1.19339152
O        4.54872000       0.23171000       0.93156000       1.23633875      -0.66844060      -1.77856484
O        2.95627000      -0.12710000       5.43214000       0.05678450      -0.49478264       1.46941887
O        2.16136000      -0.27458000       1.78354000      -1.49669221      -0.32136462      -0.54527432
O       -1.79251000       0.49715000       4.72671000      -1.34797628       0.48028881      -0.45749366
O        6.42823000       2.07085000       2.61678000      -0.17360311       0.17615952       0.08393308
O        0.68177000       1.03204000       4.43546000       1.06575314      -0.20049119      -2.24459489
O        3.80906000       1.58369000       3.01664000       0.22734575      -0.09250629       0.24704788
Zn      -3.08869000       0.28016000       6.23265000       0.01656352      -0.06840241      -1.25004487
Zn       7.47705000       2.49553000       1.13732000       1.19426348       0.21658274      -0.23537110
Zn       2.47731000      -0.00987000       3.61304000       0.35693969       0.03432461       0.32488838
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.87115704 magmom=12.0008231 free_energy=-96.87115706 stress="-0.012891326356820098 -0.018902184445107093 0.0001571569867710805 -0.018902184445107093 -0.0451048325645372 0.0028463544348331063 0.0001571569867710805 0.0028463544348331063 -0.058980352817041934" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52443000       1.03042000       6.24089000      -0.52109622       0.46890072      -2.78355726
Cr       3.05881000       1.39418000       1.14460000       0.14101294       0.07452600      -0.01141015
Cr      -0.32675000      -0.63264000       4.48738000       0.17724147      -1.14422499       1.61986564
Cr       5.36646000       0.25657000       2.69998000       1.04849658       2.37207215       0.21377591
O        0.45040000      -0.54912000       6.53454000      -0.49780496      -1.10604429      -1.38026297
O        4.72181000       0.16007000       0.77123000      -0.13659400       0.25700289       2.33421718
O        2.98501000      -0.28417000       5.52838000       0.32966224       1.08434737       0.28048401
O        2.16499000      -0.27610000       1.78309000      -0.42782265      -0.10863245      -0.57910550
O       -1.89312000       0.56876000       4.63588000      -0.50472733      -0.58238851       0.39093664
O        6.38616000       2.06147000       2.65128000       0.70075373      -0.33650988      -0.79960578
O        0.72323000       0.97937000       4.34728000       0.33396306       0.67637648      -0.44694247
O        3.90701000       1.55714000       2.87250000      -1.73359887      -1.51549977       1.48094189
Zn      -3.05924000       0.28288000       6.21420000      -0.22369653      -0.13269380      -0.80041149
Zn       7.45883000       2.51964000       1.13863000       0.90905339       0.10120856       0.12621332
Zn       2.40583000       0.04469000       3.66129000       0.40515714      -0.10844051       0.35486103
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.26147739 magmom=12.0071471 free_energy=-96.26360964 stress="-0.01052067599861959 -0.00875188084007773 0.011530749363185317 -0.00875188084007773 -0.020738736334455447 -0.005901547012512743 0.011530749363185317 -0.005901547012512743 -0.038970358935099" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54660000       1.08924000       6.23071000       0.01920238      -0.51393027      -1.32314887
Cr       3.09064000       1.41598000       1.05311000      -0.39338476      -1.10190406       1.20942318
Cr      -0.39248000      -0.70755000       4.53760000       1.32825522       0.25387398      -0.57353520
Cr       5.38545000       0.24078000       2.82005000      -1.15407441      -0.33569535      -3.01721775
O        0.51338000      -0.55194000       6.28129000      -0.69816924      -0.80100245       1.92229226
O        4.84486000       0.08118000       0.88470000      -1.23266432       0.44646501      -0.65660171
O       -4.83279000      -0.26498000       5.76676000      -0.21970074       1.53883853      -1.15800648
O        2.12668000      -0.30821000       1.59785000       0.67021530       0.25084520       0.06088703
O        5.80181000       0.53595000       4.58418000       2.04915284      -0.28073505       1.89891783
O        6.41692000       1.98616000       2.62778000      -0.26667580      -0.02611996       0.30077658
O        0.78200000       1.04509000       4.17136000      -1.46258042       0.29518234       1.08325696
O        3.75817000       1.31066000       2.94922000      -0.07153683       1.33528084       0.36138379
Zn      -3.03740000       0.28609000       6.14926000      -0.37533700      -0.06872609       1.42467002
Zn       7.49483000       2.56210000       1.13866000       0.57259134       0.01059013      -0.50253635
Zn       2.35063000       0.10086000       3.73552000       1.23470645      -1.00296280      -1.03056129
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.36923095 magmom=12.0053325 free_energy=-95.37068115 stress="-0.0798362110889691 0.02995144403370388 0.027578815260665177 0.02995144403370388 -0.048521481159288685 -0.018052279938748687 0.027578815260665177 -0.018052279938748687 -0.011890843926113044" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.56369000       1.15265000       6.09713000      -2.56050997       0.65163321       1.87846668
Cr       3.10209000       1.37499000       1.01838000       0.24046153      -1.29070310       1.19273364
Cr      -0.39577000      -0.80003000       4.58982000       0.88286019       0.45100151      -0.35264945
Cr       5.35283000       0.22814000       2.81868000      -1.02490141      -0.83013126      -0.41791511
O        0.49419000      -0.71636000       6.34654000       0.10281625       1.50468927       0.42340560
O        4.69757000       0.07031000       0.97735000       0.73257164       1.16592569      -1.61924576
O        2.97146000       0.01503000       5.85961000       0.91245890      -1.80188827      -1.72589267
O        2.25595000      -0.31545000       1.32384000      -2.09363358      -0.07681274       1.20970665
O       -1.82793000       0.38800000       4.73670000      -1.41985075       0.51087991      -0.43411204
O        6.36435000       1.87814000       2.65276000      -0.00537165       1.08571428      -0.27571561
O        0.60162000       1.17771000       4.17806000       2.99193787      -1.56902786      -0.14823923
O        3.60114000       1.27312000       3.07762000       1.51099929       1.66362028      -0.45980788
Zn      -3.03307000       0.29322000       6.13823000      -0.19644879      -0.00912009       1.57598591
Zn       0.28017000      -0.28911000       1.12101000       0.04875200      -0.28112136       0.05590954
Zn       2.32909000       0.11229000       3.78680000      -0.12214154      -1.17465949      -0.90263029
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.15322209 magmom=12.0048515 free_energy=-95.15449208 stress="-0.09983550332929686 0.03277583246332688 0.008485141633892954 0.03277583246332688 -0.052500670286899746 -0.014942324478587225 0.008485141633892954 -0.014942324478587225 -0.020592284965140845" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45985000       1.25429000       6.04268000       1.25476854      -1.21601476       3.05807045
Cr       3.10771000       1.27220000       1.06713000      -0.96798317       2.34137009       0.99823864
Cr      -0.33273000      -0.91103000       4.62122000       0.37614757       0.90348343      -0.92152586
Cr       5.25952000       0.18449000       2.74984000       1.26685089       1.95522862       0.12611297
O        0.49744000      -0.62142000       6.50691000      -0.77881489       0.92192437      -3.03785286
O        4.60095000       0.20900000       0.80181000       2.02185323      -1.20890920       0.63427539
O        2.96559000       0.03432000       5.64514000      -0.04447571      -0.45186160      -0.12774508
O        9.46943000       2.54467000       1.23071000       0.73965860      -0.49469932       2.16892933
O       -1.72797000       0.32532000       4.84879000      -1.58376551      -0.02253861      -0.69489574
O        6.24798000       1.92452000       2.67104000       1.34878627       0.15916355      -0.17759143
O        0.83077000       1.09963000       4.21120000      -1.51609924       0.19604316      -0.43524902
O        3.69668000       1.54300000       3.08929000      -1.37390765      -1.92439404      -0.25806792
Zn      -3.04291000       0.30682000       6.21147000      -0.74877392      -0.21119750       0.51297094
Zn       0.37666000      -0.22016000       1.10918000      -2.35545625      -0.14461828       0.39732686
Zn       2.31451000       0.06195000       3.79580000       2.36121123      -0.80297991      -2.24299668
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.95761512 magmom=11.9996248 free_energy=-95.95761562 stress="-0.02966811935270002 0.011873287996489033 -0.01266650914545663 0.011873287996489033 -0.016556817298179365 -0.00853535138539952 -0.01266650914545663 -0.00853535138539952 -0.03128288169313924" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.89579000      -1.60251000       6.13686000       2.07348391      -1.42103285      -1.18832893
Cr       3.07862000       1.26732000       1.13906000       0.63679509       0.65180798      -1.77594480
Cr      -0.27990000      -0.98127000       4.59709000      -2.04199974       2.08535020      -1.82041936
Cr       5.25410000       0.23551000       2.68748000       1.94580225       1.27883819       1.54781800
O        0.42667000      -0.39345000       6.28734000      -0.15044374      -1.31178700       2.19264652
O        4.74291000       0.20359000       0.75569000      -0.84776988      -0.48574789       1.08702739
O        3.00778000      -0.11223000       5.49280000       0.04319398       0.98794544       1.60173555
O        9.52998000       2.43652000       1.56306000      -1.05431767       1.27657559       0.98738619
O       -1.87921000       0.31357000       4.78806000       0.12464869      -0.31033855      -0.75709791
O        6.30696000       2.01729000       2.65247000       0.45365775      -0.56297936      -0.46919503
O        0.84780000       1.05167000       4.21558000      -0.72194104      -0.31781262      -0.16928185
O        3.62003000       1.52846000       2.98521000       0.67223899      -0.89559346      -0.06041926
Zn      -3.09343000       0.31515000       6.30331000      -0.68088543      -0.32498276      -0.92935098
Zn       0.36249000      -0.15465000       1.12609000      -0.94098014      -0.21413524       0.98967651
Zn       2.40385000      -0.03483000       3.68852000       0.48851698      -0.43610765      -1.23625206
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.56624584 magmom=11.9997731 free_energy=-96.56624584 stress="-0.014598162416276848 0.0039472482608329425 -0.009573788695244454 0.0039472482608329425 -0.01512900955195364 -0.013573250806232211 -0.009573788695244454 -0.013573250806232211 -0.045802798485074486" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.84437000      -1.63753000       6.16999000      -0.44851345      -2.16083879      -0.97560329
Cr       3.06270000       1.30817000       1.11670000       0.00038268       0.25479288      -0.60185481
Cr      -0.35317000      -0.92700000       4.50401000      -0.03394979       1.96687557       0.43369144
Cr       5.36314000       0.33707000       2.70688000       0.06912855      -1.41158212       0.11787468
O        0.39811000      -0.44956000       6.38034000       0.09503209      -0.92757751       0.65959077
O        4.69534000       0.11501000       0.85903000      -0.44980381       0.32720746      -0.78523192
O        2.99014000      -0.10041000       5.63180000      -0.67875315       1.05857753      -0.86685875
O        2.21902000      -0.40941000       1.84930000      -1.61727274      -0.06094070      -3.82035844
O       -1.92526000       0.29306000       4.60081000      -0.54339413       0.39843511       1.10335336
O        6.40020000       2.00302000       2.58235000       0.07876780       0.15950186      -0.32464255
O        0.68935000       0.99956000       4.23660000       1.32701897      -0.77750706       0.18144260
O        3.70635000       1.37810000       2.89996000       1.13782173       1.28623953       1.41993509
Zn      -3.15949000       0.31393000       6.33400000       0.69719124      -0.08004074      -0.95681409
Zn       0.29883000      -0.10805000       1.18409000       0.33591273      -0.14424825       0.52141078
Zn       2.50871000      -0.13483000       3.57645000       0.03043128       0.11110524       3.89406514
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.81107433 magmom=12.0016596 free_energy=-96.81107533 stress="-0.03717815693144834 0.017722806606566107 0.0005771274265244852 0.017722806606566107 -0.02121197027767789 -0.005387861580260553 0.0005771274265244852 -0.005387861580260553 -0.01542525119837275" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46361000       1.15508000       6.14384000      -1.61055078      -0.29763754       0.36274159
Cr       3.05519000       1.34703000       1.08329000      -0.34314711       0.00324753       1.52212269
Cr      -0.41120000      -0.80329000       4.46025000       1.78379241      -0.24072951       1.77198742
Cr       5.44828000       0.33795000       2.72041000      -1.34976218      -1.57980743      -1.13426574
O        0.43987000      -0.65695000       6.51800000      -0.73981819       0.54599051      -2.19483945
O        4.56581000       0.11979000       0.83590000       1.40075434       0.62507835       0.19381320
O        2.85111000       0.00235000       5.61653000       1.50334988      -1.35530621      -0.71468135
O        2.05807000      -0.33601000       1.58183000       1.77594285      -0.09472785       1.42974230
O       -1.96998000       0.36906000       4.61470000       0.29181466       0.46908516       0.82530185
O        6.44251000       1.98874000       2.54288000       0.19720318       0.51177561       0.41512681
O        0.73391000       0.87666000       4.29875000      -0.27123434       0.57876289      -0.71539301
O        3.92141000       1.46725000       3.00403000      -1.97136618       0.54751444       0.06845236
Zn      -3.18035000       0.31497000       6.31055000       0.14128948      -0.04888626      -0.32805713
Zn       0.26111000      -0.07620000       1.23840000      -0.67609611       0.28175260      -1.26925273
Zn       2.57696000      -0.20158000       3.62372000      -0.13217193       0.05388770      -0.23279881
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.24668664 magmom=12.0000388 free_energy=-97.24668675 stress="-0.019421911926578026 -0.0016217125417187963 0.0037761552137610625 -0.0016217125417187963 -0.027515169231459552 0.00240659421061501 0.0037761552137610625 0.00240659421061501 -0.0014084407678307323" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38997000       1.01792000       6.12574000       0.91206782       0.33720153      -0.58120276
Cr       3.04715000       1.38531000       1.11176000       0.94179903       0.34661198      -0.26928622
Cr      -0.36916000      -0.70942000       4.52404000       0.58943925      -1.02922444       0.62961730
Cr       5.44348000       0.26563000       2.68192000      -0.79182481       1.60745180       0.93852581
O        0.40585000      -0.72193000       6.36306000      -0.33797458       0.71573047       1.20005447
O        4.62994000       0.22239000       0.81994000       0.45522604      -0.43126782       0.07075926
O        2.90250000      -0.14762000       5.53337000       0.11390330      -0.39997982       1.12893251
O        2.20609000      -0.29069000       1.56108000      -1.40079436       0.07928318       1.38820195
O       -1.91225000       0.50930000       4.72944000      -0.38123539      -0.53192207      -0.53866373
O        6.45569000       2.03025000       2.63240000      -0.15560243      -0.12562939      -0.59043862
O        0.73326000       0.88096000       4.26731000       0.22881234       0.86190106      -0.74078300
O        3.80039000       1.62638000       3.05793000      -0.40110620      -1.25052327      -0.76573214
Zn      -3.18704000       0.32078000       6.26968000       0.09405828      -0.05767787      -0.00464921
Zn       0.20942000      -0.03325000       1.22548000       0.48567071      -0.09148138      -0.87026041
Zn       2.62694000      -0.25691000       3.66092000      -0.35243897      -0.03047395      -0.99507522
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.39657261 magmom=11.9992835 free_energy=-96.39657293 stress="-0.00975317851798228 -0.02302600121051523 -0.011758367027346403 -0.02302600121051523 -0.03390537356167119 -0.004882580464876548 -0.011758367027346403 -0.004882580464876548 -0.02371912678455182" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35288000       0.89313000       6.07553000       2.49351048       2.07547517       0.66317359
Cr       3.08225000       1.44630000       1.14130000      -0.47562780      -0.36919025      -1.02348026
Cr      -0.29505000      -0.66672000       4.62156000      -1.24785885      -0.78418134      -2.66243296
Cr       5.38813000       0.26513000       2.68996000       0.05032577       1.67334004       1.28179578
O        0.36386000      -0.64969000       6.41079000      -0.08099200      -1.43217423       1.20996537
O        4.74681000       0.25181000       0.80996000      -0.92424708      -0.48437210      -0.30644346
O       -4.88444000      -0.45631000       5.65648000      -0.46022652       1.53343069      -0.66797667
O        2.22344000      -0.21818000       1.79112000      -1.35932235       0.07115365      -1.64726297
O       -1.84724000       0.56062000       4.74438000      -1.03310384      -0.67991691       0.02360306
O        6.38299000       2.06029000       2.69199000       0.37574945      -0.14946200      -0.89412210
O        0.73172000       1.03396000       4.15508000       0.00717925      -0.62563340       1.00616982
O        3.63155000       1.58730000       2.92342000       2.53804705      -0.61836957       1.48929969
Zn      -3.18929000       0.33290000       6.21753000       0.30980339      -0.13116702       0.25924511
Zn       0.16625000       0.02108000       1.15787000       0.60200442      -0.27194132       0.20163887
Zn       2.66223000      -0.32105000       3.65966000      -0.79524136       0.19300859       1.06682714
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.73096087 magmom=11.9996237 free_energy=-95.73096297 stress="-0.03674920404880246 -0.010648128133015385 -0.0025838469156620964 -0.010648128133015385 -0.03567127011344291 -0.016018287538851598 -0.0025838469156620964 -0.016018287538851598 -0.003654754191255267" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45822000       0.83353000       6.06276000      -0.70299555       0.16433231       2.88599311
Cr       3.10150000       1.50185000       1.14193000      -1.30791728      -1.61248399       1.50271918
Cr      -0.29851000      -0.68415000       4.58913000      -1.53472571      -0.52732384      -0.78139246
Cr       5.34198000       0.37969000       2.78457000       3.20902534      -2.09068494      -0.93079592
O        0.37554000      -0.76194000       6.63207000      -0.10239027      -0.06157439      -3.80889202
O        4.66104000       0.16282000       0.78559000       0.47840992       0.80900967       0.63322946
O       -4.89837000      -0.51693000       5.72783000       0.57321451       2.24970764      -1.54221589
O        1.99043000      -0.09458000       1.77561000       1.42027016      -0.52629710       0.23145048
O       -1.89676000       0.47931000       4.70775000       0.04206972       0.40625134       0.03068080
O        6.30589000       2.08041000       2.60598000       1.53370577       0.36334675       0.13339090
O        0.69888000       1.10112000       4.26479000       0.26100610      -1.48204210      -0.04356663
O        3.90415000       1.41474000       2.97283000      -3.98744999       2.71028556       1.47032221
Zn      -3.17764000       0.34931000       6.15812000       0.23416346      -0.23004423       0.73854187
Zn       0.14113000       0.08800000       1.06706000       0.14491749      -0.19591048       0.39434002
Zn       2.66695000      -0.40381000       3.69933000      -0.26130364       0.02342782      -0.91380510
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.7074435 magmom=11.9981522 free_energy=-95.70744351 stress="-0.019438350863245853 -0.008966764034308895 0.010344664061896167 -0.008966764034308895 -0.0237921863264777 -0.02066398543717909 0.010344664061896167 -0.02066398543717909 -0.0230036307742383" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57002000       0.81042000       6.20995000      -2.73899043       2.17718247      -0.25382017
Cr       3.02900000       1.46598000       1.17591000      -0.92261047      -0.61712964       0.08525967
Cr      -0.39153000      -0.75845000       4.48327000       2.50101484      -0.39111648       1.67292968
Cr       5.43294000       0.45165000       2.85710000      -2.29426114      -1.06053080      -2.58306556
O        0.44270000      -0.88917000       6.37481000       0.22264368       1.31158017       1.92943437
O        4.55282000       0.17211000       0.90880000       1.24943385       0.99434733       0.54619795
O        2.98572000      -0.20798000       5.54929000       0.34364182      -1.50984987       0.95892994
O        1.97128000      -0.04042000       1.70367000       0.69816289      -1.39749608       0.73893193
O       -1.91649000       0.43841000       4.63987000       0.29094046       0.38487493       1.21199339
O        6.43472000       2.14392000       2.53043000      -0.25205992       0.12134535       0.19344051
O        0.66304000       0.87252000       4.46679000       0.93709342       0.26216135      -2.10013211
O        3.78554000       1.62409000       3.32604000       1.06935257      -0.36437190      -2.16533596
Zn      -3.14922000       0.36523000       6.11559000       0.15922125      -0.22666047       0.49390908
Zn       0.11998000       0.17207000       0.96893000       0.35328776      -0.01204484       0.52837457
Zn       2.64992000      -0.51585000       3.71576000      -1.61687057       0.32770847      -1.25704729
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.31040253 magmom=11.9999099 free_energy=-96.31040253 stress="-0.018024013161283547 -0.015261694317940208 0.014267284076699468 -0.015261694317940208 -0.02991731277171312 -0.005805225484663371 0.014267284076699468 -0.005805225484663371 0.0036235664062437434" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52865000       0.89497000       6.31378000      -0.04853633       1.76857733      -1.79785432
Cr       2.94315000       1.40465000       1.21170000       1.93209304       0.96677769       0.29490066
Cr      -0.34947000      -0.82730000       4.48152000       2.43089556       0.51211064       1.09976457
Cr       5.43491000       0.43818000       2.79419000      -1.09181209       0.30471575      -0.13489422
O        0.55709000      -0.75879000       6.42738000      -1.38835150      -0.27006124       1.49836869
O        4.60207000       0.30269000       1.05193000      -0.27399265      -0.73113321      -1.66676040
O        2.97292000      -0.16561000       5.58971000       0.07472644      -1.09200852       0.67352287
O        2.10119000      -0.22150000       1.75532000      -1.14131194      -0.48049785      -0.21175176
O       -1.84138000       0.44877000       4.68907000      -0.30488190      -0.62168251       0.08586677
O        6.48296000       2.19033000       2.54950000      -0.30259589      -0.29823451      -0.26089888
O        0.77923000       0.71667000       4.34807000       0.56335600       1.68845197      -0.22105929
O        3.82012000       1.77978000       3.24578000       0.25027480      -1.43487572      -1.24711698
Zn      -3.12238000       0.37175000       6.10349000      -0.25758447      -0.43559313       0.08835013
Zn       0.11640000       0.24165000       0.92027000       0.29106539      -0.12461620       1.17637224
Zn       2.55704000      -0.58871000       3.67850000      -0.73334447       0.24806953       0.62318992
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.38746934 magmom=11.9997638 free_energy=-96.38746934 stress="-0.02204452660928505 -0.0058244285672702295 0.010682051683823949 -0.0058244285672702295 -0.03554538401113586 -0.005242189488326355 0.010682051683823949 -0.005242189488326355 -0.011138542978544505" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47296000       1.03398000       6.30201000       0.04704838      -0.87474485      -0.18951191
Cr       2.97393000       1.39214000       1.25203000       1.44719761      -0.38979005       0.06810808
Cr      -0.20298000      -0.84749000       4.53787000      -0.61683136       0.43046123      -0.11251019
Cr       5.38764000       0.42962000       2.71696000       1.78973678      -0.20325427       0.28486515
O        0.48866000      -0.64732000       6.67531000      -1.02355626      -0.42860793      -3.07348742
O        4.59245000       0.27724000       0.92340000       0.19968277      -0.74983279       0.17398471
O       -4.93538000      -0.29689000       5.76540000       0.60783693       1.21749153      -1.05876627
O        2.06339000      -0.40576000       1.74697000      -0.72995678       1.20377819       0.03344885
O       -1.76001000       0.38859000       4.70664000      -0.27512531       0.16749559      -0.17746174
O        6.44247000       2.16752000       2.58013000       0.72053154      -0.26306258      -0.24298863
O        0.90469000       0.81611000       4.25590000      -1.18213568      -0.68282516       1.34792718
O        3.94031000       1.64688000       2.95042000      -2.40295437      -0.06558727       1.76171236
Zn      -3.11439000       0.36081000       6.10190000      -0.07662564      -0.47605739       0.25509571
Zn       0.12837000       0.29142000       0.93876000       0.13741437      -0.17420500       0.94093338
Zn       2.44813000      -0.62061000       3.66835000       1.35773703       1.28874074      -0.01134926
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.74892409 magmom=12.0007526 free_energy=-96.74892439 stress="-0.0011930011243364662 -0.01148768760638253 -0.0016472153167996098 -0.01148768760638253 -0.015617783261314707 -0.003007682746983197 -0.0016472153167996098 -0.003007682746983197 -0.017030959992647525" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42983000       1.10462000       6.26878000       0.08989136      -1.44668752      -0.42927834
Cr       3.05626000       1.36280000       1.24716000      -1.92405523      -0.60504425      -1.72907043
Cr      -0.14050000      -0.84026000       4.57980000      -2.90327721      -0.31910274      -0.56334430
Cr       5.44157000       0.41098000       2.67779000      -0.03792196      -1.07119859       1.44813929
O        0.32347000      -0.63522000       6.46940000       0.94100207      -0.18476253       0.82277543
O        4.57862000       0.11849000       0.85736000       0.64527417       0.73987356       1.36897889
O        2.92643000      -0.21990000       5.73978000      -0.18739001       0.71021903      -0.74775941
O        1.99036000      -0.35238000       1.71155000       0.69496311       0.17346846       0.26158642
O       -1.71525000       0.37829000       4.64903000      -1.11370148       0.21301352       0.00655303
O        6.47405000       2.08577000       2.57228000       0.18302547       0.16666461      -0.47948568
O        0.81907000       0.82023000       4.43537000       0.89199852       0.77786526      -1.28212086
O        3.72028000       1.50062000       2.99765000       0.93862919       0.50760867       1.18171333
Zn      -3.10835000       0.33247000       6.11283000       0.45450113      -0.23706797       0.29693305
Zn       0.14542000       0.32595000       1.00205000       0.21508175      -0.15662026      -0.02020476
Zn       2.41856000      -0.58930000       3.66424000       1.11197913       0.73177076      -0.13541567
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.49313871 magmom=11.9993886 free_energy=-96.493139 stress="-0.004661948122966894 -0.0009861951482047241 0.0016850871027264964 -0.0009861951482047241 -0.015014264892960797 -0.00523149397587315 0.0016850871027264964 -0.00523149397587315 -0.0029594567655296545" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39943000       1.09147000       6.22114000       1.22280612       0.35939334       0.18266463
Cr       3.05046000       1.29362000       1.16640000      -0.04373998       1.15428300       1.42869024
Cr      -0.27090000      -0.84037000       4.56939000      -0.20633833       0.85772379      -0.99599925
Cr       5.52558000       0.31680000       2.72371000      -2.82338297      -0.89927519       0.29814987
O        0.37199000      -0.66229000       6.37696000      -0.06619379       0.32662912       2.21971636
O        4.61914000       0.07301000       0.99317000       0.11292477       0.59602273      -1.51689412
O        2.85140000       0.00483000       5.58217000       0.75324987      -1.39106780       0.88226804
O        2.06301000      -0.24033000       1.68725000      -0.70251059      -1.35237306      -0.07644693
O       -1.82868000       0.42257000       4.57898000      -0.11427729      -0.51051817       1.21095484
O        6.50429000       1.99322000       2.50145000       0.44767550       0.50339019       0.26308494
O        0.77000000       0.91338000       4.43493000      -0.55640904      -0.14727866      -1.85013665
O        3.63289000       1.43689000       3.20601000       1.46104007       0.21769232      -1.77677047
Zn      -3.08165000       0.28719000       6.14256000      -0.60839346      -0.19909003       0.38230961
Zn       0.17735000       0.35940000       1.08096000       0.12313663      -0.22129863      -0.66973538
Zn       2.45814000      -0.49705000       3.64696000       1.00041248       0.70576706       0.01814426
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.3468915 magmom=11.999928 free_energy=-96.34689275 stress="-0.01168377311026607 0.01818926532921732 0.003945319328679097 0.01818926532921732 -0.0010294091104490544 -0.00917368203304643 0.003945319328679097 -0.00917368203304643 0.000523015358682233" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43031000       1.08765000       6.16390000      -0.58005224       0.82110379       0.28950870
Cr       3.04116000       1.26858000       1.16642000       1.38497943       1.48138655       1.91567479
Cr      -0.47260000      -0.80328000       4.48486000       3.25322790       0.38478889       0.43540819
Cr       5.47342000       0.14414000       2.79100000      -1.83559824       1.18377352      -2.22423542
O        0.50858000      -0.62706000       6.66190000      -1.38671411       0.07334252      -3.97837654
O        4.64991000       0.15647000       0.90961000       0.42753618      -0.61375434      -0.02769290
O        2.84043000      -0.01696000       5.57187000       1.22458794      -1.40040136      -0.22356601
O        2.08401000      -0.34842000       1.63141000      -0.36063841      -0.61340051       0.67164340
O       -1.96733000       0.40454000       4.67979000       0.15902773      -0.01149840       0.00831730
O        6.52111000       1.94161000       2.50813000      -0.55604040      -0.07850284       0.51823163
O        0.61144000       1.03468000       4.12696000       0.24069749      -0.78324939       1.49469301
O        3.83728000       1.41115000       3.07225000      -0.46346488      -0.14003021       0.17302070
Zn      -3.07736000       0.22167000       6.20847000      -1.02118463      -0.17327560       1.44451881
Zn       0.22252000       0.39445000       1.14703000      -0.26759791      -0.11101745      -0.55319055
Zn       2.56857000      -0.33944000       3.62290000      -0.21876584      -0.01926517       0.05604489
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.30890115 magmom=12.0006762 free_energy=-96.30890115 stress="-0.029021158458037592 0.011669932669885082 0.00029828254500516554 0.011669932669885082 -0.014125460230907397 -0.006101091760482142 0.00029828254500516554 -0.006101091760482142 0.01535997328915711" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43123000       1.10953000       6.11894000      -0.89398293      -1.27317839      -0.73755066
Cr       3.10503000       1.31867000       1.20483000      -0.25484813      -0.64277873      -3.22637560
Cr      -0.48747000      -0.75543000       4.43655000       2.12309963      -0.40754743       2.03214047
Cr       5.35497000       0.06464000       2.73973000       2.36481625       2.65888310      -0.25933501
O        0.45562000      -0.58141000       6.45417000      -0.49680809      -0.41971965      -0.01033955
O        4.67487000       0.13286000       0.81293000      -0.06213746      -0.49282668       0.58811921
O        2.98037000      -0.25386000       5.57261000      -0.31852241       1.14020397      -0.68241655
O        9.38929000       2.38240000       1.68587000       0.27247048       1.10157446       0.63236136
O       -2.01856000       0.38521000       4.73184000      -0.41754881       0.20141579      -0.65081163
O        6.39375000       1.90095000       2.60864000      -0.18175065      -0.24089805      -1.36475728
O        0.50803000       1.00171000       4.12371000       1.76432697      -0.56266684       0.82355019
O        3.91716000       1.33444000       2.93642000      -2.43411469      -0.51715539       1.59923819
Zn      -3.11720000       0.15699000       6.33209000       0.17055857      -0.03570916       0.76760687
Zn       0.24915000       0.42309000       1.18066000      -0.31620088      -0.04276223      -0.26711580
Zn       2.65696000      -0.19656000       3.60771000      -1.31935785      -0.46683479       0.75568578
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.38261116 magmom=11.9995599 free_energy=-96.38261116 stress="-0.00799969592840535 -0.01802598653298237 -0.003931109509546528 -0.01802598653298237 -0.028711713123757 0.004156941777539137 -0.003931109509546528 0.004156941777539137 -0.012739295034656395" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38076000       1.06774000       6.04801000       1.05534101      -0.84179319       0.35672507
Cr       3.14350000       1.32919000       1.08916000      -2.04615080      -1.71499303       0.06709790
Cr      -0.38249000      -0.75066000       4.47884000      -1.16314284      -1.51538650      -0.42818941
Cr       5.35693000       0.14062000       2.68121000      -0.87446566       0.52429105       1.48613414
O        0.37731000      -0.62057000       6.25866000       0.17395829      -0.44763584       2.55491109
O        4.64407000       0.02603000       0.80860000       0.52948172       1.01839047      -0.71126642
O        2.99985000      -0.30686000       5.51294000      -0.39705857       0.88830047       1.07242830
O        9.45101000       2.39482000       1.79474000      -0.84392360       0.35927803      -1.41596940
O       -2.03628000       0.39522000       4.62650000       0.69990434      -0.13755632       0.65037535
O        6.25925000       1.85367000       2.55236000       1.97379749       0.52771796      -0.53106692
O        0.67494000       0.87764000       4.30862000       0.05463776       0.59372663      -1.99518589
O        3.68143000       1.28089000       2.99227000       1.81937119       2.23616464      -1.18895495
Zn      -3.15070000       0.10311000       6.47044000       0.13276751      -0.16046164      -0.89258988
Zn       0.26171000       0.44797000       1.19455000       0.28212216       0.10601794      -0.00864945
Zn       2.66331000      -0.10869000       3.63425000      -1.39664001      -1.43606066       0.98420046
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.0451369 magmom=12.0001967 free_energy=-97.0451369 stress="0.005364236825343645 -0.005345303382172533 -0.0074020826643184535 -0.005345303382172533 0.002055289352777953 -0.0012264343421880995 -0.0074020826643184535 -0.0012264343421880995 0.002536364940820887" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38237000       0.97589000       6.00880000       0.78809418       0.41509739       1.99906909
Cr       3.07376000       1.25984000       0.97117000      -0.34139189       0.56562029       2.64456334
Cr      -0.33679000      -0.83049000       4.51127000      -0.23774651      -0.61103499      -1.40248718
Cr       5.35565000       0.26209000       2.69606000       0.73909774       0.48175899      -0.75989423
O        0.37802000      -0.74641000       6.42365000      -0.44268652       0.04600228      -2.47199487
O        4.62219000       0.05985000       0.71822000       0.22259248       0.26928824       0.11117214
O        2.89533000      -0.20591000       5.65430000       0.64995001      -0.39985360      -0.33046861
O        2.08529000      -0.42366000       1.65305000      -0.03605680       0.14552547      -0.02945848
O       -1.87258000       0.37171000       4.60079000      -0.52170915      -0.07573829       0.68413708
O        6.40953000       1.91722000       2.44467000       0.33166596       0.87590510       0.74698048
O        0.80959000       0.82371000       4.18215000      -0.79126637       0.32357181      -0.43886968
O        3.72896000       1.58406000       2.85383000      -0.39083928      -1.70118712       0.97054723
Zn      -3.17618000       0.04506000       6.56626000      -0.01527426      -0.26307935      -0.71647320
Zn       8.14818000       0.48071000       1.20378000      -0.20423808       0.19052900       0.11474378
Zn       2.60640000      -0.08462000       3.69589000       0.24980848      -0.26240523      -1.12156688
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.31980228 magmom=12.0015411 free_energy=-96.31980235 stress="-0.013146496114443865 0.006968063024428324 0.002111500471346786 0.006968063024428324 -0.004565291095277478 -0.008932451156885587 0.002111500471346786 -0.008932451156885587 0.02167656854377188" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42576000       0.91569000       6.07994000      -1.09321917       0.96244359      -0.85379043
Cr       2.98072000       1.22447000       0.97951000       1.24987903       2.56708842      -0.22680462
Cr      -0.32367000      -0.94304000       4.45920000       1.44554871       1.41071958      -0.81281766
Cr       5.40385000       0.40674000       2.68469000       0.85673335      -0.47052517      -0.61567809
O        0.37474000      -0.84771000       6.27987000       0.08579984       0.61714931       0.56544099
O        4.57428000       0.15100000       0.66234000       0.27049419      -0.55987864       1.45788315
O        2.89555000      -0.21667000       5.76817000       1.19660609      -0.97913837      -1.25647022
O        2.04938000      -0.32743000       1.47696000       0.18974202      -1.38575477       1.16065899
O       -1.76441000       0.32359000       4.65953000      -2.11313706      -0.39007359      -0.25276778
O        6.57065000       2.12302000       2.49855000      -1.61003782      -0.62153793      -0.16027910
O        0.79237000       0.83477000       3.98807000       0.62604900       0.19799591       1.26171257
O        3.78824000       1.63616000       2.81537000      -0.69552907      -0.89642007       0.94220995
Zn      -3.20005000      -0.02676000       6.62318000       0.28453882      -0.21175337      -0.49035405
Zn       8.16021000       0.52890000       1.21423000      -0.97663144       0.24865172      -0.07592379
Zn       2.55406000      -0.08299000       3.70919000       0.28316350      -0.48896660      -0.64301990
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.90661294 magmom=11.9991551 free_energy=-95.90661294 stress="-0.01103426768340471 0.012282916642594415 0.0025029792270952105 0.012282916642594415 -0.002031497949567384 -0.019096293855993835 0.0025029792270952105 -0.019096293855993835 0.012060814980779927" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42851000       0.91139000       6.13241000       0.86428960      -0.17485074      -1.61903800
Cr       2.95860000       1.32486000       1.02138000       1.65237466      -0.45143945       0.52125753
Cr      -0.26484000      -0.99377000       4.36110000      -0.86824777       1.78298434       1.72117540
Cr       5.50100000       0.53609000       2.63759000      -3.61789470      -2.18820053       0.61193469
O        0.43130000      -0.81469000       6.15218000      -0.24358044       0.16086383       2.29237918
O        4.51193000       0.14232000       0.78942000       0.94425894      -0.18749778      -0.44900777
O       -4.82423000      -0.42621000       5.65736000      -0.74357263       0.95572585       0.18639038
O        9.39877000       2.49100000       1.50013000      -1.68286837       0.70128070       0.80918987
O       -1.92508000       0.26404000       4.62905000       0.96821387       0.69828975      -0.41435375
O       -0.87892000      -0.68504000       2.55575000       1.11008819      -0.52619743      -1.65136801
O        0.85055000       0.89366000       4.07045000      -0.01784538      -0.59107190       0.18077753
O        3.72465000       1.45555000       2.92309000      -0.14617457       0.48511413      -0.45775052
Zn      -3.20674000      -0.12263000       6.65717000       0.29567837       0.01301898      -0.95696021
Zn       8.12262000       0.59955000       1.21916000       0.14951208      -0.29503655      -0.31230191
Zn       2.52203000      -0.10957000       3.67926000       1.33576815      -0.38298319      -0.46232440
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.85674453 magmom=11.9994893 free_energy=-95.85674453 stress="-0.006202254221534077 -0.025552065720169072 -0.00526045964008115 -0.025552065720169072 -0.02614478738872383 -0.0038359388285988403 -0.00526045964008115 -0.0038359388285988403 -0.02437681637777148" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47655000       0.91123000       6.10542000       0.24968055      -0.43177441       0.74283601
Cr       3.03661000       1.44498000       1.12163000      -1.27329470      -2.34984804      -0.43028597
Cr      -0.25083000      -0.93234000       4.34390000      -0.53527240       1.86454693       1.33495193
Cr       5.41677000       0.55575000       2.60756000      -1.48119691      -2.43204806       0.45974858
O        0.50807000      -0.73295000       6.43812000      -1.03966668      -0.70268365      -0.87668050
O        4.57802000       0.10357000       0.85237000       0.71566146       1.31961597      -0.65961090
O       -4.82353000      -0.51053000       5.54905000       0.40002072       2.07054034       0.45681342
O        9.21448000       2.44534000       1.70674000       0.32961309       0.35515601      -0.51644042
O       -1.88584000       0.37833000       4.45946000       0.76557205      -0.06496864       0.78402866
O        6.34996000       2.19571000       2.36964000       1.37512170       0.12961873       0.31907189
O        0.86252000       0.86067000       4.27969000      -0.89955855      -0.66645086      -1.25554722
O        3.62680000       1.30641000       2.93485000       0.79512491       1.72813460       0.52639278
Zn      -3.19678000      -0.25541000       6.64366000      -0.32477285       0.33889405      -1.29507124
Zn       8.07416000       0.68287000       1.20386000       0.67840767      -0.49305159      -0.10356791
Zn       2.55481000      -0.17396000       3.61090000       0.24455996      -0.66568138       0.51336089
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.10330211 magmom=11.9998952 free_energy=-95.1033024 stress="-0.01439177025844166 -0.011639597649782408 -0.031338394861191575 -0.011639597649782408 -0.02506710183421995 -0.007199289991037672 -0.031338394861191575 -0.007199289991037672 -0.035521211669898814" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53762000       0.90174000       6.10338000      -1.21016076       0.96385415       0.89449489
Cr       3.07813000       1.46217000       1.19362000      -1.38135553      -0.85376600      -2.02204511
Cr      -0.28341000      -0.76166000       4.40384000      -0.30468241      -1.28184339      -0.39924693
Cr       5.26796000       0.44497000       2.61113000       4.19392944      -0.85037983       1.32402096
O        0.48202000      -0.73660000       6.61322000      -0.10682467       0.04497093      -2.07294262
O        4.69389000       0.22487000       0.80479000      -1.16384635      -0.37134999       0.36564373
O        3.00689000      -0.27117000       5.54070000      -0.02478470      -0.45049982      -0.15384593
O        1.78186000      -0.43182000       1.83557000       1.92457821       0.39122549      -1.22652271
O       -1.69820000       0.51082000       4.36430000      -2.62801959      -1.23713101       1.12303607
O        6.43768000       2.09319000       2.26093000      -0.86813719      -0.02079506       1.05749978
O        0.73795000       0.75899000       4.36269000       1.97412387       2.43900216      -0.82910836
O        3.67438000       1.45596000       3.00926000       0.14132557       1.18741811       0.73520304
Zn      -3.19577000      -0.39010000       6.56222000       0.09986597       0.66314373      -0.88766646
Zn       8.05147000       0.75256000       1.18079000       0.00023848      -0.61090779       0.50024712
Zn       2.60835000      -0.27812000       3.55998000      -0.64625033      -0.01294169       1.59123253
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.44851907 magmom=12.0001163 free_energy=-96.44851907 stress="-0.01241145081125378 -0.0013952262634339397 6.658583617749418e-05 -0.0013952262634339397 -0.009570456596941002 0.000852398407435306 6.658583617749418e-05 0.000852398407435306 0.00713791238839178" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51731000       0.94869000       6.15178000      -1.21566849       1.93337489      -0.34431884
Cr       3.03827000       1.42734000       1.13544000      -0.39652784      -0.06532512      -0.01260434
Cr      -0.33466000      -0.66485000       4.43353000       0.58922971      -1.54273701      -0.02510080
Cr       5.35546000       0.31963000       2.67492000       1.19060632       1.76880676       0.28523129
O        0.47644000      -0.70474000       6.42995000      -0.44773904       0.18301804       0.04466133
O        4.57281000       0.25361000       0.84566000       0.20352501      -0.75134232      -0.00538799
O        2.95988000      -0.12498000       5.54584000       0.99919062      -1.10919075       0.54137363
O        1.99963000      -0.32891000       1.70650000       0.18213967       0.52832682      -0.49152798
O       -1.86948000       0.46275000       4.49995000       0.03985544       0.55559237       1.39946768
O        6.35935000       1.99802000       2.40880000       1.20184144       1.07960135       0.23972343
O        0.85551000       0.97829000       4.30879000      -0.66692718      -0.28835273      -0.91686134
O        3.81398000       1.72913000       3.12605000      -1.29198999      -2.69734172      -1.08350337
Zn      -3.19353000      -0.47697000       6.44691000       0.27406679       0.65294729      -0.61848672
Zn       8.04152000       0.78377000       1.18295000      -0.06557224      -0.49522843       0.14192661
Zn       2.62245000      -0.37064000       3.58699000      -0.59603024       0.24785058       0.84540742
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.5877439 magmom=12.0000321 free_energy=-96.5877439 stress="-0.018666228761387755 -0.00964009154763969 0.00549679673618166 -0.00964009154763969 -0.025474478880874205 0.00032382321852939124 0.00549679673618166 0.00032382321852939124 0.02415964255593262" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44025000       1.07028000       6.16506000       0.33029628       0.26199428      -0.98453464
Cr       2.99915000       1.40138000       1.07457000       1.16829401       0.83260556       0.14011887
Cr      -0.36201000      -0.67419000       4.46158000       1.06707571      -0.45606656       1.51338646
Cr       5.47628000       0.29863000       2.74938000      -2.71363804       1.02533589      -0.05404482
O        0.45165000      -0.61427000       6.29706000      -0.57797261      -0.07819699       1.13061107
O        4.50498000       0.15640000       0.86749000       1.82865475       0.69396113      -0.73749035
O        2.98204000      -0.16548000       5.64867000      -0.75493293       0.32540691      -0.15421664
O        2.16362000      -0.19792000       1.54362000      -2.40810647      -1.37602428       1.19973960
O       -1.95737000       0.48532000       4.75423000       0.62325419      -0.02441844      -0.67244996
O        6.43775000       2.07579000       2.60624000       0.81603496      -0.29657886      -0.97232824
O        0.83923000       1.08477000       4.18739000      -1.11163327      -1.23967219       0.14849952
O        3.79770000       1.58592000       2.99653000      -0.22283662      -0.59482702      -0.11377172
Zn      -3.17374000      -0.51607000       6.33857000       1.28189246       0.47793997       0.45407826
Zn       8.03688000       0.78442000       1.18900000       0.16707449      -0.41966503      -0.48990152
Zn       2.61275000      -0.42017000       3.63834000       0.50654311       0.86820563      -0.40769588
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.6732111 magmom=12.0003278 free_energy=-96.6732646 stress="0.01035762250213956 -0.002150636924335777 -0.0012329290568562016 -0.002150636924335777 0.0024772152698235156 -0.00556952760023697 -0.0012329290568562016 -0.00556952760023697 0.015794045045648443" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38095000       1.17695000       6.12178000      -0.08315315      -1.50451420      -0.27689801
Cr       3.02455000       1.41199000       1.03910000       0.23084736      -0.29117151       0.47065188
Cr      -0.33843000      -0.71576000       4.56115000       0.28552910      -0.15303340      -0.00841166
Cr       5.45931000       0.33956000       2.79761000      -0.13447471      -0.11768836      -0.84663476
O        0.38701000      -0.53669000       6.39565000      -0.27094762      -0.26375390       0.10308536
O        4.68006000       0.16629000       0.75954000      -0.53234004       0.31886608       0.87970353
O        2.86809000      -0.13819000       5.70331000       0.91672542       0.83697162      -1.32802348
O        1.98212000      -0.26996000       1.59005000       0.63852926      -0.24145753       0.26544218
O       -1.87383000       0.49491000       4.79999000      -1.22755031      -0.62218696      -0.65719672
O        6.55255000       2.11925000       2.65092000      -1.44617416      -0.58110145      -0.73714811
O        0.63950000       0.95471000       4.16416000       1.49397981       0.79688743       0.70144979
O        3.73501000       1.35564000       2.85743000       0.09794898       1.22101349       1.64496076
Zn      -3.10136000      -0.52274000       6.27270000       0.37122435       0.67591358       0.59895806
Zn       8.04015000       0.76422000       1.17185000      -0.00645089      -0.27848268      -0.28873384
Zn       2.61976000      -0.42131000       3.66159000      -0.33369341       0.20373778      -0.52120498
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.4559451 magmom=11.9993723 free_energy=-96.4559451 stress="0.0060626224936111625 0.01454518655899738 -0.010387362506694243 0.01454518655899738 0.012465326263485073 -0.013520611697094613 -0.010387362506694243 -0.013520611697094613 -0.019056056188583727" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32961000       1.21477000       6.06811000       1.90221544      -0.29886492       1.71152008
Cr       3.08870000       1.41301000       1.06020000      -0.38403393      -0.10862675       2.16625033
Cr      -0.31514000      -0.77735000       4.66907000      -1.90547472      -0.13178465      -2.40335286
Cr       5.41967000       0.38661000       2.79380000      -0.90680240      -1.32356786      -1.08812876
O        0.31992000      -0.50883000       6.50050000       0.04038359      -0.16460902      -1.06719063
O        4.69750000       0.24782000       0.74751000      -0.74393612      -0.29525364       0.87275317
O        2.82376000       0.01631000       5.51985000       0.57202496      -0.70313444       0.65747337
O        1.90584000      -0.42804000       1.71227000       0.99643702       0.40521366      -0.34753179
O       -1.93100000       0.38897000       4.66186000      -0.14374231       0.14695601       1.39028911
O        6.35776000       2.03777000       2.60601000       1.13135012       0.55784066       0.21038448
O        0.64312000       0.92876000       4.34237000      -0.03780084       0.30885423      -1.23341457
O        3.69385000       1.35997000       2.96788000      -0.03634011       1.14952983       0.03411058
Zn      -2.99022000      -0.49227000       6.23312000      -0.54377823       0.59367519       0.21270762
Zn       8.04605000       0.72326000       1.13329000       0.13075280      -0.26157823      -0.14661368
Zn       2.61803000      -0.40488000       3.64927000      -0.07125526       0.12534993      -0.96925646
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.7306413 magmom=12.0000946 free_energy=-95.7306413 stress="-0.04358941069501344 0.03787514063817751 0.009570655744772682 0.03787514063817751 -0.013530017913490703 -0.015107517127489969 0.009570655744772682 -0.015107517127489969 -0.019746319699886113" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39137000       1.23213000       6.10890000       0.27185950      -0.18730586       0.22509486
Cr       3.14123000       1.41667000       1.23392000      -3.73541742       0.61414593      -0.96749800
Cr      -0.41803000      -0.87303000       4.65599000      -0.05133826       0.91682797      -1.57909839
Cr       5.31879000       0.37042000       2.72548000      -0.21605208      -0.57801926       1.42467584
O        0.32797000      -0.52205000       6.45251000       0.54185427      -0.08125642       1.23385903
O        4.49884000       0.26244000       0.91764000       2.77897048      -1.24775618      -1.02028911
O        2.86307000       0.09677000       5.43334000       0.37756399      -1.05147738       1.41311511
O        9.34407000       2.35328000       1.78279000      -0.86360440       1.16569880      -1.21404986
O       -2.02850000       0.27409000       4.66721000       0.69120890       1.27651484       0.17441724
O        6.21726000       2.02308000       2.61300000       2.10331410       0.78775234      -0.38100954
O        0.61488000       0.97684000       4.39620000      -0.25780479      -0.59369663      -1.25180697
O        3.69673000       1.62631000       3.11437000       0.75615078      -1.15768178      -0.81160294
Zn      -2.85899000      -0.41147000       6.19418000      -1.54793249       0.03919227       1.05505197
Zn       8.06802000       0.64626000       1.06465000       0.20755900      -0.31141045       0.08433772
Zn       2.60352000      -0.36925000       3.57300000      -1.05633159       0.40847181       1.61480303
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.18230732 magmom=12.0004011 free_energy=-95.18230732 stress="-0.023154186366467294 0.004908435329728661 0.008156782248810106 0.004908435329728661 -0.03666800202755774 -0.007812255407740376 0.008156782248810106 -0.007812255407740376 0.009766237078273562" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.80535000      -1.68356000       6.18956000      -1.56126796      -1.49436816      -0.34937701
Cr       3.03618000       1.42676000       1.36174000       0.55580478      -1.85209922      -4.61089830
Cr      -0.54122000      -0.92218000       4.53328000       3.81114913       3.36374194      -0.17219673
Cr       5.24053000       0.33455000       2.71497000       4.26833876       2.18718239       1.42884337
O        0.49015000      -0.56247000       6.56612000      -0.69287694       0.06229534       0.06197880
O        4.59421000       0.12424000       0.97219000      -0.17420600       1.03728763      -0.90672550
O        2.94573000      -0.02695000       5.64502000       0.64711859      -0.15344645      -0.83829413
O        9.34420000       2.45180000       1.65339000      -0.97908910       1.63018764       0.68379625
O       -1.98699000       0.39164000       4.68166000      -1.51995412      -1.11361279      -0.32042869
O        6.36438000       2.15471000       2.58626000      -0.82974203      -0.67867389      -0.65215204
O        0.49677000       0.93678000       4.23601000       1.90524046      -0.15819637       0.67130298
O        3.79113000       1.68035000       3.13535000      -1.81282364      -2.14560856       0.88269460
Zn      -2.78459000      -0.31493000       6.20872000      -1.72839270      -0.02492814       1.30147768
Zn       8.10568000       0.53542000       0.98494000      -0.44194436      -0.55281404       0.38954026
Zn       2.52975000      -0.30850000       3.55412000      -1.44735488      -0.10694730       2.43043845
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.35616191 magmom=11.9995844 free_energy=-96.35616191 stress="0.021580553767371512 -0.008207197214895224 -0.00946179401396493 -0.008207197214895224 -0.005009059148543033 -0.012294443904795244 -0.00946179401396493 -0.012294443904795244 -0.003337161777663608" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50646000       1.15015000       6.23970000       0.29610671      -1.49124014       0.07737868
Cr       2.95952000       1.37222000       1.23604000       2.26554552       1.61972317      -0.03929753
Cr      -0.46183000      -0.81096000       4.41114000       1.96695857       0.85811732       1.30414484
Cr       5.36577000       0.38721000       2.76246000      -2.10371384      -0.49198785      -1.62218037
O        0.56279000      -0.59931000       6.65348000      -1.53341206       0.03121568      -2.31739815
O        4.66246000       0.15313000       0.92795000      -0.70493250       0.39272185       0.74278666
O        3.04714000      -0.18972000       5.73390000      -0.33987744       0.66806921      -0.49935345
O        1.94012000      -0.15950000       1.62048000       0.49223272      -1.82344661       0.95029076
O       -2.04805000       0.42670000       4.60017000       1.26586633      -0.05984846       1.36192798
O        6.35526000       2.15361000       2.51304000       0.34284538      -0.62856803      -0.06192447
O        0.65789000       0.89786000       4.24865000       0.07747941       0.36669077       0.43683813
O        3.65798000       1.41814000       3.18991000      -0.18220163       0.80018109      -1.00201387
Zn      -2.80530000      -0.24091000       6.28482000      -1.44428264      -0.11211799      -0.10628910
Zn       8.11695000       0.41819000       0.92970000      -0.92701425      -0.20226791      -0.01166729
Zn       2.40433000      -0.25534000       3.64987000       0.52839972       0.07275788       0.78675719
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.00016217 magmom=11.999899 free_energy=-97.00016217 stress="0.01663851300407142 -0.008185874790415618 0.005136147702549225 -0.008185874790415618 -0.012587445683691256 -0.01754962363385399 0.005136147702549225 -0.01754962363385399 0.007180479399490686" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51598000       1.03766000       6.27519000      -0.19345058       0.30877572      -0.84225680
Cr       3.00135000       1.38996000       1.12890000      -0.77360691       0.73170604       1.51801530
Cr      -0.31377000      -0.68908000       4.39095000      -0.04327494      -1.27821231       1.92205053
Cr       5.37711000       0.40260000       2.73618000      -2.21773987      -1.13925667       0.57012664
O        0.44980000      -0.62796000       6.44142000      -0.24396444      -0.27879309      -0.17046251
O        4.56689000       0.23559000       0.96522000       0.53760957      -0.54411958      -1.04548215
O        3.01144000      -0.23066000       5.74350000       0.09592282       0.34190763       0.11751766
O        1.98730000      -0.17565000       1.70708000      -0.28324319      -0.95362814      -0.53697468
O       -1.89418000       0.42882000       4.66177000       0.27010291       0.50258304      -0.06564381
O        6.33635000       2.06304000       2.49668000       0.84830038       0.75226878      -0.05729062
O        0.78126000       0.94016000       4.35702000      -0.17554084       0.56866309      -0.66335591
O        3.56544000       1.36524000       3.04288000       1.08556425       1.21053059       0.09990019
Zn      -2.87846000      -0.20155000       6.33060000      -0.75295661      -0.20675976      -1.01788585
Zn       0.23165000       0.33452000       0.89793000       0.17946266      -0.07771271       0.80763486
Zn       2.34317000      -0.21980000       3.74740000       1.66681479       0.06204734      -0.63589284
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.90134073 magmom=11.9998896 free_energy=-96.90134073 stress="-0.005479936978244042 0.005260704912665269 0.008952636908930734 0.005260704912665269 -0.016249337727197975 -0.022185857794037287 0.008952636908930734 -0.022185857794037287 -0.0031023002429770574" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50610000       0.97484000       6.25058000      -1.13987708       1.33695589      -1.16688102
Cr       2.99930000       1.43280000       1.12688000      -1.28631813      -0.99561710      -0.43781874
Cr      -0.21658000      -0.66197000       4.47189000      -1.22544329      -1.07363569      -0.55182964
Cr       5.29385000       0.36926000       2.72656000       1.71133618      -0.02255761       0.50530716
O        0.38675000      -0.66751000       6.30333000       0.59531625       0.04644558       2.23050283
O        4.52947000       0.20334000       0.84628000       0.73458518       0.02894558       0.69531733
O        2.95049000      -0.21969000       5.78681000       1.13568203      -0.14680981      -0.46126927
O        2.04212000      -0.33984000       1.68007000      -0.30529525       0.81095880       0.13377333
O       -1.71063000       0.51069000       4.68182000      -2.04335128      -0.13341953       0.00274702
O        6.37874000       2.08188000       2.52780000      -0.12337293       0.43286965      -0.36630536
O        0.83830000       1.03655000       4.35492000       0.67030381      -0.49540126      -1.02217368
O        3.68959000       1.54157000       2.91532000      -0.13143390       0.19513064       1.50788927
Zn      -2.96687000      -0.18727000       6.31741000       0.16135965      -0.09729152      -0.89327761
Zn       0.21370000       0.27469000       0.91157000       0.05303208      -0.05380255       1.13581452
Zn       2.37439000      -0.18973000       3.78953000       1.19347667       0.16722893      -1.31179611
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.82864313 magmom=12.0010889 free_energy=-96.82864317 stress="-0.0108022767186293 -0.01030864753959091 0.0030428288845993383 -0.01030864753959091 -0.02063456304429929 -0.012873892841914574 0.0030428288845993383 -0.012873892841914574 0.023127683720349044" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44120000       0.99458000       6.15530000       1.19190310       0.82355174       1.16635123
Cr       2.92614000       1.42267000       1.13088000       2.06178004      -0.94873490       0.58626403
Cr      -0.21664000      -0.70874000       4.55555000      -1.31990224       0.30069724      -1.44022462
Cr       5.32221000       0.35300000       2.74525000       1.81912318       2.66122117      -0.59711745
O        0.46199000      -0.68393000       6.50668000      -0.88058677      -0.16028290      -2.11840086
O        4.58035000       0.12536000       0.79602000      -0.12042075       0.66165156       1.07006369
O        2.98647000      -0.22880000       5.76068000      -0.84606309       0.10557672      -0.81665597
O        2.07450000      -0.34746000       1.64822000      -1.00514511       1.19662668       0.70697716
O       -1.81438000       0.56536000       4.66828000      -0.07218997      -0.90852776       0.53449311
O        6.37676000       2.20405000       2.54517000       0.69437361      -0.47473938       0.13619325
O        0.95332000       1.02844000       4.19405000      -1.48569101      -0.46621500       0.69279187
O        3.79623000       1.72685000       3.01115000      -2.02206515      -2.44904045       0.55184478
Zn      -3.05589000      -0.18330000       6.25137000       1.10463480       0.01897929       0.37093131
Zn       0.19423000       0.20922000       0.99439000      -0.27601326      -0.18509514       0.24295680
Zn       2.49421000      -0.14518000       3.75565000       1.15626263      -0.17566887      -1.08646834
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.73281467 magmom=12.000147 free_energy=-96.7328531 stress="-0.00998263609165255 -0.013536157567429161 0.00958652413260829 -0.013536157567429161 -0.02794665747128595 -0.004066201968885952 0.00958652413260829 -0.004066201968885952 0.022149198820714686" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41559000       1.07914000       6.08906000       0.28059043      -1.31814783       0.95063908
Cr       2.93635000       1.36175000       1.16495000       1.73283746       1.97171672       0.16239060
Cr      -0.33604000      -0.77216000       4.57889000       1.16304962       0.68999436      -0.33391453
Cr       5.48068000       0.46671000       2.74868000      -2.90396410       0.05472009       0.00933562
O        0.46707000      -0.68546000       6.47032000      -1.21251945       0.43512160      -0.53242545
O        4.57988000       0.14719000       0.95407000       0.02489983       0.61898948      -0.62952617
O        2.85399000      -0.22402000       5.58696000       0.90293911       0.77098177       0.37704715
O        2.01581000      -0.14645000       1.70640000      -0.33814595      -1.90006664       0.01022259
O       -1.95396000       0.46898000       4.71059000       0.66928770      -0.11042339      -0.00149525
O       -0.86458000      -0.64577000       2.61426000       0.03622294      -1.56494955       0.17692685
O        0.79387000       0.89072000       4.16129000      -1.05514217       0.24410007       1.28364729
O        3.64770000       1.57961000       3.18673000       1.72934185       0.49179836      -1.44628381
Zn      -3.12116000      -0.18425000       6.17296000       0.07607618      -0.00321711       1.17532786
Zn       0.15023000       0.11594000       1.12851000       0.21418531       0.02819047      -1.37746003
Zn       2.72557000      -0.08744000       3.64052000      -1.31965877      -0.40880840       0.17556818
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.98326459 magmom=12.0002222 free_energy=-95.98326704 stress="-0.04653701238804146 -0.012953685243289253 0.01495544077283792 -0.012953685243289253 -0.06707543520784846 -0.006258404672634205 0.01495544077283792 -0.006258404672634205 -0.009806089407393257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39518000       1.10440000       6.08126000      -1.55126474      -0.45288777       0.38831098
Cr       3.02890000       1.38798000       1.20532000      -1.16098661       1.34463463      -1.26254204
Cr      -0.40536000      -0.80128000       4.58473000       0.50536311      -0.48932838       1.36384492
Cr       5.50413000       0.55935000       2.74633000      -2.13185264      -3.46440536       0.31269710
O        0.35134000      -0.62024000       6.37088000       0.64576807       0.00265313       2.63841296
O        4.55298000       0.26723000       0.99507000       1.06607022      -0.54335208      -1.45267349
O        2.80765000      -0.13249000       5.50497000       0.93287358      -0.15160265      -0.16679432
O        1.98836000      -0.20029000       1.72866000       1.03039768      -0.43417467       0.14912737
O       -1.95321000       0.36767000       4.73225000      -1.08024334       0.51073462      -0.22743182
O        6.43535000       2.11134000       2.70272000       0.48790549       1.83663540      -1.35801763
O        0.48173000       0.83059000       4.37859000       2.21961217       1.38952854      -1.12589858
O        3.78676000       1.54883000       3.07385000       0.50714592       1.24623964      -0.28673104
Zn      -3.16688000      -0.18970000       6.15346000       0.20756134       0.13326787       1.34642528
Zn       0.11408000       0.03874000       1.19351000       0.29518689      -0.02702307      -1.48793500
Zn       2.88158000      -0.06539000       3.54276000      -1.97353712      -0.90091986       1.16920532
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.28610601 magmom=11.999244 free_energy=-96.28611402 stress="-0.04653682677804307 0.007446061879272181 -0.004353321999242095 0.007446061879272181 -0.03226838121891037 -0.017951859699237478 -0.004353321999242095 -0.017951859699237478 -0.03470496708548651" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30409000       1.09796000       6.10588000       1.54976017       0.70631047       1.05693949
Cr       3.07727000       1.48186000       1.16819000       0.45333261      -0.45930690      -0.03528431
Cr      -0.42572000      -0.81786000       4.65506000      -0.35956784       1.22523962      -0.10230278
Cr       5.43221000       0.47309000       2.73883000       1.87263580       0.51876368      -0.95173534
O        0.36142000      -0.56441000       6.63583000      -0.81224834      -0.52258765      -2.79826608
O        4.64610000       0.30033000       0.78711000       0.47058782      -0.14577947       0.71229898
O        2.86458000      -0.08186000       5.44971000      -0.60748314      -0.34338814      -0.01179630
O        2.15011000      -0.32410000       1.75009000      -0.46409517       1.25706062       0.13608181
O       -2.05042000       0.37812000       4.70197000       0.22423079       0.43865441       0.21747279
O        6.43953000       2.17551000       2.65431000       0.10845414      -0.22888813       0.53875986
O        0.51790000       0.95421000       4.43608000       0.27575010      -0.79675214      -1.41287139
O        3.99020000       1.74764000       2.89255000      -2.39386164      -1.65151342       1.38373180
Zn      -3.19536000      -0.19544000       6.20776000       0.31961183       0.09910049       1.15445486
Zn       0.10149000      -0.01782000       1.17187000       0.92714994       0.04982438      -1.26331758
Zn       2.91537000      -0.09184000       3.51398000      -1.56425706      -0.14673782       1.37583418
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.60454082 magmom=11.9977137 free_energy=-96.6045437 stress="-0.0036255076092045297 0.006145275297478613 -0.013291525848983354 0.006145275297478613 -0.015765073239795462 -0.023517947416549896 -0.013291525848983354 -0.023517947416549896 -0.033416345604435876" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.28040000       1.12729000       6.15137000       1.57821867       0.06634825      -2.87368891
Cr       3.14272000       1.56364000       1.10495000      -0.31423161      -1.55316048       0.14020377
Cr      -0.45414000      -0.76400000       4.71433000       0.60006344       0.95795256      -2.38645446
Cr       5.45365000       0.38384000       2.68661000      -0.01646598       1.72531770       0.67672292
O        0.30874000      -0.59007000       6.49356000      -0.23334793       0.11056812       0.64384455
O        4.79473000       0.27821000       0.70812000      -0.23948779       0.36667910       1.62295097
O        2.79323000      -0.10967000       5.45903000       0.59120984      -0.05609868       1.37033328
O        2.28437000      -0.20293000       1.72881000      -1.36810080       0.82890055      -0.92907956
O       -2.09942000       0.49458000       4.68271000       0.05450205      -0.63953717       0.75857640
O       -0.85194000      -0.68341000       2.70468000       0.30756429      -1.28917020      -0.74922481
O        0.60581000       0.97850000       4.32464000      -0.86556767      -0.18575204       0.56567690
O        3.82507000       1.65126000       2.91837000       0.81999160      -0.42419474       0.35178985
Zn      -3.21015000      -0.20202000       6.32616000      -0.21597559      -0.03939646      -0.80651222
Zn       0.13766000      -0.06906000       1.08166000       0.94809703       0.16912403       0.58043651
Zn       2.85637000      -0.12971000       3.56470000      -1.64646955      -0.03758055       1.03442482
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.86036282 magmom=11.9968421 free_energy=-95.86037232 stress="0.0011684459913447267 -0.03226596207862978 -0.013742593209858427 -0.03226596207862978 -0.0558816351066805 -0.020360142456523858 -0.013742593209858427 -0.020360142456523858 -0.024329984830596275" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34870000       1.16408000       6.06257000      -1.67798583      -1.79709945       1.25721231
Cr       3.19415000       1.57995000       1.06732000      -0.76336187       0.25646383       0.33347864
Cr      -0.47942000      -0.64995000       4.62126000      -0.03069465      -1.10574788      -0.35031026
Cr       5.52562000       0.39575000       2.67281000      -2.11604110      -0.45481926       1.95971690
O        0.29549000      -0.59693000       6.36402000       0.99489708       0.64465887       2.15441662
O        4.83956000       0.29881000       0.87439000      -0.50409391       0.50068757      -1.61504522
O        2.76030000      -0.15399000       5.70804000       2.07046009       1.35760742      -1.32025899
O        2.22611000       0.06933000       1.50573000      -1.44158475      -2.53798811       0.64055448
O       -2.05288000       0.54150000       4.74332000      -0.47971339      -0.61475123       0.19825319
O        6.43429000       2.06202000       2.69761000       0.86475756       0.90216464      -1.53672521
O        0.52562000       0.97125000       4.32555000       1.46516983       1.02799713      -0.92496790
O        3.72194000       1.40601000       2.99767000       0.62271028       1.70746190       0.06758912
Zn      -3.23049000      -0.21556000       6.43800000       0.06937654      -0.68157045      -2.28271806
Zn       0.23526000      -0.11472000       0.99128000       1.24428573       0.97904721       2.08904897
Zn       2.69811000      -0.18050000       3.68069000      -0.31818161      -0.18411219      -0.67024458
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.06259017 magmom=11.9997215 free_energy=-96.06259347 stress="-0.026249436706297997 -0.006568130481610384 -0.02616189085262678 -0.006568130481610384 -0.014548675855949678 -0.024144943970461914 -0.02616189085262678 -0.024144943970461914 -0.012619295293364452" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36475000       1.13383000       6.03319000       0.68798018       1.13439598       2.65751412
Cr       3.17554000       1.57955000       1.07648000      -0.96716030       0.06425403       2.08618652
Cr      -0.50553000      -0.60410000       4.49300000       2.22291823      -1.48156865       1.28129430
Cr       5.48992000       0.39580000       2.74281000      -2.39536344      -0.63161664      -0.46808113
O        0.47531000      -0.49412000       6.54384000      -1.24457284      -0.50145946      -3.02891764
O        4.72879000       0.37701000       0.84284000       0.56475289      -0.31835281      -0.13604704
O        2.91273000      -0.05323000       5.72777000      -0.79202821      -0.28914520      -1.53528883
O        2.10940000      -0.01704000       1.40546000       2.20563477      -0.73320013       1.81075783
O       -1.99280000       0.49906000       4.77547000      -0.49239742       0.78840273      -0.58402312
O        6.47918000       2.04492000       2.53840000      -0.18958548       1.02595718       0.51519263
O        0.62556000       1.09531000       4.25293000       0.16004091      -0.15349327      -0.70799692
O        3.75830000       1.48544000       3.04223000      -0.02342792       0.83799723       0.03972597
Zn      -3.23540000      -0.26413000       6.45324000       0.74788304      -0.77357465      -0.98020761
Zn       0.36489000      -0.10857000       0.98636000      -1.16924041       0.71453868       0.55404813
Zn       2.53991000      -0.23323000       3.75415000       0.68456600       0.31686499      -1.50415720
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.74138109 magmom=12.0001117 free_energy=-96.7413811 stress="-0.032005635436369986 -0.00034312627762942826 -0.002128371857215906 -0.00034312627762942826 -0.03702276746516361 -0.021506127203875375 -0.002128371857215906 -0.021506127203875375 0.012562252712157416" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40507000       1.16176000       6.13292000       0.58784477       1.30672389      -1.02944151
Cr       3.11263000       1.56662000       1.15939000       1.74034902      -1.42605754      -1.10923004
Cr      -0.42762000      -0.64344000       4.44313000       1.52922993       0.31263256       0.37706276
Cr       5.33666000       0.37729000       2.78392000       1.09368078       2.38644907      -1.05548034
O        0.47532000      -0.47757000       6.35039000      -1.32822259      -0.71615629       0.64730643
O        4.65103000       0.37750000       0.79386000       0.64787650      -0.44729381       0.32462630
O        2.93822000       0.02719000       5.52725000       0.45916760      -0.33869904       1.57355593
O        2.33389000      -0.21454000       1.64355000      -3.07031234       1.84223612       1.05982740
O       -1.94801000       0.56555000       4.66563000      -0.18616314      -0.24986801       0.44350224
O        6.42420000       2.22460000       2.51464000      -0.27324089      -0.43922940       0.15978659
O        0.75120000       1.15308000       4.13504000      -0.98133340      -1.53004021       0.79912793
O        3.80009000       1.72073000       3.03740000      -0.92381179      -1.44490632       0.03179184
Zn      -3.20353000      -0.35762000       6.40502000       0.36490279      -0.07619044      -0.54538817
Zn       0.44266000      -0.05800000       1.02371000      -0.44108413       0.04951113       0.38605164
Zn       2.42751000      -0.26371000       3.73962000       0.78111689       0.77088829      -2.06309901
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.57194769 magmom=11.9995823 free_energy=-96.57194769 stress="-0.01925739525807965 -0.00196826622549603 -0.006301796723858424 -0.00196826622549603 -0.020094102792440397 -0.008251346286278303 -0.006301796723858424 -0.008251346286278303 -0.02326534147738826" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.84466000      -1.66753000       6.17136000      -1.41779596      -0.95607204      -1.49676289
Cr       3.10818000       1.50365000       1.19359000      -0.77738278       0.39262718      -1.08511021
Cr      -0.30379000      -0.67269000       4.42497000      -1.69617887       0.06061484       0.14482940
Cr       5.26684000       0.47512000       2.77569000       1.84498552       1.16302714      -0.15068187
O        0.34860000      -0.55630000       6.28934000       1.11379806       0.47538636       1.94766998
O        4.63390000       0.28766000       0.79997000      -0.08169455       0.27283686       0.33886858
O        2.95811000       0.03114000       5.59281000      -0.08855018      -0.40910804       0.09715593
O        2.22127000      -0.12944000       1.89702000      -0.56656490      -0.06001815      -3.47930408
O        5.96215000       0.59556000       4.58585000      -0.48377474      -0.76527265       1.25994335
O       -1.00610000      -0.60284000       2.55500000       1.00845552      -0.97259268      -0.90911911
O        0.71555000       0.97424000       4.19894000       1.13285733       1.14619241       0.18988754
O        3.74135000       1.71955000       2.98672000      -0.43637618      -0.39441430       0.75873410
Zn      -3.14946000      -0.45378000       6.34129000       1.02983925       0.30301717       0.07476430
Zn       0.47072000      -0.00414000       1.06961000      -1.44936364      -0.24463829      -0.34467974
Zn       2.36696000      -0.25819000       3.66246000       0.86774614      -0.01158582       2.65380472
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.62199036 magmom=12.001793 free_energy=-96.62199057 stress="-0.04036748527619009 -0.01525756688909488 -0.00810232832727152 -0.01525756688909488 -0.027382247762480893 -0.009176227339192492 -0.00810232832727152 -0.009176227339192492 0.010183327080289899" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.87538000      -1.64619000       6.14174000       0.28681116      -1.95291623       2.06162117
Cr       3.08107000       1.46181000       1.15676000      -0.56407434       1.88241483      -0.24300604
Cr      -0.28896000      -0.69755000       4.43772000      -1.27354683      -0.01099358       1.34028364
Cr       5.32629000       0.63138000       2.76207000      -0.85450104      -2.76758041      -0.27710583
O        0.44624000      -0.54082000       6.50630000      -0.81501334       0.46303443      -1.68022617
O        4.56849000       0.26053000       0.85614000       1.16654802       0.69314538       0.33365744
O        2.93394000      -0.03811000       5.71668000       0.52863513       0.47341333      -0.83896525
O        2.07075000      -0.03442000       1.65382000       1.54953813      -1.98710612       1.50807180
O       -1.87638000       0.50420000       4.66801000       0.13727775       0.21025147       0.01455754
O        6.30842000       2.22964000       2.49401000       1.09131917       0.98043968       0.42836117
O        0.79825000       0.97835000       4.32626000      -0.44932155       0.54612384      -1.38052282
O        3.63394000       1.62209000       3.02872000       0.28923925       0.79999054       0.64177019
Zn      -3.04746000      -0.54233000       6.28731000       0.26648161       0.32980854       0.42534148
Zn       0.39571000       0.04435000       1.07928000      -2.99800950      -0.10826285      -1.85092419
Zn       2.35896000      -0.24463000       3.67605000       1.63861639       0.44823715      -0.48291413
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.73701555 magmom=12.000232 free_energy=-96.73701555 stress="-0.0007927933247245646 0.007380413848565378 0.014595980428377002 0.007380413848565378 -0.015930146725805977 -0.015586530059046035 0.014595980428377002 -0.015586530059046035 0.0226883678166826" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40615000       1.18902000       6.21061000       2.17363634       0.85705038      -0.27989251
Cr       3.01706000       1.51013000       1.10704000       1.13965790      -0.40338311       1.88374139
Cr      -0.36801000      -0.72828000       4.53234000       2.38335761       0.70175315       0.25881763
Cr       5.37204000       0.65828000       2.73576000      -1.14629565      -2.23263289       0.64085160
O        0.49472000      -0.45328000       6.49082000      -1.74751862      -1.19117188      -1.04218516
O        4.63199000       0.37675000       0.97138000       0.29872805      -0.39579726      -1.15210403
O        2.94573000      -0.07389000       5.72797000       0.51452635       0.18687777      -0.07005334
O        2.18897000      -0.24309000       1.53952000      -2.45471416       1.25975021       0.66251446
O       -1.82579000       0.44728000       4.74981000      -1.40174915       0.73234602      -0.11066720
O       -0.83394000      -0.66583000       2.53655000      -0.61529731       0.46994376       0.59118047
O        0.80828000       1.11474000       4.29090000      -0.90673528      -1.03158652       0.01792097
O        3.62399000       1.65381000       3.12840000       0.98410377       0.25407320      -0.66873784
Zn      -2.91020000      -0.63265000       6.24591000      -0.84103268       0.46077626       0.05426131
Zn       0.15996000       0.09956000       0.99496000       0.71562791      -0.27531015      -0.39435338
Zn       2.43910000      -0.20406000       3.68687000       0.90370494       0.60731107      -0.39129437
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.8016625 magmom=12.0000455 free_energy=-96.8016625 stress="0.037452232039210644 0.013679089655581622 0.01089301406188638 0.013679089655581622 0.020703511597514882 -0.015258974917380095 0.01089301406188638 -0.015258974917380095 0.022515633221503066" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49398000       1.14363000       6.26251000      -0.52908431       0.53551614      -2.17840792
Cr      10.85611000       1.54826000       1.14902000      -0.15321041      -0.74863891      -0.05067046
Cr      -0.35786000      -0.71379000       4.63597000       0.69765736       1.19903366      -1.68440800
Cr       5.37296000       0.55812000       2.74329000       0.99264199      -0.14744586       1.28208869
O        0.35575000      -0.52708000       6.37818000       1.15745780      -0.08240834       2.65924588
O        4.69773000       0.43030000       0.90476000      -0.83890428      -0.67144844      -0.21068691
O        3.00085000      -0.08864000       5.73294000       0.01682707      -0.05935962      -0.37859105
O        2.01915000      -0.26772000       1.55170000       0.43143673       1.39038324       0.67556970
O       -1.94188000       0.51871000       4.77699000      -0.65323518      -0.18340342       0.07135959
O       -0.84855000      -0.58696000       2.68593000      -0.83507304      -0.69017327      -1.23971952
O        0.68245000       1.07756000       4.28530000       1.27072348      -0.44060155       0.61284218
O        3.78324000       1.72733000       3.06005000      -1.05531735      -0.00448508      -0.34458123
Zn      -2.80926000      -0.69929000       6.20613000      -0.71513339       0.79023098      -0.49578687
Zn      -0.05553000       0.14184000       0.89370000       0.88921524      -0.73292697       1.26761308
Zn       2.56120000      -0.13687000       3.67943000      -0.67600172      -0.15427256       0.01413283
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.45775547 magmom=11.9999259 free_energy=-96.45775547 stress="0.02438374741761804 -0.01408816587819729 0.00493179332254553 -0.01408816587819729 -0.015232770989888608 -0.0015225146955283797 0.00493179332254553 -0.0015225146955283797 -0.0014184985291229636" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55205000       1.14151000       6.19712000      -1.51564568      -0.36522931       0.92809474
Cr      10.82984000       1.53869000       1.18811000      -0.29703291       0.76046988      -0.64410405
Cr      -0.30038000      -0.64411000       4.65803000      -0.29181394      -0.59712604      -0.00149318
Cr       5.40825000       0.46971000       2.80656000      -2.16746122       1.47669285      -0.87962159
O        0.41761000      -0.62197000       6.59298000      -0.02321332       0.44223863      -2.51535877
O        4.58791000       0.33834000       0.82278000       0.89730914       0.05743341       1.52613247
O        3.00231000      -0.11880000       5.67886000       0.57766050       0.17534575      -0.76513004
O        1.96692000      -0.02386000       1.68405000       0.21846320      -0.98025762       0.62400421
O        5.76864000       0.59180000       4.77616000       1.15093997      -0.09532022       0.34982757
O       -1.00135000      -0.66981000       2.66559000       2.22962272      -0.60658398      -0.36455604
O        0.72713000       0.97076000       4.42578000       0.03585477       0.75973068      -0.87657944
O        3.77296000       1.76411000       2.92443000      -0.64478556      -0.85609555       1.89917315
Zn      -2.75866000      -0.72046000       6.15022000      -0.72049328       0.56978347      -0.26403059
Zn      -0.19413000       0.14531000       0.86573000       1.11149798      -0.73615503       1.27657385
Zn       2.63979000      -0.08204000       3.66869000      -0.56090237      -0.00492691      -0.29293229
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.33561979 magmom=11.9994272 free_energy=-96.33561979 stress="0.015958029906361748 -0.040733347611459546 0.006714057539192374 -0.040733347611459546 -0.027984923857902796 0.006815396647435588 0.006714057539192374 0.006815396647435588 -0.007833698717768733" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53445000       1.12776000       6.17510000       0.97478922       0.05675558       1.15090950
Cr      10.78052000       1.55904000       1.18502000       0.46290220       0.35695127       0.60661484
Cr      -0.25066000      -0.60213000       4.66134000      -0.26157013      -1.13002659      -0.91836680
Cr       5.35491000       0.44447000       2.82869000      -0.56264046      -0.38390343      -0.45976485
O        0.55686000      -0.58911000       6.49037000      -1.21125454       0.34089116       0.12637795
O        4.56932000       0.24954000       0.98524000       0.70875434       1.03888563      -0.81419884
O        3.02161000      -0.14469000       5.53053000       0.36651438       0.14087038       1.09008729
O        2.03717000       0.05803000       1.87841000      -1.11362940      -1.89186334      -1.72205225
O        5.85666000       0.64643000       4.78962000       0.77500781      -0.47734526       0.06385105
O        6.41868000       2.07653000       2.57428000      -0.41544984       1.04107615       0.59097404
O        0.75980000       0.99228000       4.45270000      -0.53235557       0.80971588      -1.43708983
O        3.65428000       1.66012000       3.06156000       1.60775210       0.40547458       0.24852797
Zn      -2.74459000      -0.71113000       6.07689000      -0.94604469       0.18472831       0.51106730
Zn      -0.27886000       0.10951000       0.91057000       1.04042086      -0.26464023       0.21316086
Zn       2.68513000      -0.02633000       3.64993000      -0.89319628      -0.22757009       0.74990178
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.63219847 magmom=11.9992608 free_energy=-95.63228142 stress="-0.019055716606796714 -0.007721995340203132 0.025397022233218196 -0.007721995340203132 -0.030000437015489375 -0.008691269688510986 0.025397022233218196 -0.008691269688510986 0.035839099163317414" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55532000       1.12560000       6.21073000       0.64337690       1.58379615      -1.04828494
Cr      10.73599000       1.60233000       1.21421000       1.15381944      -1.81821866      -0.79800566
Cr      -0.19746000      -0.61438000       4.59030000      -0.40768667       0.57432438      -1.69059981
Cr       5.26289000       0.40566000       2.83267000       3.98017578       0.20784105       1.16734219
O        0.56300000      -0.45032000       6.36934000      -0.71602995      -1.33507047       2.51574826
O        4.62245000       0.31602000       1.04569000      -1.07764902      -0.07740200      -1.55746069
O        3.07139000      -0.16137000       5.59361000      -0.05700354       0.53731116       0.40234250
O        2.01296000      -0.21357000       1.72922000      -0.02831206       1.45664607       0.13088792
O       -1.69406000       0.59433000       4.78827000      -2.31759410      -0.67112522       0.19248903
O        6.45903000       2.02365000       2.59800000      -1.38316905       0.47956143       0.25262302
O        0.70384000       1.16782000       4.25715000       2.60543574      -1.33161159       0.44006450
O        3.84552000       1.60763000       3.30153000      -1.30626820       0.63910310      -0.61373626
Zn      -2.77891000      -0.68416000       6.00046000      -0.36906163       0.28742078       1.18587652
Zn      -0.33532000       0.04275000       0.99489000       1.10235500       0.19451304      -0.92731263
Zn       2.68627000       0.03726000       3.66337000      -1.82238865      -0.72708922       0.34802605
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-94.89597457 magmom=12.0187224 free_energy=-94.89876971 stress="-0.029911662096324107 0.019280072015141467 0.022996712922700516 0.019280072015141467 -0.022986862173541463 -0.011732112743359288 0.022996712922700516 -0.011732112743359288 0.046970747814572035" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60723000       1.19994000       6.21265000      -2.05457911      -0.24520482       1.35181818
Cr      10.74549000       1.54624000       1.20607000       0.61434145      -1.14930251      -1.38473432
Cr      -0.13604000      -0.62856000       4.40579000       0.72759848      -0.72444673       1.92729209
Cr       5.35451000       0.37356000       2.88474000      -0.80847098       0.78233508       0.06657665
O        0.49000000      -0.45640000       6.59795000       0.63443987      -0.24359010      -2.81048303
O        4.50830000       0.38861000       0.89919000       0.98476374      -0.67415978       2.06133906
O        3.08223000      -0.07529000       5.81631000       0.11297254       0.64140455      -1.03743840
O        1.95174000      -0.29643000       1.44854000      -0.56406273       1.85390140       1.61161729
O       -1.65101000       0.43964000       4.78311000      -0.62917195       1.25576410      -0.21424678
O        6.23926000       2.07402000       2.70180000       2.18613681       0.21603497      -1.53215981
O        1.00973000       1.17101000       4.12888000      -0.98860148      -0.39572195       1.02969664
O        3.96153000       1.66022000       3.47084000      -2.25627538      -0.84863922      -0.37155111
Zn      -2.84998000      -0.63640000       5.96624000       0.03245944       0.02772198       1.43023893
Zn      -0.34428000      -0.03491000       1.05864000       1.61786184       0.06368652      -1.65836877
Zn       2.59390000       0.08425000       3.70403000       0.39058745      -0.55978349      -0.46959663
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.49490817 magmom=12.1457569 free_energy=-95.50075415 stress="-0.01788995551294965 0.006232097541789321 0.022797651979069498 0.006232097541789321 -0.015435972937647301 -0.003121709932019001 0.022797651979069498 -0.003121709932019001 0.021004121058261795" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.73977000      -1.64147000       6.28341000      -0.14033685      -0.29259315       0.40188384
Cr       2.91880000       1.43329000       1.09863000      -0.74659008       2.07344709       0.46497328
Cr      -0.06142000      -0.67231000       4.33286000      -0.64960515       0.22644930       2.81392164
Cr       5.41441000       0.38791000       2.94030000      -3.12532695       0.05126725      -0.56908253
O        0.55917000      -0.50804000       6.45065000      -0.54752381       0.57133865      -0.71284121
O        4.51359000       0.30805000       1.05835000       0.74378512      -0.38424816      -0.10949949
O        3.03938000       0.08724000       5.89115000       0.46151634      -0.65879353      -0.46247866
O        1.87259000      -0.04832000       1.45021000       0.04700244      -1.60425247       0.94467076
O       -1.71332000       0.48312000       4.71882000       1.03769504       0.20114339       0.26076830
O        6.33268000       2.11134000       2.59096000       0.31948955      -0.64131660       0.40958861
O        1.07559000       1.14454000       4.26784000      -1.97464455       0.34256334       0.25075791
O        3.73778000       1.63406000       3.50723000       0.98423635       0.62631392      -1.23422844
Zn      -2.91664000      -0.58984000       6.00119000       0.06578273       0.05601685       0.88411029
Zn      -0.27142000      -0.09924000       1.03435000       2.06740207       0.59586115      -2.56149717
Zn       2.53485000       0.08252000       3.71467000       1.45711775      -1.16319703      -0.78104713
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.56486894 magmom=11.999463 free_energy=-95.56517128 stress="-0.016485261647877367 -0.0033636946576520665 0.020757018151590794 -0.0033636946576520665 -0.02311815871555127 0.0016243310108348325 0.020757018151590794 0.0016243310108348325 0.024046347724611613" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.78391000      -1.59823000       6.36136000       1.05981453      -0.68031530      -1.38521146
Cr       2.90598000       1.42416000       1.02305000      -0.35487556       1.33814416       1.72823614
Cr      -0.06984000      -0.68623000       4.41752000      -2.43117917       1.61302406       0.65002303
Cr       5.32435000       0.41324000       2.96002000       0.93898111       0.10485115      -0.91224009
O        0.55894000      -0.44143000       6.28501000      -1.21826210       0.23980047       3.11343722
O        4.56982000       0.18588000       1.14864000      -0.69320663       0.79802570      -2.13913511
O        3.00029000       0.10810000       5.87429000       0.34976127      -0.42577342      -0.61311562
O        1.89506000      -0.03921000       1.60872000       0.40012073      -1.37215488       0.06527640
O       -1.61452000       0.56108000       4.67224000      -1.35005073      -0.81192438       0.87942542
O        6.45966000       2.02138000       2.57755000      -0.95688699       0.70712598      -0.11904825
O        0.85241000       1.14750000       4.45535000       3.09760537      -1.09362514      -1.66522653
O        3.68822000       1.70152000       3.31548000      -0.02664246      -0.63877025      -0.05286307
Zn      -2.96356000      -0.55081000       6.07376000       0.56978692       0.16258802       0.57067291
Zn      -0.11927000      -0.12444000       0.90517000       0.85236742       0.21037492      -0.19675971
Zn       2.55507000       0.02445000       3.68590000      -0.23733371      -0.15137109       0.07652872
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.65845362 magmom=12.0005404 free_energy=-96.65845362 stress="0.016409889720442987 -0.004785765196206264 0.012878821961399577 -0.004785765196206264 -0.005342319141897193 -0.00832541433749025 0.012878821961399577 -0.00832541433749025 -0.003551983711482704" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.77333000      -1.60009000       6.34318000      -0.49049942      -0.84690629      -1.86214016
Cr      10.73187000       1.48608000       1.07541000       0.36936961      -0.46193898       3.44082717
Cr      -0.18740000      -0.63797000       4.53918000       0.77406450      -0.42877369      -0.00073803
Cr       5.29221000       0.43454000       2.90875000       1.13908558      -0.21796476      -1.36046436
O        0.41963000      -0.36897000       6.55911000       0.12536832      -0.79959352      -3.00230441
O        4.49800000       0.23546000       0.91668000       0.63799255       0.86089739       1.69137981
O        2.98884000       0.03140000       5.77366000       0.66575024       0.22090720      -0.05967845
O        2.00357000      -0.24397000       1.70350000      -0.65207730       0.59609350      -0.71107466
O       -1.72053000       0.51733000       4.75500000      -1.11727608       0.03865953       0.34598179
O        6.36216000       2.06156000       2.62735000       0.08237120       1.01302511      -0.25247313
O        1.02366000       1.02420000       4.38251000      -1.70883404       0.75289219      -0.02916703
O        3.70706000       1.67312000       3.12141000      -0.45670650      -0.47878853       0.24594014
Zn      -2.97524000      -0.51787000       6.15394000       0.26809600      -0.09715125      -0.29642611
Zn       0.05071000      -0.12510000       0.79190000       0.52926591       0.20718003       1.72186418
Zn       2.56548000      -0.03389000       3.65981000      -0.16597057      -0.35853792       0.12847324
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.15839822 magmom=11.9996085 free_energy=-97.15839822 stress="0.00585662544202817 0.01957915708714853 0.0030932615141552816 0.01957915708714853 0.0027297921485186613 -0.02417155061260522 0.0030932615141552816 -0.02417155061260522 0.009146493145482803" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.78541000      -1.64721000       6.23918000      -1.05792662      -0.76991776       0.31942622
Cr      10.73797000       1.51272000       1.23986000       1.66726219      -0.52733443      -2.29742729
Cr      -0.27362000      -0.61492000       4.63080000      -0.28507826      -0.52073489      -0.79864841
Cr       5.33757000       0.44926000       2.80364000      -0.57233931       0.61895687      -0.13630118
O        0.38804000      -0.45320000       6.48511000       0.53268882      -0.15073735      -0.14741603
O        4.49129000       0.39160000       0.91891000       0.66736684      -0.74150677       0.39816563
O        3.01208000      -0.01816000       5.70396000       0.06270196       0.29084257      -0.21864498
O        2.00839000      -0.26183000       1.64696000      -1.28825527       1.30743703       0.64317926
O       -1.92649000       0.48437000       4.82262000       0.52406319       0.57407255      -0.60539391
O       -1.03279000      -0.68711000       2.64552000       1.55137057      -0.80688275      -0.23562275
O        0.90080000       1.04329000       4.33780000      -0.94453012       0.30550784      -0.07952482
O        3.67009000       1.58733000       2.99675000      -0.26409872       0.64467680       1.47715820
Zn      -2.96747000      -0.50581000       6.20557000      -0.07187045      -0.47007968      -0.38306959
Zn       0.19876000      -0.10910000       0.78209000      -0.10810927       0.38461333       1.58608639
Zn       2.56225000      -0.09285000       3.64955000      -0.41324553      -0.13891334       0.47803325
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.14243968 magmom=11.9998743 free_energy=-97.14243968 stress="-0.008141162660011273 0.005577013204410878 -0.0076024208578939715 0.005577013204410878 -0.00635953628190653 -0.023068560993946566 -0.0076024208578939715 -0.023068560993946566 0.006319959028577033" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45134000       1.18740000       6.15282000       0.37066910      -0.01488240       0.42185090
Cr       2.96382000       1.51532000       1.27154000       0.12405151       1.26300261      -1.88793184
Cr      -0.37683000      -0.62059000       4.65670000      -0.39301205      -0.09659183      -1.62390983
Cr       5.38330000       0.49540000       2.71196000      -0.17906336       0.30884441       1.93310465
O        0.49619000      -0.55022000       6.39299000      -0.96447754       0.63061509       2.09345674
O        4.55947000       0.38318000       0.98467000      -0.18167169      -0.68664178      -1.39239624
O        2.97521000      -0.03710000       5.63902000       0.07248055      -0.21819083      -0.00404961
O        1.94932000      -0.05722000       1.69150000       1.48662608      -0.92617185       0.74867656
O       -1.97336000       0.55746000       4.74699000      -0.31925429      -0.02445904       0.22136548
O       -0.94529000      -0.67403000       2.62953000       0.21728636      -0.38411115      -0.53223674
O        0.60383000       1.10997000       4.34031000       1.40228202      -0.32937110      -0.38503301
O        3.60249000       1.62927000       3.09223000       0.64933317       0.29803371       0.15311577
Zn      -2.96064000      -0.52485000       6.22945000      -0.36412948      -0.02915961      -0.52492376
Zn       0.30294000      -0.06960000       0.84825000      -1.46567191       0.14940537       0.35021832
Zn       2.53847000      -0.15177000       3.66518000      -0.45544847       0.05967839       0.42869260
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.77012256 magmom=12.0000071 free_energy=-96.77012256 stress="0.0028540474942873417 -0.02806546581459142 -0.005869498641981432 -0.02806546581459142 -0.0334995205729568 -0.007460958358031236 -0.005869498641981432 -0.007460958358031236 0.012255310909602309" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38818000       1.10683000       6.09526000       0.17652772       0.89071557       1.52633708
Cr      10.93855000       1.58084000       1.18874000      -0.05859543      -0.27680602       1.99447078
Cr      -0.50511000      -0.62966000       4.58790000       1.76124210       0.82420160      -0.19751172
Cr       5.42189000       0.56196000       2.70856000      -1.92653159      -1.57934114       0.28099744
O        0.46814000      -0.53697000       6.61405000      -1.47794827      -0.44352423      -2.43919971
O        4.61017000       0.25310000       0.85360000       1.24476222       1.63924842       0.12596766
O        2.89527000      -0.11018000       5.59894000       0.53745415      -0.10096245       0.32875355
O        2.17376000       0.00659000       1.83762000      -1.39085617      -1.12489347      -1.20782555
O        5.84320000       0.63284000       4.66318000      -0.79993611      -0.94598996       0.85778834
O        6.43326000       2.17276000       2.54393000       0.08616386       1.33437533       0.02541902
O        0.50464000       1.10549000       4.33489000       0.82375015      -0.38215066      -0.19461488
O        3.69547000       1.74980000       3.18295000       1.22448955      -0.08230682      -1.29405723
Zn      -2.97267000      -0.55907000       6.22848000      -0.61694260       0.27569168      -0.19688819
Zn       0.34497000      -0.00828000       0.94969000       0.06500625      -0.12267777       0.42313624
Zn       2.49040000      -0.21219000       3.70635000       0.35141417       0.09441990      -0.03277283
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.49648716 magmom=12.0005236 free_energy=-96.49648716 stress="0.0012378378602289988 -0.020477671315424554 -0.008571704169008931 -0.020477671315424554 -0.033773750014515255 -0.0069069055223602484 -0.008571704169008931 -0.0069069055223602484 0.012226490310549414" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31923000       1.05818000       6.11865000      -0.64674868       0.45484310       0.72459756
Cr      11.08445000       1.65130000       1.17097000      -0.67300639      -1.34818305      -0.30295304
Cr      -0.56800000      -0.60374000       4.48137000       1.63065677      -0.48076444       1.21215105
Cr       5.38791000       0.56749000       2.72868000       2.19087061       0.91344071      -1.48995791
O        0.19925000      -0.54518000       6.53095000       0.95093028      -0.29118331      -0.55571531
O        4.80393000       0.36786000       0.72417000      -0.65241524       0.31612894       0.77713913
O        2.85500000      -0.22053000       5.64328000       0.39400889       0.56259165      -0.43383751
O        2.28431000      -0.12889000       1.77925000      -0.27960581       0.72661296       0.54343367
O        5.71687000       0.57476000       4.68095000       0.54056853       0.18848872       0.19995707
O       -0.85942000      -0.61443000       2.50520000       0.15584285      -0.03101319       0.67606056
O        0.56455000       1.00854000       4.32830000       0.03752233       0.38588674      -0.87111784
O        4.02979000       1.85493000       2.96436000      -3.39632670      -1.49613874       0.50016066
Zn      -3.01671000      -0.59411000       6.22116000      -0.10247144       0.34331734       0.88298578
Zn       0.38472000       0.06926000       1.08911000      -0.20408139      -0.19178651      -0.89338081
Zn       2.44448000      -0.28174000       3.75416000       0.05425538      -0.05224091      -0.96952306
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.56984725 magmom=12.0006716 free_energy=-95.56984774 stress="-0.006366820148022473 0.0079983988803939 -0.019542325286438234 0.0079983988803939 -0.016193768884884233 -0.017086253010189976 -0.019542325286438234 -0.017086253010189976 -0.04151645106192278" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.21012000       1.04190000       6.17563000       0.95982907       1.00561595      -2.11915323
Cr       3.32184000       1.64817000       1.14123000      -3.17380684      -0.75512292      -2.14059230
Cr      -0.53446000      -0.59392000       4.44441000       0.99619059      -1.02830883       2.03783895
Cr       5.43961000       0.59303000       2.68603000      -0.44504008       0.30749292      -0.11721747
O        0.14398000      -0.60116000       6.28695000       1.15265177      -0.30796914       2.09829796
O        4.85687000       0.55413000       0.72514000      -0.34904681      -1.42259333      -0.03093655
O        2.84067000      -0.24384000       5.65746000      -0.15033144       0.35841732      -0.09471261
O        2.35855000      -0.15389000       1.74513000      -0.60604102       0.92344648       0.19748430
O        5.72705000       0.53098000       4.67271000       0.36053008       0.51023183      -0.27799789
O       -0.85852000      -0.48029000       2.60137000       0.32013630      -1.44683733      -1.45643611
O        0.63702000       0.95350000       4.23018000       0.13210025       0.64652391       0.01947893
O        3.91889000       1.77465000       2.79794000       0.31057339       0.72704316       3.40367082
Zn      -3.07173000      -0.62062000       6.25652000       0.03662114       0.40673067       0.90553788
Zn       0.42102000       0.15296000       1.19869000       0.03949459      -0.17452503      -1.46075964
Zn       2.39758000      -0.36067000       3.75840000       0.41613901       0.24985435      -0.96450303
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.65012775 magmom=12.0025655 free_energy=-95.65012775 stress="-0.024302504096307437 -0.006363601657668129 -0.004820899643475812 -0.006363601657668129 -0.0511490913711378 -0.008364724285708414 -0.004820899643475812 -0.008364724285708414 0.012849155113573357" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.15751000       1.08495000       6.10662000       5.27033675      -0.47994154      -1.04141833
Cr       3.24665000       1.59532000       1.04754000      -1.48925686       1.04403228       3.10875542
Cr      -0.42952000      -0.63982000       4.52529000      -0.22462906      -0.38146423      -1.24006187
Cr       5.49827000       0.64149000       2.62986000      -2.65046587      -1.61863750       1.04819637
O        0.34337000      -0.67890000       6.36888000      -2.77932416       1.47701410       0.94379727
O        4.74155000       0.45645000       0.73785000       0.42471948      -0.87058802      -0.32230178
O        2.78026000      -0.18731000       5.67309000       0.21538138       0.11343157      -0.09128725
O        2.34493000       0.02002000       1.70995000      -1.10002752      -1.01320073      -0.32170142
O        5.91956000       0.58866000       4.55598000      -0.29375328      -0.12302768       0.99691618
O       -0.82862000      -0.61465000       2.53190000       0.54744608       0.47683578      -0.17645195
O        0.68885000       0.97367000       4.15342000      -0.72073317      -0.21997687       0.55748985
O        3.73452000       1.76918000       3.05714000       1.55854488       0.44525801      -1.61010482
Zn      -3.14342000      -0.63578000       6.35598000      -0.36384317       0.36012962       0.42139289
Zn       0.46679000       0.25623000       1.24800000      -0.49766848      -0.29386174      -1.47789047
Zn       2.37059000      -0.44133000       3.70192000       2.10327299       1.08399694      -0.79533009
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.58915434 magmom=12.0004435 free_energy=-95.58915434 stress="-0.048525505297399484 -0.045360877512812106 -0.0053740731815826535 -0.045360877512812106 -0.06849426525472865 0.00771778232778467 -0.0053740731815826535 0.00771778232778467 0.027947265831180453" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34593000       1.13646000       5.99059000      -1.34933520      -0.44749237       3.65071605
Cr      10.94057000       1.58481000       1.11685000       1.27760866       0.17359277       0.45503462
Cr      -0.34161000      -0.70656000       4.56312000      -0.50182058       1.10961920      -1.23803864
Cr       5.42473000       0.60632000       2.63337000       0.38170557      -1.31136924       0.64358548
O        0.27387000      -0.57001000       6.54965000       0.32611691      -0.04448378      -2.58381791
O        4.62453000       0.21581000       0.72026000       0.75300957       2.19232838       0.25794509
O        2.76249000      -0.10586000       5.66239000       1.86907131      -0.01399117      -1.26586686
O        2.18338000       0.01302000       1.64248000       0.77845933      -1.96050516       1.60421975
O       -1.75836000       0.60452000       4.54441000      -2.35138335      -1.53513712       0.61984509
O        6.53511000       2.18043000       2.42904000      -0.18142053       1.07486366       0.46547653
O        0.65240000       0.97189000       4.18720000       1.37179534       0.51455262      -0.43720783
O        3.84133000       1.85417000       3.06324000      -0.58588283      -0.57655741      -0.86588315
Zn      -3.23833000      -0.63735000       6.49410000       0.25280492       0.48543594       0.27374441
Zn       0.47297000       0.36432000       1.21784000      -3.19360247      -0.22126908      -1.54190270
Zn       2.44200000      -0.48056000       3.59567000       1.15287335       0.56041277      -0.03784993
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.56663955 magmom=11.9999556 free_energy=-96.56663955 stress="-0.002644865163420066 -0.0033130881271688575 -0.00885872776804908 -0.0033130881271688575 -0.01189748505410222 -0.00823339943845472 -0.00885872776804908 -0.00823339943845472 -0.008053088443868024" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46471000       1.15539000       6.06218000      -1.57278932       0.03721461       0.21326586
Cr      10.88309000       1.58330000       1.17730000       1.53590899      -1.30513764      -2.77648600
Cr      -0.33005000      -0.72136000       4.51966000      -0.62726306       0.16234624      -1.07169404
Cr       5.39435000       0.51866000       2.67646000       1.97576181       0.48956641       0.13774401
O        0.29247000      -0.46047000       6.35692000       1.24762095      -0.52238591       1.02968621
O        4.58011000       0.32800000       0.75046000       0.18654058       0.37541587       0.25379529
O        2.96373000      -0.06013000       5.49342000       0.30893412      -0.22641633       0.58476547
O        2.14261000      -0.24077000       1.76157000      -1.35426303       1.62103720      -1.55053249
O       -1.88888000       0.45748000       4.61346000      -0.11697123       0.61598385      -0.01122268
O        6.50722000       2.24170000       2.46747000      -0.44092389      -0.07464864       0.32087419
O        0.78717000       1.02051000       4.21533000      -0.14350785      -0.33387845       0.01851365
O        3.87598000       1.79902000       2.88274000      -1.00680077      -1.10224606       1.00529098
Zn      -3.30204000      -0.61995000       6.60883000       0.34605603       0.76107368      -0.87186227
Zn       0.35696000       0.43673000       1.13002000      -0.73263210      -0.78634558       0.16816488
Zn       2.55231000      -0.48349000       3.52701000       0.39432877       0.28842076       2.54969693
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.71757525 magmom=11.9995866 free_energy=-96.71757525 stress="-0.007525044557184941 0.018629735843415447 -0.007711616690443721 0.018629735843415447 -0.004137258579325788 -0.013360257185198343 -0.007711616690443721 -0.013360257185198343 -0.01943016637857059" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47123000       1.17113000       6.12963000       0.61015172       0.37119728      -1.60890055
Cr       3.05125000       1.53471000       1.09114000      -0.87952749       0.37479358      -0.64621064
Cr      -0.36370000      -0.71605000       4.45411000       1.07041770       0.35734262       1.08682119
Cr       5.45250000       0.46939000       2.72153000      -1.92496920       0.24032568      -0.26633155
O        0.51544000      -0.48611000       6.31852000      -1.08838675      -0.75390610       1.01498341
O        4.57303000       0.44219000       0.79795000       1.22954694      -1.40025476       0.00359670
O        3.10799000      -0.06574000       5.48802000      -1.05047294       0.05015536       0.94984667
O        2.00782000      -0.20122000       1.63081000       0.75623064       0.37365369      -0.09365609
O       -1.93535000       0.46641000       4.61606000       0.58306674       0.49283065       0.35482818
O       -0.89990000      -0.65725000       2.57299000       1.14208986      -0.89503056      -0.89477350
O        0.83855000       1.00064000       4.26761000      -0.63917430      -0.06226937      -0.61671341
O        3.79599000       1.62004000       2.86910000      -0.13089628       0.56617844       0.82822114
Zn      -3.33482000      -0.57869000       6.64820000       0.21570215       0.66072112      -1.20569833
Zn       8.10101000       0.45529000       1.07327000       0.40170915      -0.80696104       0.80788634
Zn       2.64344000      -0.46940000       3.57075000      -0.29548794       0.43122340       0.28610045
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.59789075 magmom=12.0001118 free_energy=-96.59789075 stress="-0.02059124828168258 -0.004846398767273786 0.0004096594541944274 -0.004846398767273786 -0.028447832641099045 -0.004429912712404997 0.0004096594541944274 -0.004429912712404997 -0.016728333700573746" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49406000       1.18935000       6.10116000      -0.27311698      -1.53749142       0.24760670
Cr       3.06066000       1.49625000       0.97555000       0.28550498       0.57281823       2.76277821
Cr      -0.34734000      -0.68587000       4.45372000       1.54663358       0.30775480       0.95595371
Cr       5.42142000       0.42935000       2.75389000      -0.96428438      -0.52278656      -0.43546704
O        0.57441000      -0.59829000       6.44159000      -1.67973902       0.92697385      -2.18550133
O        4.69500000       0.28535000       0.83261000       0.00111089       0.20879412      -0.24770993
O        2.97938000      -0.05924000       5.65636000       0.11123087       0.23583539      -1.03374483
O        2.03839000      -0.05782000       1.44241000       0.07941760      -1.18568863       0.67495041
O       -1.81010000       0.57992000       4.61342000      -1.32740121      -1.03374881       0.65094431
O        6.42134000       2.11724000       2.56825000       0.27300030       0.57081364      -0.76052096
O        0.75525000       0.97021000       4.25860000       0.91624288       0.86811408      -0.47457806
O        3.72723000       1.55064000       2.97312000       0.24858845       0.24813296      -0.10726202
Zn      -3.35047000      -0.50884000       6.62315000       0.80794358       0.54068433      -0.39437005
Zn       8.01393000       0.42993000       1.06280000       0.79637139      -0.74788269       0.72560060
Zn       2.71323000      -0.43005000       3.64027000      -0.82150292       0.54767672      -0.37867973
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.19842146 magmom=12.0002039 free_energy=-96.19842146 stress="-0.002657171983869208 -0.013561022766111257 0.006045720680385053 -0.013561022766111257 -0.02550953030358936 -0.008466916246241608 0.006045720680385053 -0.008466916246241608 0.01299191733281345" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47470000       1.13588000       6.06952000      -2.89427209       0.55922118       1.04716991
Cr       3.08395000       1.47603000       0.97342000      -0.10120742      -0.15048901       0.64670655
Cr      -0.25119000      -0.63376000       4.51488000      -1.50185323      -0.72554804      -2.18320722
Cr       5.32659000       0.35392000       2.76800000       2.25674389      -0.03905700       0.06259401
O        0.35428000      -0.55232000       6.29195000       1.48828005       0.16636722       1.75648961
O        4.80660000       0.08863000       0.81209000      -0.57594961       1.55826638      -0.49863369
O        2.81779000      -0.05412000       5.66990000       2.75479790      -0.77047496      -0.61382606
O        2.18572000      -0.11849000       1.35572000      -1.21437370      -1.26135899       1.08635517
O       -1.81054000       0.55470000       4.67884000      -0.68760036      -0.29597431      -0.20820211
O        6.46909000       2.00849000       2.47013000      -0.57596418       0.76926646       0.62608640
O        0.81722000       1.10048000       4.18395000       0.49633300      -0.24684864      -0.07277939
O        3.72329000       1.52079000       3.04268000      -0.07610650      -0.05114048      -0.56422772
Zn      -3.32194000      -0.38310000       6.55785000       0.91880549       0.45950329      -0.36766600
Zn       0.08378000       0.34964000       1.09449000       0.64348717      -0.37411108       0.35848838
Zn       2.75524000      -0.33966000       3.70967000      -0.93112042       0.40237797      -1.07534785
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.04934891 magmom=11.9984005 free_energy=-96.04935676 stress="-0.005758345565792444 -0.0031394775299419977 -0.00814627745815126 -0.0031394775299419977 -0.007303695365469161 -0.017665156121094736 -0.00814627745815126 -0.017665156121094736 -0.005436991893971344" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31090000       1.08926000       6.08342000       3.35084221       2.27808338      -0.34956786
Cr       3.10166000       1.42999000       1.04825000       0.28762199      -2.06945338      -0.08918882
Cr      -0.23254000      -0.61390000       4.47020000      -1.31310667      -1.09635008      -1.42825749
Cr       5.34273000       0.25183000       2.78597000       1.11454220       0.85932663      -0.63302577
O        0.33939000      -0.45703000       6.32717000      -0.38505651      -2.16770673       0.35815807
O        4.75830000       0.11949000       0.69773000      -0.52451953       0.61556543       1.14379171
O        2.99353000      -0.16405000       5.61090000      -1.64725497       0.30430962       0.70935679
O        9.51540000       2.49296000       1.47392000      -1.35952172       1.88434473       0.98649104
O       -1.88814000       0.43069000       4.68242000       0.46824724       0.61239779      -0.02854759
O        6.37170000       2.02695000       2.51632000       0.38441811      -0.00190500       0.78688958
O        0.95440000       1.21470000       4.12696000      -1.91571652      -1.57036900       0.31000087
O        3.77248000       1.46478000       2.95758000      -0.33038169       0.03807874       0.10501626
Zn      -3.21876000      -0.18709000       6.44991000       1.49786083      -0.09581543       0.31177071
Zn       0.02558000       0.21809000       1.15691000       0.91757911       0.22844541      -0.56540183
Zn       2.76109000      -0.18343000       3.73334000      -0.54555408       0.18104789      -1.61748568
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.45298535 magmom=12.0002221 free_energy=-96.45298535 stress="-0.027084939529533298 0.024445574202951195 -0.000620638902784319 0.024445574202951195 -0.016889075435696187 -0.02044428957129868 -0.000620638902784319 -0.02044428957129868 -0.022149677176215608" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30445000       1.13215000       6.08967000       1.58615618      -1.39799896       0.30327686
Cr       3.09045000       1.31104000       1.11560000      -2.06594399       0.70339150      -0.68759571
Cr      -0.29801000      -0.65913000       4.36459000       1.50323246      -1.05920897       3.31683068
Cr       5.41330000       0.21406000       2.77875000      -1.96722316       1.56999721      -1.08526584
O        0.38513000      -0.63091000       6.44905000      -1.17508441       0.49430176      -1.26807373
O        4.59368000       0.21883000       0.75735000       1.40300548      -1.20679392       0.74654764
O        2.91536000      -0.21234000       5.67862000       0.32491833       1.01252721      -0.79956222
O        2.12118000      -0.42939000       1.71558000      -0.17196463       0.89727181       0.07404869
O       -1.86373000       0.41422000       4.64065000      -0.83584820       0.59297388       0.76280125
O        6.34307000       2.01916000       2.65696000       1.16470723      -0.82469576      -2.51913960
O        0.76347000       1.05208000       4.16210000      -0.18913232      -0.48281261       0.00459219
O        3.81789000       1.44193000       2.87680000       0.22738944       0.33210808       1.90770031
Zn      -3.06267000      -0.01762000       6.35927000       0.00328370      -0.18940634      -0.32361766
Zn       0.01512000       0.11373000       1.19167000       1.41373172       0.17108986      -0.46016102
Zn       2.73346000      -0.03863000       3.68729000      -1.22122782      -0.61274476       0.02761817
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.09510505 magmom=11.9996982 free_energy=-97.09510506 stress="-0.00729145008005849 -0.013709172368919392 0.01766482049642451 -0.013709172368919392 -0.02718810409195056 0.004169868017836952 0.01766482049642451 0.004169868017836952 0.014034763594772836" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37746000       1.11629000       6.10709000      -0.41154042      -1.10703333       0.25919193
Cr       3.00274000       1.26211000       1.13441000       0.00289491       1.55694616       0.15720630
Cr      -0.30729000      -0.74853000       4.42602000      -0.99228234      -1.25503222       1.27200346
Cr       5.39683000       0.25779000       2.73062000       0.13979810       0.08860774      -0.05182909
O        0.31871000      -0.71124000       6.38541000       0.23666293       0.74136708       0.67082925
O        4.58900000       0.11584000       0.88268000      -0.05330609      -0.17241928      -0.87358419
O        2.85249000      -0.12910000       5.62604000       0.84142091       0.01917376      -0.35146531
O        2.06577000      -0.28603000       1.84502000      -0.04735337      -0.69181326      -0.84140128
O       -1.91389000       0.46183000       4.66726000      -0.04864647      -0.53669340      -0.41084871
O        6.45480000       1.92021000       2.50488000      -0.55150361       0.45492968       0.41986831
O        0.60841000       0.87970000       4.24106000       1.98054899       1.17077173      -0.23828780
O        3.86533000       1.49118000       3.02417000      -0.79785107      -0.04471585      -0.16062542
Zn      -2.95528000       0.08454000       6.29001000      -0.46644903      -0.15494172       0.00355307
Zn       0.06454000       0.06169000       1.19026000       0.92976341       0.35766744      -0.83759119
Zn       2.66642000       0.03117000       3.65998000      -0.76215683      -0.42681450       0.98298067
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.25776424 magmom=11.9998384 free_energy=-97.25776427 stress="0.005560491280637716 -0.020696300750814203 0.009937188336982629 -0.020696300750814203 -0.018671593600624835 0.004803590103666054 0.009937188336982629 0.004803590103666054 -0.0006594674434036032" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42098000       1.04496000       6.13518000       0.15963547       0.64521111       0.36457735
Cr       2.93211000       1.30928000       1.15530000       1.04670918       0.68994371      -0.04164015
Cr      -0.34235000      -0.87416000       4.55416000       0.79266951       1.11901866      -0.98413208
Cr       5.37591000       0.30046000       2.68005000      -0.36251995      -0.87446580      -0.10637256
O        0.35117000      -0.64121000       6.43307000      -0.07251826      -0.43498457       0.11102570
O        4.54615000       0.00918000       0.84217000       0.16118992       1.34486385       0.12812091
O        2.91687000      -0.09049000       5.56946000       0.52695811      -0.83611735       0.88813427
O        2.05149000      -0.28287000       1.77515000      -0.24073352      -0.79427406       0.12531306
O       -1.91945000       0.39725000       4.59310000       0.26682660      -0.63169849       0.33954131
O        6.42786000       1.90804000       2.47395000       0.11035920       1.05900939       0.64036864
O        0.73376000       0.88995000       4.31668000      -0.55224068      -0.16205670      -0.56602653
O        3.81408000       1.54025000       3.07503000      -0.48238913      -0.39643895      -0.84103227
Zn      -2.90093000       0.15929000       6.23521000      -1.15429266      -0.30737352       0.25773941
Zn       0.14996000       0.04432000       1.14954000       0.10616055      -0.01823419      -0.37410349
Zn       2.57281000       0.06200000       3.67882000      -0.30581433      -0.40240309       0.05848644
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.61833134 magmom=11.9997843 free_energy=-96.61833135 stress="-0.021732198821259947 0.020203530522020213 0.003009573524791756 0.020203530522020213 -0.016572101256066465 -0.019409754821208287 0.003009573524791756 -0.019409754821208287 -0.027734849637121854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48506000       0.99138000       6.18859000       0.55718137       0.84896541       0.08737010
Cr       2.92276000       1.41038000       1.16954000       0.81584251      -1.54782623      -1.44639421
Cr      -0.34699000      -0.96949000       4.65154000       1.40500239       0.95666121      -1.65025047
Cr       5.33893000       0.30327000       2.61798000       0.06758397       0.24271392       0.77025714
O        0.44563000      -0.63951000       6.50171000      -0.84200658      -0.89859688      -1.06850178
O        4.47486000       0.16554000       0.81795000       1.07985132       0.21023529       0.96475157
O        3.03884000      -0.23785000       5.71204000      -0.44834877       0.24901638      -0.54252089
O        2.04179000      -0.42241000       1.67962000      -0.68920625       1.45576425       1.16666487
O       -1.82706000       0.21709000       4.53652000      -1.56672479       1.05993625       1.43313756
O        6.34983000       2.06224000       2.61383000       0.88495998      -0.70431428      -1.10091627
O        0.77974000       0.90166000       4.35720000      -0.49964424      -0.46317177      -0.33169956
O        3.68652000       1.52381000       2.90753000       0.37075404      -0.11932969       1.46456388
Zn      -2.90664000       0.23614000       6.18098000      -0.93662949      -0.49148824       0.06799297
Zn       0.25928000       0.03307000       1.07610000      -0.76147659      -0.16032686       0.28422989
Zn       2.44209000       0.07120000       3.71293000       0.56286114      -0.63823877      -0.09868479
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.66098229 magmom=12.0000374 free_energy=-95.66098253 stress="-0.03575418913639911 0.02197810639779372 0.014950439264330078 0.02197810639779372 -0.00581207031054438 -0.02494892863312464 0.014950439264330078 -0.02494892863312464 -0.04965586636152219" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59971000       0.96638000       6.27347000      -1.46948229      -1.29922794      -0.44589246
Cr       2.95479000       1.47058000       1.09773000      -0.58116148      -0.75740825       0.92931304
Cr      -0.29592000      -1.02250000       4.66240000      -1.30311231       1.48976434      -1.69319370
Cr       5.31866000       0.31245000       2.60361000       0.87273789       0.63266206       3.23681831
O        0.48784000      -0.81003000       6.42168000       0.02628571       0.55951465       1.09861152
O        4.56406000       0.38903000       0.91078000       0.05948641      -1.70334875      -1.77614264
O       -4.80667000      -0.39810000       5.83953000       0.17669149       2.04726058      -1.39516490
O        2.02740000      -0.36309000       1.77425000       0.72469205       0.80673816      -0.07975732
O       -1.89033000       0.18821000       4.70593000       0.97052586       0.48562606      -1.72236161
O        6.35737000       2.13081000       2.59663000       0.35936476      -1.22211973      -0.49888918
O        0.71085000       0.81944000       4.40186000       0.66128256      -0.49439767       0.01543978
O        3.60720000       1.48838000       2.91312000       0.62313933       0.50673168       1.05560248
Zn      -2.98060000       0.32136000       6.11741000      -1.42150806      -0.32757842       1.75325654
Zn       0.35699000       0.01402000       0.98836000      -1.41050912      -0.09422541       0.41988608
Zn       2.29502000       0.04272000       3.74962000       1.71156720      -0.62999137      -0.89752594
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.31479813 magmom=11.9995483 free_energy=-95.31479813 stress="-0.02461299472108737 -0.01696795977239116 0.010764535217963906 -0.01696795977239116 -0.04121038029317373 -0.017114460961431602 0.010764535217963906 -0.017114460961431602 -0.032108960112220856" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.67093000       0.88993000       6.34098000      -2.39994006       0.80054128      -2.41053546
Cr       2.97947000       1.49021000       1.05483000       1.43725733       0.00639913       3.20313547
Cr      -0.29463000      -1.00000000       4.57089000      -0.04857541       0.85150248       0.06634168
Cr       5.35799000       0.36023000       2.76547000      -0.68005285      -1.38818816      -0.40592743
O        0.54643000      -0.92863000       6.48383000      -0.71572947       0.98054103      -0.05240751
O        4.69380000       0.28197000       0.84100000      -0.60322523      -0.26681251       2.21737838
O       -4.87300000      -0.29141000       5.72395000       0.72786608      -0.96770296      -0.91052435
O        2.17404000      -0.10542000       1.83843000      -1.01156247      -1.00852054      -1.52115231
O       -1.81535000       0.30653000       4.63703000      -1.28448076      -0.99368672       0.56243973
O        6.38695000       1.94989000       2.45688000       0.81160726       1.14262822       0.76402411
O        0.67113000       0.65224000       4.51567000       0.62141686       1.58767633      -0.65958303
O        3.69635000       1.56221000       3.14068000       0.20730233       0.08557581      -0.89713808
Zn      -3.15717000       0.42345000       6.10431000       0.54219901      -0.32395666      -0.67876501
Zn       0.41390000      -0.01390000       0.90271000      -0.42512159      -0.25071584       1.49391214
Zn       2.20270000      -0.03794000       3.75482000       2.82103896      -0.25528091      -0.77119832
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.5861598 magmom=12.0001771 free_energy=-95.5861598 stress="-0.03770444184227108 -0.0414535158781915 -0.013274255580749017 -0.0414535158781915 -0.060668098234678725 0.0010411853277243878 -0.013274255580749017 0.0010411853277243878 -0.029579929568773797" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60764000       0.85285000       6.30300000      -1.78447961       1.10007020      -0.34871195
Cr       3.08345000       1.50773000       1.18916000       0.74948229      -1.12807629       1.66877576
Cr      -0.31167000      -0.92828000       4.47900000       0.39905301       0.14550174       1.09427850
Cr       5.37422000       0.34899000       2.89759000      -0.01465927      -0.50245831      -3.45922497
O        0.53776000      -0.83296000       6.59705000       0.03066812       0.46767237      -0.77967405
O        4.70156000       0.08607000       0.99939000       0.92115344       2.25516249      -0.93316507
O        2.94797000      -0.31941000       5.47112000       0.34967819      -0.61266703       1.22714650
O        2.18305000      -0.07719000       1.67239000      -0.92496194      -1.75398426       1.37097527
O       -1.83152000       0.30260000       4.61850000      -0.21284663       0.21020382       2.43488540
O        6.50007000       1.90946000       2.49413000       0.41103021       1.14259134       0.91313529
O        0.70478000       0.75520000       4.53440000       0.37984493       0.59015991      -1.49330156
O        3.85131000       1.63796000       3.17608000      -1.45236117      -1.41194499      -0.22192761
Zn       4.53538000       0.51901000       6.07848000       0.84198841      -0.13314812      -0.37876559
Zn       0.44320000      -0.05126000       0.88362000      -0.93624036      -0.35583525       0.74532037
Zn       2.24645000      -0.13709000       3.70936000       1.24265039      -0.01324762      -1.83974628
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.3960891 magmom=11.9996067 free_energy=-96.3960891 stress="-0.020916897041767146 -0.014661567179947207 -0.022003466342179697 -0.014661567179947207 -0.024897599585545018 -0.008809898101591373 -0.022003466342179697 -0.008809898101591373 -0.03662306636374556" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46637000       0.89083000       6.23643000       0.62278157       1.64604963      -0.39124822
Cr       3.20152000       1.46895000       1.35203000      -1.17989052      -1.44467066      -2.59949671
Cr      -0.30772000      -0.85987000       4.47732000       0.40940769       0.42001320       3.14818492
Cr       5.39567000       0.30835000       2.86177000       2.03536082       0.14199396       0.46158026
O        0.55264000      -0.67144000       6.62686000      -1.02937667      -1.46233739      -0.01507070
O        4.75567000       0.21564000       1.02001000      -0.09424897      -0.02964411      -0.68502900
O       -4.91939000      -0.44594000       5.47290000      -0.01220319       1.18924740       0.43681755
O        2.13801000      -0.32676000       1.73589000       0.89898888       0.57869848      -0.25054728
O       -1.88089000       0.32407000       4.83996000       0.25143531       0.55915593      -1.31378059
O        6.58417000       2.03907000       2.68553000      -1.71096587      -0.21856906      -1.56839091
O        0.75924000       0.92531000       4.35052000      -0.26462690      -1.09592667      -0.17332270
O        3.83661000       1.51287000       3.12276000       0.05297643       0.03591336       1.29394428
Zn       4.44140000       0.59028000       6.04621000       0.46740949      -0.00057260       0.57380060
Zn       0.42191000      -0.09146000       0.90204000      -0.68249700      -0.25160955       0.21260707
Zn       2.33778000      -0.21678000       3.60515000       0.23544892      -0.06774191       0.86995143
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.8529206 magmom=11.9999233 free_energy=-96.8529206 stress="-0.03985260521909122 0.011504323880844387 -0.008108702643228584 0.011504323880844387 -0.030206518402343674 -0.012207610357111511 -0.008108702643228584 -0.012207610357111511 0.010936775317099922" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38358000       0.98435000       6.17712000       0.90831817      -0.47696988       0.83347819
Cr       3.23116000       1.36831000       1.34121000      -0.41049834      -0.00579180      -1.54766469
Cr      -0.29457000      -0.79728000       4.59950000      -0.50008352      -0.19062719       0.08703837
Cr       5.49541000       0.29203000       2.84330000      -1.38618050       0.86745206       0.33337105
O        0.47844000      -0.71852000       6.61716000      -0.68476333       0.21246405      -0.81201007
O        4.76035000       0.28522000       0.94648000       0.39574706      -1.51828009      -0.21019358
O       -4.96619000      -0.35986000       5.56603000      -0.54736085       0.83434114      -0.59336480
O        2.25119000      -0.41373000       1.71045000      -0.91870938       0.87620981      -0.52286723
O       -1.84492000       0.43468000       4.77598000      -0.45840519      -0.17107715       0.30356123
O        6.40324000       2.07628000       2.68994000       1.87784084      -0.94054957      -0.57866089
O        0.71834000       0.87555000       4.24797000       0.38837294       0.18994679       0.62302089
O        3.85741000       1.42920000       3.20647000      -0.23247588       0.47833740      -0.13476104
Zn       4.40382000       0.64207000       6.04733000       1.11266274       0.18327587       0.31930000
Zn       0.37740000      -0.12805000       0.92855000       0.03103062      -0.37425440       0.48103654
Zn       2.41350000      -0.27192000       3.57381000       0.42450462       0.03552297       1.41871602
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.83756626 magmom=11.9999588 free_energy=-96.83756626 stress="-0.027731776767416928 -0.002901236879663748 -0.011233755352773152 -0.002901236879663748 -0.037696482651109225 0.0008316573483232294 -0.011233755352773152 0.0008316573483232294 0.007709868743329999" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35731000       1.05864000       6.16806000       0.29210487      -0.41801386       0.51777838
Cr       3.22891000       1.27315000       1.21789000      -0.56447484       0.99974459       0.06200710
Cr      -0.31956000      -0.75438000       4.71562000      -0.38913347      -0.59537575      -2.66030465
Cr       5.53648000       0.31641000       2.84228000      -1.27555738      -0.86291930      -0.83361109
O        0.35129000      -0.72989000       6.48920000       0.43649071       0.77132610       1.50013016
O        4.75364000       0.06104000       0.87271000       0.20719445       0.42465376       0.18577310
O        2.73335000      -0.14279000       5.56666000       1.39727202      -0.46870096       0.07701691
O        2.23999000      -0.34355000       1.56859000      -0.43796658      -0.72576931       1.27335074
O       -1.84936000       0.49777000       4.71109000      -0.86633817      -0.74110901       1.20990979
O        6.47007000       1.96901000       2.60050000       0.94807360       1.07825399       0.12693782
O        0.71221000       0.85633000       4.32308000       0.18926327       1.07369124      -0.31690741
O        3.86465000       1.45484000       3.21360000      -0.47577300       0.09153557      -0.99151400
Zn       4.42255000       0.70106000       6.06826000       0.56766301      -0.14714651       0.14729114
Zn       0.33683000      -0.17822000       0.97903000      -0.13342701      -0.45388852       0.33575606
Zn       2.50439000      -0.32106000       3.61769000       0.10460852      -0.02628204      -0.63361406
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.56086859 magmom=12.002176 free_energy=-96.56090347 stress="-0.004706665683484177 -0.0016901507392161794 -0.009837845076112598 -0.0016901507392161794 -0.011663638888120269 0.005712667749096143 -0.009837845076112598 0.005712667749096143 -0.031034068968733765" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35492000       1.12324000       6.19630000       0.49268956       0.34684502      -0.34008657
Cr       3.18042000       1.20933000       1.08150000      -1.46943520       0.38642566       2.33672037
Cr      -0.38262000      -0.74522000       4.69707000       1.09566537      -0.07491408      -1.36558425
Cr       5.50814000       0.31737000       2.79517000      -0.08998049      -0.62191633      -0.98647470
O        0.32543000      -0.56755000       6.52492000      -0.10754311      -0.35872226      -0.79071887
O        4.73560000      -0.10185000       0.81841000       0.78844821       2.25670519       0.51327714
O        2.76895000      -0.01178000       5.58812000       1.01912552      -0.88474820      -0.32176899
O        2.17424000      -0.36942000       1.64599000       0.42584704      -0.62422297       0.45326444
O       -1.96426000       0.42924000       4.78588000       0.06271289       0.35900276      -0.88265705
O        6.67974000       1.96005000       2.59275000      -2.31103957       0.20306436       1.56756366
O        0.69374000       1.03566000       4.40988000      -0.73769177      -0.35425729      -0.78982495
O        3.81301000       1.50546000       2.96232000       0.73660371      -0.43176898       0.76943625
Zn       4.48163000       0.77230000       6.11006000       0.05067180      -0.09418312       0.88326808
Zn       0.28462000      -0.25903000       1.05786000       0.48129460      -0.01934478      -0.53694692
Zn       2.62275000      -0.38305000       3.63948000      -0.43736857      -0.08796499      -0.50946763
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.22481957 magmom=11.9988087 free_energy=-96.22481957 stress="-0.01796405955894473 0.02861130350105281 -0.009911776962561455 0.02861130350105281 -0.012359216613779214 -0.0024767384934244077 -0.009911776962561455 -0.0024767384934244077 -0.06395130999280152" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38939000       1.21612000       6.19732000       0.68964775      -0.17093049      -1.29301801
Cr       3.04007000       1.17539000       1.06163000       0.54886789       1.24042145       1.24717143
Cr      -0.42000000      -0.73797000       4.58263000      -0.10061438       1.42487798       2.83151880
Cr       5.46570000       0.27908000       2.68422000      -0.55376221       0.24473311       0.38489321
O        0.35804000      -0.42742000       6.47586000      -0.37200852      -1.12788569      -0.22311792
O        4.74383000       0.13477000       0.81844000      -0.36151513      -0.28460967      -0.48887153
O        2.96877000      -0.05867000       5.58180000      -0.82178837       0.21281755      -0.39885104
O        9.49886000       2.39679000       1.80761000      -0.75830807       0.54113695      -1.09340853
O       -2.05443000       0.40218000       4.68526000      -0.12170110       0.59474591       0.37164988
O        6.45619000       2.01379000       2.82567000       0.15330929      -0.06180554      -3.90148010
O        0.55844000       1.17781000       4.41982000       1.98588070      -1.78981459      -0.88281934
O        3.90341000       1.46791000       2.75799000      -0.85724248      -0.21964053       2.06587746
Zn       4.56740000       0.86198000       6.20576000       0.30478562      -0.09852454      -0.04543520
Zn       7.53903000       2.55032000       1.14505000       0.49963419      -0.35596854       0.52301707
Zn       2.75252000      -0.46700000       3.63998000      -0.23518517      -0.14955335       0.90287383
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.57627175 magmom=12.0006483 free_energy=-96.57627175 stress="-0.023506704074357693 0.034335499985345935 0.012864648754959539 0.034335499985345935 -0.014395462629134877 0.0048745654683816 0.012864648754959539 0.0048745654683816 -0.020690385891068423" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.85144000      -1.63351000       6.12568000      -0.62828215      -1.85620782      -0.76309289
Cr       2.94084000       1.20985000       1.12363000       1.20971520       0.45087183      -1.11887813
Cr      -0.43864000      -0.68013000       4.57155000       0.79911026      -0.22325068      -0.41357806
Cr       5.38737000       0.26365000       2.59506000      -0.87686416       0.87763235       0.87593437
O        0.38825000      -0.50168000       6.39003000      -0.29320007      -0.05917613       0.81901761
O        4.64852000       0.33290000       0.74866000       0.03233912      -1.24763072       0.53319772
O        2.98954000      -0.07506000       5.53242000       0.12351754       1.16995837       0.49034360
O        9.44381000       2.38294000       1.76312000      -0.68011979       1.15091457       0.18165435
O       -2.08507000       0.49170000       4.60635000       0.50390851       0.09511459       0.74929766
O        6.29148000       2.02184000       2.59605000       1.59178428      -0.58934518       0.16275233
O        0.63854000       1.03912000       4.32175000      -0.09938157       0.22490724      -0.53973040
O        3.83936000       1.40359000       2.88514000      -1.15100934       0.44079629       0.20461706
Zn       4.65733000       0.94114000       6.29461000      -0.18337490      -0.40012022      -0.58642220
Zn       7.52266000       2.44529000       1.23950000       0.72937703      -0.08916730      -0.82602234
Zn       2.85647000      -0.55051000       3.67347000      -1.07751995       0.05470282       0.23090932
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.41376903 magmom=11.9998949 free_energy=-96.41376908 stress="-0.03926646889191707 0.014896486879257303 0.01746397542989288 0.014896486879257303 -0.01981052063046057 0.011817460125305058 0.01746397542989288 0.011817460125305058 0.00039766500879401674" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45901000       1.24381000       6.02870000      -0.87518183      -0.98041885       1.34836067
Cr       2.91386000       1.27452000       1.12178000       0.47054854       1.43767970      -1.27242651
Cr      -0.41148000      -0.64182000       4.56468000       0.59329831      -0.92701276      -0.75116680
Cr       5.29062000       0.29969000       2.57208000       0.42230424      -0.91049032       1.23023184
O        0.40964000      -0.59582000       6.42515000      -0.50001221       0.69176917      -0.88195685
O        4.53493000       0.25743000       0.75445000       0.39875838      -1.01106728       0.41279792
O        2.95575000       0.06397000       5.59263000       0.38282907      -0.44393298      -0.23695561
O        2.07535000      -0.34588000       1.70278000       0.47462708      -0.59001901       0.65511056
O        5.87640000       0.58333000       4.64769000      -0.36313420      -0.55966800       0.21934180
O        6.26019000       1.91225000       2.47744000      -0.18789768       1.34113754       1.11967434
O        0.69358000       0.94454000       4.20201000      -0.01705440       1.25471383       0.17006196
O        3.68056000       1.38296000       2.96281000       1.39982710      -0.13622003      -0.78261334
Zn       4.72608000       0.99229000       6.33932000      -0.25084729      -0.31386241      -0.50093902
Zn       7.55862000       2.36378000       1.26351000       0.39013044      -0.03972137      -1.41284291
Zn       2.87573000      -0.60679000       3.72630000      -2.33819555       1.18711279       0.68332193
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.22253786 magmom=11.999916 free_energy=-96.22253786 stress="-0.05269201660042099 0.005485396850699071 0.009971198657251061 0.005485396850699071 -0.048420997506044755 0.012976543659474175 0.009971198657251061 0.012976543659474175 -0.0044276187830389795" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40419000       1.13883000       6.00955000      -0.27356220       0.72391727       2.18688204
Cr       2.91939000       1.41214000       1.03602000      -0.59255149      -2.21230009       0.64515936
Cr      -0.35338000      -0.66005000       4.50838000      -0.35937568      -0.23431737      -1.01297896
Cr       5.23170000       0.29228000       2.62481000       0.85078958      -0.51054694       1.15605185
O        0.39055000      -0.55775000       6.31367000      -0.02066622       0.09800148       0.27981723
O        4.46742000       0.00729000       0.82718000       1.84084074       2.99842599      -1.60755878
O        2.95763000       0.10668000       5.65787000       0.64883044      -1.15841935      -0.47163428
O        2.14580000      -0.23617000       1.73571000      -1.04224131      -1.00903936       0.28387911
O       -1.86815000       0.56688000       4.74778000      -1.20737060      -0.19049135       0.16206503
O        6.14082000       2.01473000       2.63766000       2.54159237       0.04350131      -1.19398664
O        0.70779000       1.07394000       4.17142000      -0.19799196      -0.23829385      -0.05904182
O        3.71982000       1.37715000       2.86482000      -1.43794757       1.58782429       1.14037178
Zn       4.78691000       1.03565000       6.35227000      -0.42874550      -0.21007652      -0.69020719
Zn       7.63042000       2.27978000       1.20548000      -0.42411472      -0.41069315       0.41768065
Zn       2.77438000      -0.60842000       3.81087000       0.10251411       0.72250765      -1.23649937
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.81222784 magmom=12.0002841 free_energy=-95.81251687 stress="-0.02285276114671914 -8.122806082079613e-06 0.007983093351851262 -8.122806082079613e-06 -0.022858317363109035 0.008430218719117139 0.007983093351851262 0.008430218719117139 -0.02064864699715883" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33874000       1.05691000       6.11061000       2.73765372       2.36960729      -1.43738310
Cr      10.76949000       1.48227000       0.97133000       0.97574284      -1.26400606       1.56999288
Cr      -0.32493000      -0.70321000       4.39579000      -0.94755868       1.07992357       1.69946916
Cr       5.22385000       0.25502000       2.75539000       1.50761177       2.46506167      -0.49450811
O        0.37288000      -0.50942000       6.24159000      -1.04358987      -1.75454747       1.65144127
O        4.63236000       0.18144000       0.68853000      -0.90481397       0.28985278       1.78767107
O        3.02229000      -0.06379000       5.67720000      -0.74324060       0.21654427       0.25253867
O        2.14372000      -0.30262000       1.78636000      -0.16882961       0.89393942      -0.55132527
O       -1.89297000       0.50122000       4.84429000      -0.52069553       0.20063003      -1.84978555
O        6.39462000       2.19920000       2.60719000      -1.63320745      -1.18606836      -1.01467244
O        0.64813000       1.14746000       4.19944000       0.63977521      -2.12049081      -0.30629922
O        3.61507000       1.61437000       2.87726000       1.03131895      -1.59454102       0.15808160
Zn       4.83250000       1.08414000       6.32945000      -1.00426142      -0.07573918      -0.02811612
Zn       7.68990000       2.15576000       1.14795000      -0.35619931      -0.35914936      -0.34658768
Zn       2.64545000      -0.56113000       3.85637000       0.43029395       0.83898325      -1.09051715
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.31884113 magmom=11.9999304 free_energy=-96.31884113 stress="0.0021997236972789063 -0.0018625837571577678 -0.0017961611239608972 -0.0018625837571577678 -0.006938533383697219 0.012588360851208347 -0.0017961611239608972 0.012588360851208347 -0.007614370096043784" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40683000       1.07509000       6.16845000      -0.55448656      -0.50050740       0.14667139
Cr       2.93785000       1.46340000       1.02486000       1.67833297       0.13062011       1.80210941
Cr      -0.35474000      -0.71163000       4.35900000      -0.36612294      -1.22562156       1.73814482
Cr       5.29514000       0.34226000       2.85475000      -0.49350678       1.28515410      -4.15880122
O        0.28735000      -0.68242000       6.42966000       0.19219539       0.41400816      -1.51768883
O        4.64431000       0.49034000       0.75773000      -0.39601872      -1.58190505       0.76653404
O        2.92895000      -0.19708000       5.74602000       0.19898845       0.88592569      -0.68310581
O        2.15504000      -0.23876000       1.70459000      -0.79263970       0.23068787       0.52838739
O       -1.98849000       0.49051000       4.61540000       0.45097844       0.23687494       1.58090155
O        6.39599000       2.15603000       2.48453000      -0.69838677      -0.69366158       0.73558103
O        0.62549000       0.87871000       4.22706000       1.50358862       1.62862349      -0.19808245
O        3.70650000       1.63474000       2.91108000      -0.40818429      -0.62993937       1.08311266
Zn       4.83061000       1.13614000       6.29432000      -0.54010480      -0.13957432      -0.00819619
Zn       7.73383000       2.00582000       1.07402000      -0.30209113      -0.27413745      -0.45247359
Zn       2.53825000      -0.46763000       3.83833000       0.52745783       0.23345237      -1.36309422
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.64235877 magmom=11.9989178 free_energy=-96.64235877 stress="-0.010720340514907606 -0.0005420984919667104 0.006048272933330772 -0.0005420984919667104 -0.028797232334449006 0.019500939668186675 0.006048272933330772 0.019500939668186675 0.016333994498641983" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44823000       1.08144000       6.21608000      -1.71082324      -0.51718316      -0.06716767
Cr       3.02493000       1.45394000       1.16481000      -0.86502506       1.72670989       0.20156183
Cr      -0.39799000      -0.75907000       4.42546000       1.51543639       0.36593296       1.15288329
Cr       5.33139000       0.46807000       2.73838000      -1.72820314      -2.67583419      -0.34483728
O        0.30387000      -0.76005000       6.44913000       0.22906833       0.90357480      -0.37295274
O        4.56798000       0.44260000       0.91214000       1.31310640      -2.07716720      -1.01028051
O        2.83723000      -0.16461000       5.73453000       1.66128322       0.47196736      -0.23475690
O        2.12618000      -0.15044000       1.67674000      -0.97214627      -1.41080632       0.58439451
O       -1.97008000       0.51616000       4.61014000       0.01736487      -0.41110348       1.21509441
O        6.26858000       2.02903000       2.52408000       2.28853615       1.91308871      -0.59563360
O        0.79363000       0.83545000       4.25150000      -0.71691056       0.80861464       0.02357188
O        3.75257000       1.56354000       3.06005000      -1.00782616       0.83556209       0.13160347
Zn       4.79940000       1.18045000       6.26649000      -0.55640377      -0.33672037      -0.19650118
Zn       7.75451000       1.86161000       0.98575000      -0.10533922       0.12199803       0.29839474
Zn       2.47057000      -0.37365000       3.76123000       0.63788207       0.28136626      -0.78537425
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.8640191 magmom=11.9988562 free_energy=-96.8640191 stress="0.013647257840450944 -0.005011651940090525 -0.005444388537915682 -0.005011651940090525 -0.002142536132056384 0.014748710574868477 -0.005444388537915682 0.014748710574868477 0.015885700258996067" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41513000       1.06857000       6.23394000       0.83433063       0.47637464      -1.62464479
Cr       3.04507000       1.49165000       1.28176000      -2.02633823      -2.17212863      -1.64374095
Cr      -0.37019000      -0.78312000       4.53968000       1.63289717       1.02999700      -0.12321880
Cr       5.30263000       0.46889000       2.61422000       1.75326722      -0.63948130       3.09308740
O        0.40850000      -0.65182000       6.42962000      -0.58937662       0.25201177       0.97390181
O        4.61599000       0.10546000       0.88090000       0.17165506       1.79666206       0.06801005
O        2.93844000      -0.07018000       5.72299000       0.37893455      -0.16550431      -0.01328398
O        2.06119000      -0.25097000       1.72029000       0.48634950       0.03926857      -0.20345450
O       -1.89241000       0.48705000       4.79461000      -0.73238116      -0.21220023      -0.82550452
O        6.40723000       2.12375000       2.53521000      -0.64333619      -0.22313238      -0.18203842
O        0.81267000       0.95769000       4.31668000      -0.92751365      -0.09617234      -0.19952373
O        3.67882000       1.62095000       3.13529000       0.80112866       0.04685263      -0.75782583
Zn       4.74681000       1.20428000       6.24553000      -1.01601733      -0.59499011      -0.11719115
Zn       7.76014000       1.74869000       0.92061000      -0.18805217       0.21842865       0.44274368
Zn       2.44285000      -0.28834000       3.67038000       0.06445257       0.24401395       1.11268372
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.9158272 magmom=11.9991549 free_energy=-96.9158272 stress="-0.006222230134042411 0.011781205982505871 -0.004240021107415725 0.011781205982505871 -0.01003887164572961 0.008144625049817729 -0.004240021107415725 0.008144625049817729 0.015551954850994167" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43753000       1.08879000       6.17306000       1.27201768       1.50217717       1.55790871
Cr       2.96373000       1.42245000       1.28361000       1.96778164      -0.98012831      -2.36293032
Cr      -0.28362000      -0.74575000       4.64189000      -2.01623055       0.77794149      -0.73496274
Cr       5.38199000       0.41950000       2.67028000       0.55710463       0.26740730       1.24054963
O        0.45157000      -0.51610000       6.54184000      -0.83484406      -1.25319486      -0.71532148
O        4.63129000       0.09218000       0.86809000      -0.25751930       1.16614591       0.42473112
O        3.03029000      -0.01454000       5.71640000      -0.72918336      -0.34497061      -0.94248731
O        2.09927000      -0.34400000       1.71167000      -1.35253642       0.66626963       0.41894576
O       -1.88020000       0.45630000       4.78436000      -0.40575087       0.61798163      -0.27666716
O        6.41118000       2.17083000       2.54867000       0.39359856      -0.85895395       0.09248491
O        0.66558000       1.04510000       4.37759000       1.70499435      -0.75144841      -1.03699518
O        3.74980000       1.66802000       3.02496000      -0.20232904      -0.78612829       0.84820463
Zn       4.65025000       1.19997000       6.21905000      -0.36678600      -0.62886427      -0.38564413
Zn       7.75407000       1.65454000       0.88802000      -0.37299395       0.50105445       0.70672499
Zn       2.42901000      -0.19910000       3.64126000       0.64267669       0.10471111       1.16545856
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.80717111 magmom=12.0001494 free_energy=-96.80717111 stress="0.00930839135734816 0.015996927677800254 -0.002738445289389658 0.015996927677800254 -0.002025482832460515 0.014215461693997029 -0.002738445289389658 0.014215461693997029 0.006244951249509583" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53928000       1.19462000       6.18905000      -1.51690258      -0.01128197       0.99557522
Cr       2.95599000       1.28258000       1.14830000       0.74355805       2.13122180       1.64295496
Cr      -0.29306000      -0.65793000       4.71030000      -0.28234345      -0.39385677      -1.97546385
Cr       5.52677000       0.36597000       2.82426000      -3.10802771      -0.28746710      -1.65828158
O        0.41385000      -0.55525000       6.52549000       0.47381449       0.24974411      -0.86220949
O        4.58450000       0.34842000       0.92223000       1.14290864      -1.59146749      -1.08979222
O        2.94038000      -0.01268000       5.54585000       0.79938763      -0.01207914       0.86170539
O        2.00413000      -0.35156000       1.72128000      -0.00331796      -0.41387164      -0.28294253
O       -1.89519000       0.56297000       4.69340000      -0.03802011      -0.13678477       1.83800282
O        6.42620000       2.03329000       2.61079000       1.74432206       0.46911610      -0.12885316
O        0.74736000       1.02435000       4.33176000       0.09887041       0.30404423       0.41044176
O        3.82167000       1.56234000       2.96964000      -0.77479395      -0.32885557       0.91750143
Zn       4.50677000       1.16067000       6.16546000       0.31516305      -0.58055884      -0.14101519
Zn       7.72534000       1.56214000       0.89067000      -0.10060637       0.63217605       0.74101609
Zn       2.44719000      -0.08083000       3.67217000       0.50598780      -0.03007900      -1.26863964
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.14833376 magmom=11.9996275 free_energy=-96.14833376 stress="0.00829003992916085 0.00593604389586659 -0.001110938448915357 0.00593604389586659 0.0034503190586065006 0.01996844848729926 -0.001110938448915357 0.01996844848729926 -0.005486857682151494" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.72624000      -1.60809000       6.25507000      -1.40805413      -1.97418731      -2.14082563
Cr       3.00383000       1.24280000       1.07905000      -0.37104222       1.76516110       1.42485430
Cr      -0.33190000      -0.58053000       4.67677000       1.98600660      -0.62593213      -0.95133186
Cr       5.53245000       0.30566000       2.90588000      -1.35450136      -0.15308786      -1.64470254
O        0.48358000      -0.56677000       6.41075000      -0.21420152       0.80449958       1.63221454
O        4.67848000       0.33922000       0.82245000       0.46370025      -1.37802688       1.75152236
O        2.92764000      -0.01717000       5.56334000       0.83055650       0.45020251       0.35500714
O        1.97160000      -0.37539000       1.65160000       1.24657927      -0.17008719      -0.33668543
O       -1.89337000       0.65292000       4.82682000      -0.48933802      -0.75800112      -0.01564176
O        6.62148000       1.93210000       2.68141000      -1.34641513       0.62877943      -0.04241591
O        0.84937000       1.03764000       4.37897000      -0.83654426       0.62829322      -0.14149448
O        3.78989000       1.38899000       3.02758000       0.74287417       0.93019036      -0.19175733
Zn       4.36956000       1.09393000       6.10812000       1.44855673       0.16788322       1.15701845
Zn       7.68824000       1.49041000       0.92765000       0.10630433       0.42290580      -0.03271735
Zn       2.48836000       0.04114000       3.64647000      -0.80448121      -0.73859276      -0.82304452
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.08089061 magmom=11.999744 free_energy=-96.08089061 stress="-0.029207312691052846 -0.003835808555820365 0.0034449481026904774 -0.003835808555820365 -0.02238112835031577 0.013543717170935268 0.0034449481026904774 0.013543717170935268 0.015484251098117137" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.78201000      -1.60275000       6.23038000      -0.48836534      -1.99573344       1.16855284
Cr       3.05231000       1.31340000       1.10832000       2.71204228       0.08306248       0.49776470
Cr      -0.27456000      -0.54744000       4.59501000      -0.23894746      -1.09875395       1.77780988
Cr       5.44800000       0.24293000       2.88488000       0.76199441       0.09532682      -0.63732460
O        0.55537000      -0.42297000       6.53864000      -1.09196845      -0.22289492      -1.35125012
O        4.82894000       0.02264000       0.91634000      -0.55243572       0.85875939       0.51995260
O        2.94388000      -0.02387000       5.69896000      -0.64077217       0.27022809      -1.99569517
O        9.51580000       2.50135000       1.49457000      -1.82045252       0.28001878       1.45622968
O       -1.88349000       0.60412000       4.94357000       0.02639753       0.06735046      -1.14002346
O        6.54128000       1.94663000       2.75502000      -0.52507079       0.23793172      -0.91047606
O        0.77751000       1.17308000       4.43962000       0.62280700      -0.12346255      -1.66097692
O        3.89608000       1.39242000       3.03640000      -1.08373649       0.53057985       0.43531471
Zn       4.31900000       1.04688000       6.11580000       3.04584870       1.14082282       1.59522873
Zn       7.65344000       1.43387000       0.97302000       0.10360986       0.56587423      -0.24883489
Zn       2.49167000       0.13534000       3.55889000      -0.83095085      -0.68910979       0.49372810
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.61998535 magmom=11.9964926 free_energy=-95.61998535 stress="-0.040191965863193305 -0.01049037888320184 0.004313210809772915 -0.01049037888320184 -0.044448085439195546 0.015490136610287007 0.004313210809772915 0.015490136610287007 0.006906271497380222" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42303000       1.21258000       6.22329000       1.26755395       1.41228661      -1.18096676
Cr       3.22309000       1.39448000       1.17617000      -2.05849246      -2.71356857       0.51677794
Cr      -0.23267000      -0.58173000       4.58537000      -1.74550919      -0.35422162      -0.08158021
Cr       5.39497000       0.20694000       2.83211000       0.70413894       2.28999026       2.71679923
O        0.46424000      -0.35506000       6.53657000      -0.63522278      -1.89893907      -0.35977177
O        4.89330000      -0.11959000       1.07932000       0.56415623       3.49741435      -3.56220085
O        2.80243000      -0.00901000       5.51041000       1.38645120       0.71092846       0.65754549
O        2.26744000      -0.38932000       1.55939000      -0.98126282       0.17593904       0.50409745
O       -1.82719000       0.55184000       4.82711000      -0.51867397       0.50312332       0.27879029
O        6.33094000       2.00395000       2.70854000       2.55441975      -0.73551016      -0.80580933
O        0.78193000       1.26381000       4.27748000       0.25892853      -1.49301324       0.15571469
O        3.86559000       1.48222000       3.08263000      -0.94571715      -0.86519586       0.35556717
Zn       4.42133000       1.05161000       6.20987000       0.57973425      -0.61823895      -0.17274980
Zn       7.61954000       1.39711000       1.01537000       0.30688465       0.82312160       0.17064011
Zn       2.44417000       0.20066000       3.48290000      -0.73738912      -0.73411617       0.80714635
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.37523079 magmom=11.9972882 free_energy=-96.37523079 stress="0.011366115235726702 0.018082567211306546 -0.0082557422061217 0.018082567211306546 0.006945021413709048 0.004318640385942649 -0.0082557422061217 0.004318640385942649 0.00969201076735622" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38513000       1.16220000       6.14523000       0.76011095       0.76946732      -1.16347323
Cr       3.30826000       1.37043000       1.25429000      -2.26246677       0.59926957      -2.20998015
Cr      -0.28977000      -0.65181000       4.57283000       0.53759972      -0.08436509      -1.07103761
Cr       5.40357000       0.27817000       2.88888000       0.52125615       0.68898413      -0.72663727
O        0.34708000      -0.57761000       6.44948000       0.77261293       0.55677233       0.74419032
O        4.92763000       0.25984000       0.78896000      -1.29579972      -0.63698547       1.23000084
O        2.86419000       0.13283000       5.44651000       0.66963429      -0.90458066       0.98109790
O        2.16604000      -0.33479000       1.68434000       1.06295918      -0.34511464      -1.32549384
O       -1.82636000       0.57745000       4.70646000      -1.00242548      -0.41930052       1.02807412
O        6.44489000       1.97735000       2.55714000      -0.33808865       0.29686648       0.74997191
O        0.76016000       1.10171000       4.19424000      -1.11725934      -0.11309701       1.01472074
O        3.77277000       1.50721000       3.12583000       1.77798817       0.50799972      -0.39267962
Zn       4.56293000       1.03489000       6.30670000      -0.31496800      -0.74086234      -0.44744381
Zn       7.60239000       1.39840000       1.06181000       0.67582622       0.65545444      -0.25740446
Zn       2.35062000       0.22171000       3.45821000      -0.44697964      -0.83050826       1.84609415
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.02861503 magmom=11.9995261 free_energy=-96.02861503 stress="-0.03923140420599502 0.03206858985643239 0.0024394455512953645 0.03206858985643239 -0.025342974490368996 0.004066599003764468 0.0024394455512953645 0.004066599003764468 0.006617933648729473" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40591000       1.16170000       6.03802000       0.72994917       0.46359907       1.87812465
Cr       3.24683000       1.37602000       1.21883000      -1.59923669       1.88262785      -2.06278649
Cr      -0.33923000      -0.72440000       4.52913000      -0.77261346      -0.25085725       1.28490614
Cr       5.44328000       0.38209000       2.91627000       0.09693088      -0.41840742      -2.30952549
O        0.40950000      -0.65530000       6.42360000      -0.40266018       1.17357084      -0.06842111
O        4.73213000       0.47273000       0.66493000       1.89926884      -2.35502141       1.35913079
O        2.97142000       0.10652000       5.57178000      -0.36334270      -0.90508597      -1.02498561
O        2.26988000      -0.33420000       1.59841000      -0.63379550       0.16096101       1.25264907
O       -1.93025000       0.53855000       4.74577000       0.02939394      -0.44913261       1.00145236
O        6.49702000       1.99983000       2.58355000       0.02183744       0.76349969       0.38127429
O        0.57602000       0.94041000       4.29475000       1.56006034       0.67727018      -1.51939914
O        3.97885000       1.60045000       3.03236000      -1.77578811      -0.58595546       0.37170955
Zn       4.66422000       0.99187000       6.36531000      -0.42490389      -0.55069637      -0.41419931
Zn       7.62265000       1.42697000       1.08579000       0.57145265       0.48366466      -0.45412784
Zn       2.25736000       0.20107000       3.51128000       1.06344728      -0.09003681       0.32419813
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.85305793 magmom=12.0000674 free_energy=-96.85305793 stress="-0.004464452449960504 0.018857172129321337 0.010535254809530175 0.018857172129321337 -0.011955532281101178 0.009773747598551902 0.010535254809530175 0.009773747598551902 0.014581859257398546" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46938000       1.18719000       6.05233000       0.18077054      -0.29066052       0.78478359
Cr       3.12650000       1.46503000       1.07004000       1.50243983      -0.23629236       0.87549772
Cr      -0.41037000      -0.79583000       4.57124000       1.12925269       0.90138143       1.58674039
Cr       5.46631000       0.44880000       2.82562000      -1.79801361      -1.34248443      -1.04736599
O        0.47032000      -0.50406000       6.37961000      -0.68689164      -0.59119426       0.25876256
O        4.74015000       0.25488000       0.78533000       0.16788725       0.18458616      -0.10746936
O        2.94270000      -0.07748000       5.53054000       0.36908223       0.85907090      -0.28096777
O        2.28511000      -0.28040000       1.68910000      -1.72331164       0.07360312      -0.24609352
O       -1.98481000       0.42732000       4.86222000       0.26635656       0.30259120      -0.65334612
O        6.50122000       2.13481000       2.70156000       0.02921334      -0.41464669      -1.43506905
O        0.60514000       0.92998000       4.21705000      -0.09276014       0.67129115       0.34168310
O        3.92588000       1.60154000       2.93931000      -0.85037023       0.06879081       0.31276300
Zn       4.72625000       0.92971000       6.39680000      -0.87537961      -0.46199411      -0.47482049
Zn       7.67344000       1.47340000       1.08443000       0.49800018       0.54904517       0.43216236
Zn       2.23263000       0.17415000       3.58029000       1.88372424      -0.27308758      -0.34726040
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.45026989 magmom=11.9998825 free_energy=-96.45026989 stress="0.014820419329389331 -0.0052419726645408305 0.0013868181267621704 -0.0052419726645408305 -0.006341100805058009 0.015737665930619975 0.0013868181267621704 0.015737665930619975 0.0010025709582492492" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54817000       1.19800000       6.11819000      -0.88434559      -0.45374206      -0.86230932
Cr      10.91330000       1.54558000       0.98357000      -1.14896105      -1.97492998       3.30320946
Cr      -0.43186000      -0.81817000       4.69078000       1.14157089       1.30945428      -1.85061004
Cr       5.38850000       0.43929000       2.67221000      -0.55330481      -0.69164596       1.28626997
O        0.46147000      -0.44471000       6.39547000      -0.05980149      -0.90324257       0.08595245
O        4.78585000       0.06422000       0.84788000       0.32930764       2.45480465      -1.60911975
O        2.91652000      -0.11671000       5.46826000       1.20297733       1.43434339       0.91531994
O        2.06452000      -0.22061000       1.68432000       0.32140000      -0.15622469      -1.04765914
O       -1.94634000       0.39406000       4.81205000      -0.93062299       0.67530081      -0.03385886
O        6.45856000       2.17096000       2.64683000      -0.32533128      -0.89693081      -0.29653539
O        0.63079000       1.06742000       4.24700000       0.39726639      -0.45869969       0.77926908
O        3.73693000       1.59241000       2.85738000       0.40454322      -0.07564888       0.48729721
Zn       4.74495000       0.84796000       6.40872000      -0.69713306      -0.29253217      -0.64316837
Zn       7.75221000       1.54324000       1.09845000       0.24278980       0.19014151       0.60569349
Zn       2.30178000       0.13374000       3.63329000       0.55964500      -0.16044783      -1.11975072
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.28281661 magmom=12.0003235 free_energy=-96.28281662 stress="0.0008603447098808148 0.0007551959030558337 -0.020187185495098695 0.0007551959030558337 -0.002982987978949293 0.0053734739030839316 -0.020187185495098695 0.0053734739030839316 -0.029008669947257794" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.58613000       1.19252000       6.13345000      -0.90992269       0.97948897       0.20137218
Cr      10.78978000       1.54093000       1.07050000       1.32188641      -0.27518499      -1.54939216
Cr      -0.40547000      -0.75930000       4.72190000      -0.36358856       1.17393356      -1.83954699
Cr       5.27476000       0.37934000       2.57174000       1.35123601      -0.28129753       1.60578869
O        0.46639000      -0.56062000       6.46408000      -0.14802981       0.48469361      -0.43319797
O        4.76866000       0.26581000       0.68870000      -1.29471815      -0.14107996       2.38592073
O        3.04346000       0.07991000       5.60944000      -0.14065741      -1.02703081      -0.60250464
O        1.98755000      -0.16509000       1.46931000       1.18538848       0.57692668       1.59458875
O       -1.96846000       0.51135000       4.69048000      -0.28377285      -0.38225444       0.45646281
O        6.28820000       2.01228000       2.54053000       0.92913268       0.59166963       0.14571985
O        0.70963000       1.15291000       4.45300000       0.42531630      -0.90936364      -2.48883151
O        3.63850000       1.56909000       2.83484000      -0.23036428       0.08684780       1.22925348
Zn       4.72450000       0.75313000       6.39128000      -0.01470597       0.17499246      -0.24136528
Zn       7.83698000       1.61368000       1.13545000      -1.83396422      -0.86623635      -0.49254153
Zn       2.41760000       0.07930000       3.63872000       0.00676405      -0.18610499       0.02827360
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.36820166 magmom=12.0013474 free_energy=-96.36820181 stress="-0.019871989821011377 -0.001502199500825471 -0.004632344470420574 -0.001502199500825471 -0.0236414453863937 0.016971743200461013 -0.004632344470420574 0.016971743200461013 -0.002038711161800021" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57494000       1.23507000       6.16063000      -1.40224827       0.45644245       0.33516755
Cr      10.73554000       1.52786000       1.09095000       2.09978952       1.64429270      -1.12439206
Cr      -0.40726000      -0.64086000       4.64114000       0.85311130       0.07656363      -1.34030735
Cr       5.24935000       0.30660000       2.57251000       0.45690702       0.37288456       2.18224536
O        0.47462000      -0.56688000       6.44389000      -0.41321946       0.92370215      -1.01373332
O        4.48571000       0.45928000       0.84406000       0.85223288      -1.47489395      -0.69340086
O        3.03741000       0.09527000       5.70963000      -0.44912374      -1.09879345      -0.56387058
O        2.12288000      -0.07859000       1.52886000      -2.72118764      -1.79957969       1.30182141
O        5.89349000       0.60448000       4.65343000       0.08739484      -0.63007329       0.56150315
O        6.21987000       1.93903000       2.46084000       1.30116816       1.18652269       0.22303778
O        0.86982000       1.08363000       4.29945000      -0.93498898       0.03735899      -0.32921250
O        3.53750000       1.57919000       2.97050000       0.73883206       0.61396317       0.10201177
Zn       4.71190000       0.67412000       6.36097000       0.77243119       0.41103090       0.14903793
Zn       7.84164000       1.64143000       1.15242000      -0.82262869      -0.08493165      -0.36011246
Zn       2.53649000       0.00966000       3.63856000      -0.41847019      -0.63448921       0.57020419
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.41999578 magmom=12.0005174 free_energy=-96.41999652 stress="-0.024263352732353142 -0.010461300859346555 0.00985218540520099 -0.010461300859346555 -0.031958196047345545 0.02430522337827887 0.00985218540520099 0.02430522337827887 0.032613316722790116" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.81642000      -1.62033000       6.19770000      -1.30904137      -1.75760503      -1.24925401
Cr      10.75493000       1.58387000       1.04670000      -1.96764570      -1.08847467       1.59916083
Cr      -0.37738000      -0.52127000       4.47774000       1.86339272      -1.41686500      -0.75092132
Cr       5.28872000       0.27621000       2.69322000       0.54565271       2.46431166       0.96826652
O        0.43667000      -0.38249000       6.30035000      -0.51718639      -0.61678765       1.20377527
O        4.36087000       0.33810000       0.94479000       1.87751272       0.13790341      -1.41799645
O        2.88572000      -0.05705000       5.72927000       1.77156683       2.21643999      -0.26417301
O        1.94960000      -0.20938000       1.76601000       1.03918060       0.80596987      -1.15364851
O       -1.88211000       0.61251000       4.70716000      -0.99051371       0.39308999      -0.38761733
O        6.29463000       2.05991000       2.44705000      -0.13029920      -0.34013236       0.68657592
O        0.85455000       1.00962000       4.07813000      -0.73525568       0.81246679       1.38060140
O        3.59036000       1.68991000       3.08556000       0.66428141      -1.24572183      -0.70670593
Zn       4.73674000       0.61866000       6.33313000      -0.16954433       0.08367325      -0.08478869
Zn       7.79543000       1.64965000       1.14935000      -0.60177050      -0.53769726      -0.41503922
Zn       2.63163000      -0.09183000       3.67300000      -1.34033011       0.08942885       0.59176452
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.87185653 magmom=12.0010548 free_energy=-96.87185654 stress="-0.006125901821672618 -0.010214463934586956 -0.0006485708856999445 -0.010214463934586956 -0.015039367787034932 0.0143201564996897 -0.0006485708856999445 0.0143201564996897 0.016649591033652912" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.95705000      -1.63307000       6.15735000       1.00415167       0.66573843      -0.57062859
Cr      10.69182000       1.58890000       1.08787000       1.73615790      -1.39928737       0.40199053
Cr      -0.27851000      -0.49004000       4.31551000      -0.45993622      -1.74170974       2.82731748
Cr       5.35888000       0.37985000       2.84772000      -1.29141860       1.01701384      -1.80010315
O        0.33844000      -0.33152000       6.34217000      -0.61875682      -1.32002007       0.17406328
O        4.54394000       0.20076000       0.79019000      -0.47762807       1.14324559       1.03576973
O        2.93298000       0.08993000       5.72866000      -0.60610510      -0.15888204      -0.70113923
O        1.96463000      -0.19909000       1.77733000       0.38939251       0.59448924      -0.10188517
O        5.98518000       0.66053000       4.67252000      -0.07562196       0.07543448       0.17504712
O        6.31816000       2.13487000       2.56506000       0.69629529      -0.45641878      -1.17215462
O        0.71074000       1.10866000       4.15469000       1.16858080       1.56788987       0.00659402
O        3.76878000       1.62314000       3.02883000      -1.09751148      -0.32912905       0.01704721
Zn      -3.10512000       0.57848000       6.30153000       0.03971694       0.28128883      -0.05998055
Zn       7.72645000       1.62587000       1.12807000      -0.21604601      -0.10142974      -0.30697867
Zn       2.65829000      -0.18434000       3.73111000      -0.19127085       0.16177650       0.07504061
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.34577376 magmom=12.0002587 free_energy=-96.34577376 stress="-0.015516552287217098 0.02232611967720457 -0.004509527243252607 0.02232611967720457 -0.009850937028477703 0.0037300353796299764 -0.004509527243252607 0.0037300353796299764 -0.015592866270589886" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.03667000      -1.63175000       6.11724000       1.00937935       0.44880381       2.06479039
Cr      10.73187000       1.52584000       1.14794000       2.73763837       0.59101813      -0.99619705
Cr      -0.22382000      -0.53220000       4.32905000      -2.21225595       1.50385734       2.65849223
Cr       5.36352000       0.52025000       2.87010000      -0.78591949      -1.69634101      -3.08620194
O        0.22728000      -0.47902000       6.42202000       0.25148283       0.66310670      -0.86483666
O        4.58242000       0.27929000       0.76992000      -0.65494539       0.23904523       0.86922328
O        2.86231000       0.23175000       5.63227000       0.18174724      -0.78071080       0.36153637
O        2.09494000      -0.09735000       1.73383000      -1.67884363      -1.40894940       0.74881780
O        6.00699000       0.71806000       4.64534000       0.14394626      -0.28724823       0.66942761
O        6.40337000       2.14896000       2.53988000      -0.01199065       0.49860266      -0.47367012
O        0.73086000       1.34913000       4.25941000       0.73945766      -2.41424670      -1.31719508
O        3.75642000       1.53570000       2.95849000      -0.69906824       1.60032209       1.16447799
Zn      -3.09169000       0.55765000       6.26804000      -0.32318000       0.32172934      -0.09665758
Zn       7.65904000       1.58925000       1.09212000       0.55617736       0.19301750      -0.36904344
Zn       2.67166000      -0.25359000       3.78015000       0.74637430       0.52799334      -1.33296380
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.57348191 magmom=12.0008313 free_energy=-96.57348193 stress="-0.02506472584149195 0.0385705462417393 0.008993886037860728 0.0385705462417393 -0.009280028023736845 0.003851153742911988 0.008993886037860728 0.003851153742911988 0.007478835818997866" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.04982000      -1.60420000       6.18575000       1.30427744       0.00782335      -1.09077859
Cr       3.05521000       1.47968000       1.17195000      -5.19015476       1.90892498       0.73897870
Cr      -0.28376000      -0.51668000       4.51601000       0.30375331       0.04880202      -1.64675819
Cr       5.31790000       0.59714000       2.70355000       1.14385594      -0.57773626       0.97316530
O        0.24077000      -0.49753000       6.39495000       0.17758379       1.04681625       1.14687666
O        4.46046000       0.39793000       0.89580000       3.03162946      -1.77553990      -0.83264597
O        2.75211000       0.22214000       5.64603000       1.18347283      -0.97788662       0.70737744
O        2.03939000      -0.18769000       1.75276000       0.53033560      -0.16520173      -0.43411479
O        6.05628000       0.72779000       4.67194000      -1.56317856      -0.56266475      -0.34231819
O       -0.86525000      -0.66708000       2.47376000      -1.10876159       0.19578604       0.50168766
O        0.78014000       1.18155000       4.22305000      -0.83976180       0.04569607       0.78637496
O        3.67395000       1.73323000       3.03904000       1.98278519      -0.30120682      -0.22621859
Zn      -3.09473000       0.55268000       6.22286000      -0.51050062       0.29595654      -0.06982803
Zn       7.61912000       1.54905000       1.02947000       1.17422953       0.20557634       0.17195146
Zn       2.71907000      -0.30081000       3.76486000      -1.61956573       0.60485449      -0.38374983
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.97710682 magmom=11.9974678 free_energy=-95.97710682 stress="-0.03785221762237313 -0.0014331206311408435 0.004974833714662578 -0.0014331206311408435 -0.034146043120191816 0.02006271496081988 0.004974833714662578 0.02006271496081988 0.007745893691672573" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.97312000      -1.57562000       6.22283000       0.65497595      -1.02269880      -0.33986126
Cr       3.02912000       1.51273000       1.23484000      -0.20672152      -0.45263353      -0.68963828
Cr      -0.38854000      -0.50744000       4.66258000      -0.83301529      -1.74820264      -1.64927592
Cr       5.35386000       0.65550000       2.56198000       1.12622465       0.52832001       3.09505791
O        0.35963000      -0.32224000       6.52310000      -0.97893348      -1.28454126       0.24552508
O        4.63744000       0.29118000       0.86943000      -0.90990268       0.45593373      -0.85864348
O        2.80986000       0.04479000       5.82342000       0.97588985       0.92314334      -1.58326957
O        2.08701000      -0.33087000       1.69655000      -0.18675849       1.00208941       0.68882324
O        5.90621000       0.66920000       4.62906000      -0.11864632       0.53091254       0.50851019
O       -1.03680000      -0.52409000       2.51560000       2.55578323      -0.71952673      -0.62871659
O        0.67920000       0.97690000       4.33600000       1.18329374       2.72652709      -0.16937778
O        3.90153000       1.91537000       3.06361000      -2.18488478      -1.39636864      -0.09838125
Zn       4.73157000       0.56202000       6.16595000      -0.42597619       0.19176603       0.37654503
Zn       7.63153000       1.50629000       0.96422000       0.48395132       0.23363705       0.56009941
Zn       2.70407000      -0.32363000       3.71561000      -1.13527999       0.03164240       0.54260326
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.10772997 magmom=12.0008175 free_energy=-96.10773262 stress="-0.0021130575905604927 0.001644132429472535 -0.010625477028556077 0.001644132429472535 -0.00430817582181012 0.009183512091602728 -0.010625477028556077 0.009183512091602728 -0.017875454533657867" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.85472000      -1.60593000       6.23141000      -0.68971226      -0.84720983       0.42403677
Cr       2.95783000       1.53565000       1.25947000       2.25598272      -0.74189957      -1.02257635
Cr      -0.52274000      -0.56443000       4.70166000       2.84790925       1.31444512      -0.65301250
Cr       5.46617000       0.71901000       2.58245000      -1.52267059      -1.50117157       0.58758181
O        0.37358000      -0.36944000       6.66521000      -0.64742731      -0.77586970      -2.35859051
O        4.73112000       0.23574000       0.78807000      -0.29390405       0.98500065       2.11278158
O        2.95556000      -0.00062000       5.73226000      -1.06039688       0.66779764      -1.25384266
O        2.11890000      -0.24591000       1.74365000      -1.32643351       0.82656253       0.52917188
O        5.80251000       0.70045000       4.62337000       0.61176877      -0.17225076      -0.19797871
O       -0.86052000      -0.51280000       2.48571000       0.87975148      -0.14586317       0.33242664
O        0.69128000       1.19601000       4.47774000      -1.18945320      -0.21119992      -1.10136352
O        3.84787000       1.84270000       2.99141000      -0.24877911      -0.21719907       0.37707835
Zn       4.67758000       0.58454000       6.13716000       0.21532985       0.42772947       1.34401170
Zn       7.67334000       1.47014000       0.92696000       0.56831282       0.27593683       0.34174492
Zn       2.61882000      -0.34012000       3.69548000      -0.40027796       0.11519134       0.53853059
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.59504034 magmom=11.9995369 free_energy=-95.59504034 stress="0.0239499558611959 0.007123001760131539 -0.00796728118128835 0.007123001760131539 0.0054889971404081545 -0.005515042521084827 -0.00796728118128835 -0.005515042521084827 -0.032326476099831504" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.78398000      -1.68365000       6.25084000      -2.38732454       0.73264887      -0.72750076
Cr       2.99243000       1.52734000       1.21020000       0.13246962       0.96104092      -0.21130693
Cr      -0.50967000      -0.55415000       4.69559000       2.52812180       1.95504897      -0.67251246
Cr       5.52027000       0.71100000       2.65334000      -1.04682572      -1.26697024       0.40650666
O        0.34151000      -0.56996000       6.51416000       0.42891311       1.19116949       1.14587507
O        4.69060000       0.37541000       0.97710000      -0.47583715      -0.16023973      -2.25068733
O        2.87497000       0.08622000       5.47303000       0.79808736      -0.19620970       1.97489240
O        2.00176000      -0.00234000       1.82189000       0.05473405      -1.39692160      -0.97119416
O        5.85770000       0.71901000       4.57417000      -0.86789475      -0.53028697       1.09278814
O       -0.58245000      -0.58406000       2.50649000      -2.03734735      -0.00036714       0.26539155
O        0.54703000       1.38907000       4.50171000       0.88039098      -2.42595737      -0.58856372
O        3.72103000       1.68803000       2.94747000       1.29568638       0.68378991       1.33669918
Zn       4.63380000       0.63072000       6.17277000       0.03450630       0.16841386       0.10579387
Zn       7.74187000       1.44025000       0.91076000       0.64774850       0.21820714       0.71823577
Zn       2.50782000      -0.35227000       3.69511000       0.01457141       0.06663359      -1.62441730
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.59891959 magmom=11.9999184 free_energy=-96.59891959 stress="-0.005684792882230529 0.0053477832398539015 0.0035666994111714354 0.0053477832398539015 -0.011303558930323894 0.005749340516153911 0.0035666994111714354 0.005749340516153911 0.007871230984323697" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43957000       1.19749000       6.22660000      -0.89884453       1.58812630      -0.49687900
Cr      10.89791000       1.56643000       1.16406000      -0.44868758       1.51501055       1.39281065
Cr      -0.35111000      -0.44786000       4.65164000      -2.19604159      -2.90559384      -0.50854643
Cr       5.50389000       0.62124000       2.74404000      -1.67409208      -1.55188972      -0.02050974
O        0.42090000      -0.51338000       6.52859000      -0.67069651       0.70008843      -0.41955784
O        4.55627000       0.48934000       0.84891000       1.65736403      -1.40588860       0.66434382
O        2.83176000       0.10970000       5.56460000       0.74445157      -1.31611822      -0.22640343
O        1.95781000       0.02039000       1.68187000       0.14254202      -1.25754572       0.28016996
O        5.86545000       0.67860000       4.67496000       0.60277110       0.44400745       0.74228320
O       -0.74897000      -0.68153000       2.60424000      -0.00670321       0.71797538      -0.18951370
O        0.54913000       1.13386000       4.42227000       2.33405042       1.74294432      -0.79698231
O        3.83565000       1.65519000       3.04070000      -0.80047698       1.02004007      -0.40812007
Zn       4.59770000       0.69376000       6.22807000       0.12704721       0.07576989      -0.09345506
Zn       7.84467000       1.41675000       0.93072000       0.17128372       0.26403854       0.43794976
Zn       2.39719000      -0.35875000       3.62638000       0.91603240       0.36903517      -0.35758982
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.71416052 magmom=11.9975383 free_energy=-96.71416052 stress="-0.017671831533693543 -0.024559022656536325 0.0009132889039844864 -0.024559022656536325 -0.04402207861127217 0.023413141611858927 0.0009132889039844864 0.023413141611858927 0.010392206117504221" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.96244000      -1.65904000       6.17556000       2.41211499       0.74875042      -0.02977174
Cr      10.93307000       1.65843000       1.18627000      -0.01797768      -1.07982314      -0.31363198
Cr      -0.31385000      -0.47542000       4.58162000      -0.76408349      -1.38915041       0.07258383
Cr       5.40543000       0.48212000       2.83692000      -0.74367653       1.41901293      -0.08201826
O        0.40363000      -0.34281000       6.51257000      -1.38428978      -1.57464151      -0.79704190
O        4.59723000       0.38180000       0.80756000       0.41306128       0.52807107       1.47908655
O        2.85592000      -0.03916000       5.69547000       0.32621567       0.97927952      -0.56367761
O        1.99846000      -0.14369000       1.56863000       0.47553305       0.37520035       0.63367686
O        6.00638000       0.70784000       4.84243000      -0.19455527       0.07207632      -0.51525697
O       -0.97078000      -0.69754000       2.70249000       1.81397068      -0.14673487      -0.41564891
O        0.89263000       1.05154000       4.23652000      -1.58649815      -0.06842220       0.17584472
O        3.83661000       1.77637000       3.03081000      -1.55671382      -0.85343072       0.22204100
Zn       4.56751000       0.75935000       6.27990000      -0.22131273      -0.16265413       0.29773749
Zn       7.94875000       1.40091000       0.96677000      -0.38299897      -0.02850858      -0.36680937
Zn       2.33929000      -0.34638000       3.53582000       1.41121075       1.18097495       0.20288630
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.65872585 magmom=11.9998329 free_energy=-96.65872585 stress="-0.006600624252474425 -0.013148440837615799 -0.007585605620640948 -0.013148440837615799 -0.026841070311291362 0.01912077082656679 -0.007585605620640948 0.01912077082656679 -9.377836254093967e-05" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.92652000      -1.59293000       6.14171000       0.23288596      -1.39285287       0.29037580
Cr      10.95935000       1.67127000       1.18214000      -0.09531040      -2.18847131      -1.51416531
Cr      -0.35291000      -0.57963000       4.53735000       1.49998737       0.73101228       0.18394442
Cr       5.31505000       0.44369000       2.90225000       0.81493564       1.37951885      -0.31220793
O        0.28061000      -0.41120000       6.38352000       1.43311003       0.12036490       1.28989540
O        4.65928000       0.36030000       0.97967000       0.06010065       0.89252881      -0.99852026
O        2.87905000       0.00316000       5.71092000       0.25847364       1.06654986      -0.36230676
O        2.10361000      -0.20191000       1.56731000      -0.90261586       0.93358414      -0.31980793
O       -1.77402000       0.70335000       4.84265000      -2.32633375      -1.21166212      -0.14124628
O       -0.93481000      -0.71696000       2.71564000      -0.47650935      -0.41253771      -1.02367155
O        0.91309000       1.02828000       4.18404000      -1.25715058       0.23799537       0.61610752
O        3.63004000       1.75158000       3.03240000       0.55385947      -0.76758693       1.06078536
Zn       4.54043000       0.80492000       6.33165000       0.30740066      -0.17601296       0.25246194
Zn       8.00970000       1.38558000       0.97772000      -0.47394377       0.08887400      -0.29622533
Zn       2.35976000      -0.28247000       3.48176000       0.37111028       0.69869570       1.27458092
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.92398179 magmom=12.0003622 free_energy=-96.92398179 stress="-0.013018182308505698 0.019565483182714036 -0.00583512381758005 0.019565483182714036 -0.0007260016186100624 0.002693689019032776 -0.00583512381758005 0.002693689019032776 0.01597702786801269" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.85153000      -1.59437000       6.12269000      -0.44859876       0.17240063       0.83358453
Cr      10.98395000       1.57044000       1.09949000      -0.62712868       0.86747231       0.91961285
Cr      -0.35316000      -0.66567000       4.51667000      -1.40925572      -0.37177262       0.78133210
Cr       5.28030000       0.49171000       2.93381000      -0.52250048      -1.02170813      -1.54353168
O        0.45560000      -0.48089000       6.44469000      -0.50751402       0.84973159      -0.08126698
O        4.65811000       0.45540000       0.98723000       0.43384222      -1.13945261      -1.04620274
O        2.87330000       0.20848000       5.65540000       0.61063583      -1.62409099      -0.71463397
O        2.08771000      -0.09853000       1.49960000      -0.62722074      -0.61268224       0.30813886
O       -2.02009000       0.51609000       4.74932000       0.89830451       0.50052035       1.16206150
O        6.30233000       2.09941000       2.61990000       0.31310496       0.59454132       0.49620251
O        0.63665000       1.01800000       4.31290000       1.13712464       0.83908341      -0.92307604
O        3.52898000       1.57447000       3.15171000       0.58438250       0.68661955      -0.72594569
Zn       4.52972000       0.84793000       6.40086000       0.42227551      -0.24315389      -0.33854584
Zn       8.04709000       1.37003000       0.96910000      -0.39889041       0.28523569      -0.02995023
Zn       2.41235000      -0.16458000       3.49223000       0.14143863       0.21725564       0.90222080
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.16073552 magmom=11.9998455 free_energy=-96.16073552 stress="-0.021811726744926922 0.013094556316471748 0.0005849806493443997 0.013094556316471748 -0.021884854225679637 -0.0019142875699113436 0.0005849806493443997 -0.0019142875699113436 -0.005325248233705846" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.78351000      -1.59966000       6.13506000      -0.19030410       0.18392867      -0.98561515
Cr       3.12550000       1.48609000       1.05188000      -0.48581041       1.34057864       1.65873366
Cr      -0.44844000      -0.76347000       4.53839000      -1.23554434       1.56386009       1.00403194
Cr       5.23740000       0.49752000       2.87591000       0.11385503      -2.33928238      -0.71437653
O        0.63006000      -0.38237000       6.51327000      -2.22041901      -0.41701150      -1.62790603
O        4.66264000       0.34792000       0.81438000       0.58085689      -0.34714327       1.48075723
O        2.90325000       0.13551000       5.47762000       0.75784073      -0.48124053       0.86134298
O        1.95545000      -0.06802000       1.46849000       0.51851062      -0.62603002       0.88354481
O       -2.14687000       0.38482000       4.78097000       1.14973185       1.08656115       0.42111149
O        6.21541000       2.07616000       2.65948000       0.89878736       0.93082828       0.10414592
O        0.52024000       1.11381000       4.35260000       1.88465118      -1.19947454      -0.93904125
O        3.58992000       1.51717000       3.09952000      -0.26612163       1.63555135      -1.16586865
Zn       4.53893000       0.88974000       6.46236000      -0.36353542      -0.75114153      -1.38395490
Zn       8.07200000       1.36329000       0.95494000      -0.36585661       0.13811431       0.39116111
Zn       2.48012000      -0.01426000       3.56395000      -0.77664214      -0.71809871       0.01193337
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.66188248 magmom=11.9999725 free_energy=-95.66188248 stress="0.01074774791146422 -0.027793969273977315 -0.009798922675679079 -0.027793969273977315 -0.03221274041823792 0.014392046825952536 -0.009798922675679079 0.014392046825952536 -0.02690173551432714" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.74136000      -1.60550000       6.09790000      -2.13469241      -1.66139855      -1.07243165
Cr       3.09453000       1.46403000       1.05981000      -1.40976519      -0.13477681      -2.11785337
Cr      -0.61618000      -0.79444000       4.62225000       4.37587138       1.92311865       0.42926623
Cr       5.21936000       0.39115000       2.74944000       2.14116247       1.92895338       0.66201792
O        0.46619000      -0.34796000       6.36631000       0.19179455      -1.34605206       0.93241201
O        4.70386000       0.15151000       0.83740000      -0.06588259       1.73088739      -0.39419623
O        3.07920000      -0.08710000       5.47956000       0.28903006       1.69864248       0.90268331
O        1.93285000      -0.13857000       1.62765000       1.21169075       0.01550357      -0.03204423
O       -2.04131000       0.47416000       4.87989000      -1.70368134      -0.29324593      -0.13599868
O       -1.09385000      -0.75302000       2.79591000       0.07118942      -0.94431602      -1.47629778
O        0.70300000       1.05460000       4.26250000      -0.00757507       0.30373436       0.20478047
O        3.65998000       1.72720000       2.80214000      -1.01927994      -2.11503750       2.79558342
Zn       4.53305000       0.90407000       6.46274000      -0.10994109      -0.76939779      -0.74753093
Zn       8.08584000       1.35964000       0.95778000      -0.23569586       0.06259964       0.70381180
Zn       2.51816000       0.13832000       3.64598000      -1.59422516      -0.39921480      -0.65420229
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.82879826 magmom=11.9997881 free_energy=-95.82879826 stress="-0.010569470812490338 -0.007320277120348803 -0.013337348031785736 -0.007320277120348803 -0.01218674187134912 0.005659760617073661 -0.013337348031785736 0.005659760617073661 -0.021205816299475988" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48838000       1.21976000       5.99300000       0.42621088      -0.66567771       2.84707137
Cr       3.00707000       1.45368000       0.98611000       0.79452617       0.29797691       2.26985569
Cr      -0.57826000      -0.71245000       4.71435000       1.17718348       0.67079967      -2.24235210
Cr       5.31704000       0.35893000       2.65253000      -1.34286322       0.75806853       1.35708671
O        0.36570000      -0.57449000       6.36348000       1.03053347       0.45838595       0.20434154
O        4.64480000       0.24564000       0.81289000      -0.35179037       0.07827772      -1.28867634
O        3.16606000      -0.09328000       5.69391000      -2.69176933      -0.14461158      -1.07652675
O        2.14012000      -0.21559000       1.75613000      -1.04358643      -0.48268043      -1.57839887
O       -2.08219000       0.55449000       4.89377000       0.19905729      -0.48212406      -0.47549666
O        6.21163000       2.07855000       2.76246000       1.57143336      -0.17816686      -0.44291345
O        0.85676000       1.05286000       4.25914000      -2.31455746       0.27681251      -0.54347948
O        3.60297000       1.64135000       2.88579000       1.12107343      -0.10361830       0.07282920
Zn       4.52535000       0.89090000       6.43090000       0.96936093       0.37174459       0.82195715
Zn       8.09227000       1.35892000       0.99575000      -0.24588765       0.46367919       0.54251122
Zn       2.48863000       0.26607000       3.69363000       0.70107546      -1.31886613      -0.46780922
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.99372811 magmom=12.0002346 free_energy=-95.99372811 stress="-0.04295882917429724 0.026404286556669748 0.0024193410699405457 0.026404286556669748 -0.019652199664652602 0.0027627407381527057 0.0024193410699405457 0.0027627407381527057 0.011145445107720798" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42178000       1.09431000       6.03004000      -1.45713802       0.91316427       1.56439591
Cr       2.97128000       1.45316000       1.00927000       2.34750705      -0.41364007       0.79787028
Cr      -0.46981000      -0.59822000       4.68560000      -0.05360228      -1.32984428      -2.31671888
Cr       5.37629000       0.37914000       2.62752000      -0.30595930      -0.76670945       1.01981730
O        0.44018000      -0.69643000       6.39747000      -1.59723074       1.42877291      -0.27472176
O        4.51490000       0.34777000       0.64739000       1.40377907      -1.44338611       2.09526029
O        2.81357000      -0.08556000       5.72734000       2.71530190      -0.15257996      -1.27741009
O        2.18679000      -0.32450000       1.61093000      -1.75338677       1.37095438       1.03004741
O       -2.03968000       0.55397000       4.79827000      -0.18149298       0.35019973       0.01647968
O        6.39355000       1.98294000       2.63974000       0.25257423       1.20880116      -0.54922704
O        0.62209000       1.10042000       4.23743000       0.35540436      -0.54819066      -0.40189276
O        3.76057000       1.51721000       2.99165000       0.06831742       0.76036723      -1.05750140
Zn       4.55176000       0.88723000       6.42814000      -0.03314544      -0.59530368      -0.39047848
Zn       8.08415000       1.37596000       1.05702000      -1.43870313       0.08588865       0.11850683
Zn       2.47074000       0.31782000       3.72234000      -0.32222538      -0.86849411      -0.37442730
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.72837281 magmom=11.9993337 free_energy=-96.72837281 stress="-0.01454555470817166 -0.010663640511411963 0.0006755075850873383 -0.010663640511411963 -0.03108389731410067 0.01700447990958476 0.0006755075850873383 0.01700447990958476 0.020213796200464446" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31434000       1.04436000       6.16264000       0.39295922       1.97967336      -1.78104174
Cr       3.04712000       1.44031000       1.09320000      -0.47420338      -0.07684850       0.40380662
Cr      -0.41055000      -0.58044000       4.52719000      -1.02429955      -1.64659356      -0.88403878
Cr       5.43400000       0.37598000       2.66521000       1.31430674       0.18257002       0.21037526
O        0.30850000      -0.55068000       6.40039000      -0.29955149      -0.82917205       0.72942067
O        4.57075000       0.18256000       0.79373000       0.67628001       0.49046281      -0.20853493
O        2.80794000      -0.11940000       5.55857000       0.61772449       0.15344721       0.66200221
O        2.04884000      -0.20852000       1.61164000       0.81520151       0.05022477       1.07724258
O        5.90460000       0.60662000       4.67739000      -1.05975806      -0.09287319       0.00993523
O        6.53144000       2.06887000       2.46926000      -0.80460789       0.10973167       0.29485732
O        0.47940000       1.05887000       4.19033000       2.94911157       0.44588014       0.44243965
O        3.92400000       1.56164000       2.86462000      -1.83834411      -0.18706401       0.94345076
Zn       4.58055000       0.86450000       6.41402000       0.04887248      -0.44614671      -0.56883150
Zn       8.00728000       1.38860000       1.11289000      -1.13615295      -0.15891797      -0.23785693
Zn       2.44512000       0.31628000       3.72290000      -0.17753859       0.02562603      -1.09322642
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.4668365 magmom=11.9972643 free_energy=-96.4668365 stress="0.02128171718232577 -0.014472178172480298 -0.010270723143983604 -0.014472178172480298 -0.004752977712405776 0.015736608100928796 -0.010270723143983604 0.015736608100928796 -0.01513359800987055" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.23525000       1.10957000       6.19504000       1.90133433       0.84545084      -1.05218632
Cr       3.09926000       1.42539000       1.18286000      -0.75739757       0.37040729      -0.57349289
Cr      -0.40118000      -0.64592000       4.35323000       1.43251368       0.42696310       2.17099007
Cr       5.51860000       0.38630000       2.70369000      -3.32183522       0.27352565      -1.65291927
O        0.18353000      -0.50675000       6.47298000       0.60310566      -0.80282992      -0.44335876
O        4.69149000       0.11388000       0.86837000      -0.30843382       1.30595365      -1.10095873
O        2.94807000      -0.14000000       5.54095000      -0.86362752       0.50324165       1.00405517
O        2.06798000      -0.09623000       1.79810000      -0.27867904      -1.62098971      -0.63408028
O        5.88308000       0.62575000       4.55470000       0.52824711      -0.52573301       1.03170281
O        6.48749000       2.15023000       2.42512000       0.66845281      -0.63202982       0.36734376
O        0.72986000       1.05500000       4.27472000      -1.75367013       0.24032452      -0.03301633
O        3.84554000       1.58366000       2.89916000       1.02377172       0.03801676       1.52714627
Zn       4.60088000       0.82696000       6.37594000      -0.43418135      -0.39033735      -0.28697748
Zn       7.89360000       1.38916000       1.14286000       0.54486881       0.37173337      -0.78810340
Zn       2.42117000       0.31172000       3.67606000       1.01553054      -0.40369699       0.46385538
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.77526227 magmom=12.0002353 free_energy=-96.77526227 stress="-0.010902641546022489 0.017501155344533163 -0.011146900290607463 0.017501155344533163 -0.0013977530947129897 0.004939804180919927 -0.011146900290607463 0.004939804180919927 0.0039070588153223415" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.27267000       1.22644000       6.15723000       1.19956220      -1.15865953       0.69625195
Cr       3.10841000       1.43310000       1.24795000      -0.73157708       0.56883443      -1.38321173
Cr      -0.32416000      -0.69901000       4.32236000      -0.30264487       0.88912123       3.26897713
Cr       5.42753000       0.41451000       2.65870000       0.00219277      -0.20895173       0.72073631
O        0.27896000      -0.59576000       6.48796000      -0.19588094       0.87424496       0.15676240
O        4.66226000       0.29376000       0.76560000      -0.29028484      -0.55200233       1.78100775
O        2.88264000      -0.05195000       5.74603000      -0.35494845       0.75008695      -1.18352792
O        2.11502000      -0.28218000       1.82935000       0.39282693      -0.08460986      -0.45182165
O       -1.86983000       0.54274000       4.55335000      -0.45006715      -0.13126515       0.35747485
O        6.47515000       2.10949000       2.50155000       0.05539346      -0.05759283      -1.45553511
O        0.67995000       1.09123000       4.35642000       0.77096902      -0.75368143      -1.99289331
O        3.93343000       1.61007000       3.12228000      -0.98109686      -0.13287659      -1.06752626
Zn       4.59793000       0.77393000       6.31949000       0.21785345      -0.12229014       0.04866121
Zn       7.80535000       1.40258000       1.12675000       0.45370491       0.35655502      -0.92933267
Zn       2.44241000       0.28872000       3.65793000       0.21399745      -0.23691301       1.43397705
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.95214285 magmom=12.0001037 free_energy=-95.95214285 stress="-0.09272231168609997 0.06576177107576978 0.021402158897361936 0.06576177107576978 -0.03419171096295653 0.0019287494711144897 0.021402158897361936 0.0019287494711144897 0.0398916522125299" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.91294000      -1.59830000       6.15267000      -1.77347299      -0.31900433       1.11406132
Cr       3.07390000       1.47558000       1.23241000      -0.15870556      -0.81352209      -1.32875252
Cr      -0.25952000      -0.71763000       4.47939000      -1.03016596      -0.37091808      -0.25086355
Cr       5.30816000       0.44168000       2.64210000       3.31157689      -0.64854031       2.35629647
O        0.43946000      -0.52562000       6.51575000      -1.46792353       1.08375145      -0.65150186
O        4.52801000       0.37880000       0.90660000       1.74758142      -1.76160396      -1.22162975
O        2.73281000       0.15772000       5.77220000       3.26223328      -1.40989285      -1.59390527
O        9.49938000       2.40262000       1.74465000      -2.57990566       2.67336046       1.19421176
O       -1.78312000       0.44467000       4.63320000      -1.42817142       0.85401391       0.32375388
O        6.45217000       2.02499000       2.44862000      -0.35067591       0.61999435       0.31338887
O        0.71073000       1.00185000       4.17685000       1.00811214       0.39706765       0.79005215
O        3.89213000       1.63108000       3.15241000      -1.73087287      -0.11945987      -0.32868235
Zn       4.60426000       0.70640000       6.25030000       0.74250534       0.04555161       0.12894695
Zn       7.72856000       1.43291000       1.05166000       0.51663423       0.24170721      -0.37899182
Zn       2.48968000       0.24262000       3.70954000      -0.06874941      -0.47250514      -0.46638428
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.56249286 magmom=11.9995239 free_energy=-96.56249316 stress="-0.004510140565146862 -0.010915143769397838 -0.008343405724722957 -0.010915143769397838 0.00267266962606274 0.02581552586839495 -0.008343405724722957 0.02581552586839495 0.007435914708361722" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.84675000      -1.53812000       6.19934000       0.84036723      -0.35171029      -0.91508180
Cr       2.99125000       1.49120000       1.14206000      -1.29591874      -0.91698461       1.33992357
Cr      -0.27509000      -0.73639000       4.64462000       0.11860432       0.77486997      -2.14821337
Cr       5.35557000       0.43875000       2.75863000      -0.71954975      -1.25158580       0.32445326
O        0.42552000      -0.27140000       6.44767000      -0.04182819      -1.47173560      -0.01262277
O        4.60395000       0.18598000       0.92712000       0.14728104       1.45689489      -0.88626309
O        2.97646000       0.17062000       5.57191000      -1.48464702      -0.71129918       1.46505193
O        2.00344000      -0.33656000       1.77663000       0.44671901       0.45185413      -1.12045196
O       -1.87812000       0.49723000       4.74789000       0.35009890       0.02995304      -0.40693119
O        6.32434000       2.03244000       2.47555000       0.71092517       0.81177675       0.74773726
O        0.84270000       0.95817000       4.18619000      -2.06814749       1.14323614       1.81258944
O        3.61615000       1.63826000       3.01957000       1.46971741       0.23413950       0.07182625
Zn       4.65457000       0.64228000       6.18622000       1.07703101       0.55737913       1.13186755
Zn       7.67302000       1.47314000       0.94633000       0.61070898       0.33399519       0.56300419
Zn       2.54569000       0.15678000       3.73803000      -0.16136187      -1.09078327      -1.96688927
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.35682543 magmom=12.0015992 free_energy=-96.35682543 stress="-0.004688681268017165 -0.00892843247385376 0.001916320491848735 -0.00892843247385376 -0.024900911667328707 0.02726861097759941 0.001916320491848735 0.02726861097759941 -0.025418638014868232" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.77995000      -1.51952000       6.20379000      -1.07800518      -1.91140937       0.47538657
Cr      10.73070000       1.48093000       1.11403000       1.65370544       1.32395789      -0.89408943
Cr      -0.29722000      -0.70346000       4.67988000      -0.73986808       2.11034431      -1.22402706
Cr       5.38849000       0.39007000       2.86498000      -1.76577841       0.67326881      -1.99066615
O        0.44476000      -0.31413000       6.42015000      -0.19916851      -1.04562580       1.27308861
O        4.64341000       0.21096000       0.82655000      -0.52832971       0.85042638       1.39958423
O        2.97012000       0.04389000       5.61957000       0.20974143       1.38660071      -0.42860971
O        1.91503000      -0.10039000       1.62901000      -0.14423849      -1.39492765       0.39421895
O       -1.87387000       0.56757000       4.74797000      -0.52589762      -0.58093684       0.21314796
O        6.27993000       2.11988000       2.64698000       1.71492896      -0.68531239      -0.09667601
O        0.63918000       1.11696000       4.47919000       1.95445092      -0.52455670      -1.99018863
O        3.60599000       1.66730000       2.90485000       0.20415088      -0.44393763       1.75112853
Zn       4.73850000       0.61845000       6.18047000      -0.36864856       0.43067562       0.59461352
Zn       7.65640000       1.51348000       0.88577000       0.25782498       0.04378061       1.13721581
Zn       2.58325000       0.03916000       3.68071000      -0.64486806      -0.23234795      -0.61412720
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.78002091 magmom=11.9997682 free_energy=-96.78002091 stress="0.009615034335170846 0.02262607245005182 0.01060890193336667 0.02262607245005182 0.0023964471895007696 0.014054207874258354 0.01060890193336667 0.014054207874258354 -0.02792706719041896" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.77712000      -1.60213000       6.23306000      -1.00057330      -0.25459323       0.40966986
Cr      10.71140000       1.53869000       1.07558000       1.57885063       0.62892944       2.12772906
Cr      -0.34012000      -0.57657000       4.64379000       1.48140273      -0.43198167       0.24697453
Cr       5.35047000       0.37604000       2.84153000      -0.00076874       0.77591145      -0.85338486
O        0.44627000      -0.55327000       6.55758000      -0.74264037       1.14154033      -2.25937797
O        4.53930000       0.40292000       0.92673000       0.37443582      -0.66493962       0.52312054
O        2.88717000       0.10885000       5.65522000       1.41228016      -0.33826682      -0.35526942
O        1.91152000      -0.11696000       1.52684000      -0.16123787      -0.66038452       0.72729538
O       -1.88684000       0.57417000       4.72942000      -0.61435870       0.42604084       0.37439627
O        6.43761000       2.10263000       2.78480000      -0.66337952      -0.10284417      -1.80065472
O        0.72025000       1.19444000       4.45638000       0.32597180      -0.51345996      -1.21224796
O        3.65052000       1.62839000       3.04478000      -0.16359437      -0.03870174       0.19151925
Zn       4.79538000       0.62782000       6.21369000      -1.27964404       0.32392906       0.01424388
Zn       7.65871000       1.54218000       0.89269000       0.23738733      -0.14665418       1.41790268
Zn       2.58163000      -0.07601000       3.59550000      -0.78413156      -0.14452520       0.44808346
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.56550792 magmom=12.0001821 free_energy=-96.56550793 stress="0.001791441975084399 0.024415368700404397 0.002590137252113871 0.024415368700404397 0.01637499053437692 0.014123733230298302 0.002590137252113871 0.014123733230298302 0.013541904355817199" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46936000       1.19791000       6.27326000       0.39524530       1.25672712      -1.75854430
Cr      10.78537000       1.63542000       1.12938000      -0.35626473      -1.69444045       0.84593756
Cr      -0.33015000      -0.46013000       4.58819000       0.68378432      -1.65155033      -1.19782233
Cr       5.32141000       0.41859000       2.76787000       0.81973020       0.22877235       1.94621502
O        0.36161000      -0.57613000       6.43984000       0.53332671       1.13056396       0.71706051
O        4.45492000       0.45048000       1.05961000       1.08016229      -1.09589084      -2.30732694
O        2.95394000       0.13908000       5.68119000      -0.27214808      -1.27020575       0.51587385
O        1.96665000      -0.24609000       1.55049000      -0.23296561       1.23048990       0.39241013
O        5.94306000       0.66042000       4.72188000       0.51409421       0.30780190      -0.21424398
O        6.45376000       2.05821000       2.64596000      -0.79484611       0.63616305      -0.67710782
O        0.89704000       1.13748000       4.25178000      -1.06701671      -0.16085678       1.03181280
O        3.68422000       1.59011000       3.19964000       0.07025639       0.44217296      -1.20884160
Zn       4.78702000       0.66232000       6.26094000      -0.89223506       0.32415597       0.05416723
Zn       7.67146000       1.55502000       0.97557000       0.00489075      -0.14696731       0.67599055
Zn       2.53918000      -0.20488000       3.52554000      -0.48601386       0.46306425       1.18441933
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.41965737 magmom=11.999839 free_energy=-96.41965739 stress="-0.022562857016319285 -0.03069063011632731 0.011212310538541095 -0.03069063011632731 -0.045402937463709624 0.026128507760334936 0.011212310538541095 0.026128507760334936 0.018168917528870735" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44040000       1.14580000       6.20503000       0.85419385       1.92552268      -0.63319161
Cr      10.86393000       1.64111000       1.25192000      -0.09128760      -2.55729357      -2.12765427
Cr      -0.28782000      -0.43354000       4.46308000      -0.25521414      -1.52537001       0.37172658
Cr       5.33955000       0.49687000       2.77236000      -0.27657120      -0.51418172      -0.35078328
O        0.37680000      -0.36083000       6.36028000      -0.95502823      -2.08082720       0.59218586
O        4.54315000       0.27759000       0.84463000       0.41587517       1.37274985       1.33738538
O        2.92503000      -0.07475000       5.83890000       0.71515463       0.55765894      -0.92799418
O        2.03606000      -0.16972000       1.63748000      -0.46384500       0.46156013       0.04567184
O        6.07014000       0.80963000       4.63823000      -1.08309865      -0.97238669       0.29195104
O        6.25727000       2.13749000       2.36331000       1.20454185       0.77589759       1.01034064
O        0.88701000       1.02856000       4.23655000       0.22695174       1.40426677      -0.43489087
O        3.75954000       1.64195000       3.10064000      -0.64748909       0.43943729       0.02464090
Zn       4.72210000       0.72698000       6.31891000      -0.24956157       0.09516166      -0.14374736
Zn       7.69146000       1.55191000       1.11167000       0.29960968       0.02107245      -0.86840033
Zn       2.46237000      -0.33160000       3.51399000       0.30576856       0.59673182       1.81275965
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.06575464 magmom=12.0003576 free_energy=-96.06575532 stress="-0.01778352036230137 -0.03440459070141489 0.006020834141983256 -0.03440459070141489 -0.042122894582185134 0.025331680061424604 0.006020834141983256 0.025331680061424604 0.011070347313608734" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45267000       1.16878000       6.11975000      -0.92758863      -0.48428814       1.69168387
Cr       3.07378000       1.52608000       1.24186000      -0.27377272       0.88723542      -3.31663605
Cr      -0.27927000      -0.49179000       4.37132000      -0.30059045      -0.36394087       1.39405719
Cr       5.35431000       0.56562000       2.76583000      -1.28459862       0.26578519      -1.38622314
O        0.33461000      -0.42914000       6.35843000       0.28007218      -0.80129086      -0.36223410
O        4.63922000       0.28089000       0.78976000      -0.59060486       0.53266768       1.16411376
O        2.94349000      -0.13812000       5.83464000       0.87652013       1.77122578      -1.52548333
O        2.05182000      -0.03331000       1.70447000      -0.31771905      -1.50423794       0.16509934
O        6.06998000       0.77457000       4.57208000      -0.78165448      -0.69089782       0.56125365
O       -1.05782000      -0.59559000       2.30219000       1.92188609      -0.61424198       1.39602043
O        0.85624000       1.09843000       4.22498000      -1.08149337      -0.67549256      -0.26787416
O        3.76553000       1.76946000       2.98040000      -0.04962073      -0.05685892       1.67130531
Zn       4.64685000       0.80222000       6.37033000       0.15508858      -0.03671308       0.13673410
Zn       7.72622000       1.54215000       1.20556000       0.48783227       0.07560953      -1.39883222
Zn       2.40761000      -0.41817000       3.58457000       1.88624366       1.69543857       0.07701537
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.42411088 magmom=12.001018 free_energy=-96.42411088 stress="-0.013263765045697014 0.019995294222932655 -0.001578555945184842 0.019995294222932655 0.002982745165519769 0.008882910052010166 -0.001578555945184842 0.008882910052010166 0.007643274493598203" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43451000       1.18363000       6.12234000       0.30746896      -0.06637574      -0.79299501
Cr       3.11237000       1.44686000       1.06010000      -3.00496329       2.07599507       1.74483562
Cr      -0.32510000      -0.59304000       4.37620000      -1.23947244      -0.58760203       2.03064519
Cr       5.31964000       0.64468000       2.69793000       0.69403195      -0.37246914       1.37317398
O        0.38615000      -0.66036000       6.31122000       0.34892430       1.43360271       1.36792753
O        4.59602000       0.37512000       0.89211000       1.35669165      -1.26594551      -2.07924697
O        2.99995000       0.09418000       5.54430000      -1.07955399      -0.81355274       0.46967731
O        2.06850000      -0.12544000       1.73984000       0.41485967      -0.55740073      -0.61285839
O        5.94569000       0.60800000       4.56478000      -0.08639131       0.70003794       0.66977667
O       -0.78453000      -0.50892000       2.54291000      -1.13069965      -0.64935609      -1.49039054
O        0.66537000       1.07107000       4.22053000       1.29364567       0.19101603       0.15739980
O        3.77277000       1.88015000       3.03628000      -0.06491954      -0.85677017      -1.03783668
Zn       4.58039000       0.88848000       6.42994000       0.56807801      -0.01716146      -0.26016836
Zn       7.79065000       1.52871000       1.22925000       0.36090610       0.05647754      -0.88989543
Zn       2.44593000      -0.42378000       3.67304000       1.26139390       0.72950433      -0.65004471
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.39883298 magmom=12.0000159 free_energy=-96.39883298 stress="-0.017712044715663348 0.030624413415482537 -0.003524122638352257 0.030624413415482537 -0.001701833315130097 -0.0035236605357411043 -0.003524122638352257 -0.0035236605357411043 -0.02007136194132137" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42920000       1.18937000       6.08968000      -0.13978608       0.46365266      -0.54789491
Cr       3.02685000       1.47175000       0.98341000       1.29203399       0.06357625       2.80995104
Cr      -0.43261000      -0.70991000       4.49686000       0.87015101       1.30308573       0.86975180
Cr       5.31049000       0.68348000       2.69208000       1.37825955      -1.62326669      -0.34337224
O        0.50347000      -0.58909000       6.44156000      -1.92893904       0.88755811      -1.78088080
O        4.65557000       0.30381000       0.71465000       0.18768488       0.11359095       0.97564083
O        2.88054000       0.19433000       5.42114000       1.58448837      -0.97571431       1.69567357
O        2.17186000      -0.30500000       1.66102000      -0.64232003       0.67188768       0.25973736
O        5.84739000       0.58119000       4.64037000      -0.41158541      -0.10005195       0.40186915
O       -0.73360000      -0.57478000       2.58603000      -1.30292356      -0.53796253      -0.84895893
O        0.61237000       1.01693000       4.29405000       0.60170703       0.40289913      -0.52876091
O        3.82324000       1.84096000       2.88597000      -1.11239211      -0.04798173       0.10626443
Zn       4.54072000       0.97098000       6.46926000      -0.00812580      -0.38646876      -0.71549888
Zn       7.86782000       1.51253000       1.20360000      -0.41391979       0.11143715      -0.27040399
Zn       2.54628000      -0.38742000       3.70571000       0.04566700      -0.34624168      -2.08311751
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.46810994 magmom=12.0001889 free_energy=-96.46810994 stress="-0.0006196777291034605 -0.005518702922768301 -0.01608851912164914 -0.005518702922768301 -0.012875749965505926 0.010691721522840987 -0.01608851912164914 0.010691721522840987 -0.002100574953040783" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42050000       1.22042000       6.03645000       0.11651622       1.06891921       1.08544584
Cr       3.01342000       1.50443000       1.03980000       1.85739669      -0.88639610      -1.60138523
Cr      -0.49774000      -0.74843000       4.66124000       0.99338045       1.88827818      -1.79564100
Cr       5.36303000       0.61673000       2.68492000      -0.59763551      -2.67747802      -0.84593850
O        0.33877000      -0.36452000       6.36439000      -0.13931717      -1.44493023       0.42793131
O        4.69484000       0.23850000       0.66369000      -0.58278224       0.77202902       1.13084886
O        2.97057000       0.09827000       5.62731000      -0.28903132      -0.64813572      -0.88754467
O        2.17426000      -0.30473000       1.63125000      -1.19283328       1.17381158       0.75009679
O        5.75011000       0.58162000       4.73619000       0.19800904      -0.55303713      -0.11645136
O        6.35631000       2.16741000       2.49043000       1.15501678       1.25745868       0.82744731
O        0.66079000       1.05424000       4.28816000      -0.43466550       0.20618320      -1.19094070
O        3.76756000       1.75237000       2.74011000      -0.13106316      -0.19443809       2.50928798
Zn       4.50497000       1.03548000       6.47288000       0.13404950      -0.38026337      -0.15680941
Zn       7.91726000       1.49682000       1.15800000      -0.79663058       0.29322934      -0.26422484
Zn       2.64515000      -0.36424000       3.64544000      -0.29040991       0.12476946       0.12787763
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.36705212 magmom=11.9998757 free_energy=-96.36705212 stress="0.007961132239984313 -0.0047572108474496595 -0.009203551430326801 -0.0047572108474496595 -0.010409417915281069 0.0069196730473224995 -0.009203551430326801 0.0069196730473224995 0.02634361411348339" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.89335000      -1.62072000       6.03727000      -1.22453877      -1.98256511       0.23650787
Cr       3.09965000       1.50183000       1.04991000      -2.38459015       0.41661725       0.79225584
Cr      -0.52490000      -0.68552000       4.70444000       0.47707386       0.34031616      -3.34822714
Cr       5.40091000       0.40759000       2.64288000      -1.36437690       0.66804339       1.40493257
O        0.23044000      -0.36878000       6.37616000       1.76676320      -0.33178739       1.48956516
O        4.57578000       0.30911000       0.79478000       1.09897351      -0.11678382      -0.71072764
O        2.98738000      -0.10385000       5.71912000      -0.00640739       2.13642479      -0.94054155
O        2.02848000      -0.08350000       1.69571000       0.42273423      -0.72564960      -0.65979352
O       -2.09030000       0.53395000       4.76631000      -0.04437263       0.24901255       0.01812382
O        6.28295000       2.13701000       2.56310000       1.66757600      -0.73214162       0.03388946
O        0.63173000       1.15432000       4.16653000       0.04564190       0.00102004       1.22693409
O        3.70421000       1.59352000       2.94913000       0.81120010      -0.24332597      -0.24681610
Zn       4.47563000       1.08403000       6.46266000       0.12390111      -0.66501268      -0.50122106
Zn       7.92678000       1.49210000       1.09855000      -0.02239073       0.57643339       0.43298300
Zn       2.72228000      -0.33506000       3.58576000      -1.36718734       0.40939861       0.77213520
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.2500574 magmom=12.000431 free_energy=-96.2500574 stress="-0.011405759210788754 0.011924166400868257 -0.009446821650937924 0.011924166400868257 -0.003491897564456085 0.004449781420752585 -0.009446821650937924 0.004449781420752585 0.005302676371446401" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.95600000      -1.63793000       6.05875000       1.19572367      -0.62489296       1.06743287
Cr       3.07068000       1.52164000       1.10389000      -0.59762603       0.67609708       1.30216688
Cr      -0.52086000      -0.60192000       4.56315000       2.28276188      -0.42093197       0.60370131
Cr       5.38517000       0.20566000       2.67260000       0.65895966       1.84506709       1.61929792
O        0.44557000      -0.47281000       6.56328000      -1.58786265       0.60279662      -2.14224318
O        4.58601000       0.34861000       0.84733000       0.96819212      -0.67239856       0.09190212
O        2.89085000       0.02455000       5.62668000       0.19774598       0.54327417      -0.38851366
O        1.97237000       0.02838000       1.63727000       0.19755344      -1.58845390       0.29241976
O       -1.99572000       0.56651000       4.76043000      -1.26185330       0.36360955       0.15977141
O        6.43276000       2.01733000       2.68032000      -0.40071283      -0.51558393      -1.53968883
O        0.59005000       1.26673000       4.30563000       0.23023362      -0.80164762      -0.63055871
O        3.80244000       1.39582000       3.14261000      -0.41600709       1.10219559      -1.15016130
Zn       4.44908000       1.10421000       6.42481000      -0.10491947      -0.79627817      -0.71085754
Zn       7.93279000       1.51440000       1.05473000      -0.16987429       0.48773710       0.42237466
Zn       2.73354000      -0.28632000       3.56581000      -1.19231472      -0.20059009       1.00295628
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.05288461 magmom=11.9989121 free_energy=-96.05288461 stress="-0.021765408692949018 0.0009599708671519768 -0.009508464754899013 0.0009599708671519768 -0.009925253972349064 0.004863122784870935 -0.009508464754899013 0.004863122784870935 0.007427604213858718" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33120000       1.21300000       6.14209000       0.51368856       1.65764735       0.90947349
Cr      10.85933000       1.57033000       1.20516000       1.55604770      -1.05811511      -1.42095455
Cr      -0.41177000      -0.54734000       4.42560000       0.06838301      -0.57307965       2.19687267
Cr       5.41190000       0.11708000       2.79083000       1.08335201       2.13303878      -0.15754943
O        0.44414000      -0.45207000       6.48560000      -1.50095832       0.14189007       0.75185624
O        4.72045000       0.23226000       0.92990000      -1.02190688       0.06354990      -0.42241856
O        2.81166000       0.28232000       5.46552000       1.26391433      -1.51070345       0.51122618
O        2.01887000      -0.12688000       1.61368000       0.62848494      -0.22599953       0.98582878
O        5.84939000       0.66994000       4.76493000       0.14071208      -0.60400114      -0.20891861
O        6.49084000       1.80232000       2.59223000      -0.40616534       0.86392286      -0.67601694
O        0.58295000       1.22896000       4.39822000       0.84905347      -0.50148653      -2.00834888
O        3.85574000       1.39711000       3.08904000      -1.58182838       0.28461683      -0.35623220
Zn       4.41888000       1.08809000       6.34724000       0.44509623      -0.36788757      -0.30167769
Zn       7.92716000       1.55891000       1.02648000      -1.25919679      -0.03773335      -0.41458478
Zn       2.68122000      -0.24175000       3.59510000      -0.77867663      -0.26565945       0.61144427
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.77883779 magmom=11.997692 free_energy=-95.77883779 stress="-0.019254374573632525 -0.010657265153122873 -0.011885932501306413 -0.010657265153122873 -0.01732702881167894 0.016498729257952233 -0.011885932501306413 0.016498729257952233 0.0011789038583379634" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.94650000      -1.69977000       6.27135000      -0.49033468       1.18164255      -1.35221019
Cr       3.01745000       1.54714000       1.22183000       0.51332880      -3.35788390      -1.52614651
Cr      -0.28676000      -0.55314000       4.40432000      -0.61099831      -1.39786836       1.49807196
Cr       5.49356000       0.15704000       2.88829000      -2.02727986       0.85289241      -2.36124538
O        0.23187000      -0.34398000       6.48823000       1.02150620      -0.86196967      -0.59232387
O        4.65725000       0.11788000       0.95626000       0.56311148       1.82514442      -1.11701678
O        2.86875000       0.29160000       5.46767000      -0.47129268      -1.25718123       1.35072682
O        2.15964000      -0.32486000       1.76316000      -2.11539066       1.18771648      -0.46072502
O        5.90204000       0.68070000       4.71670000       0.61048330      -0.48633582       0.19302346
O        6.42355000       1.78582000       2.43735000       0.60118208       1.45976718       1.05483847
O        0.69085000       1.10393000       4.20297000       0.40903413       0.87039931       0.67540145
O        3.69781000       1.50966000       2.95549000       1.08438930      -0.34025318       2.40110016
Zn       4.41392000       1.05625000       6.25104000       1.28450270       0.11846597       0.54059838
Zn       7.86526000       1.60353000       0.97611000      -0.31684713       0.28130576      -0.38940766
Zn       2.58699000      -0.21201000       3.65102000      -0.05539468      -0.07584192       0.08531472
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.86323249 magmom=11.9984051 free_energy=-96.86323249 stress="-0.005482581112445603 0.010567991306442613 -0.003610977057642508 0.010567991306442613 -0.0022046350971195 0.016787667583471458 -0.003610977057642508 0.016787667583471458 0.011607796293216264" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.95225000      -1.64234000       6.31066000       0.14902300      -0.16897676      -3.57618351
Cr       3.06726000       1.37011000       1.18033000      -2.05327955       1.02407346       1.24167447
Cr      -0.18805000      -0.64121000       4.47764000      -0.97494520       0.02784087      -0.26911764
Cr       5.48659000       0.27783000       2.85209000      -1.96356904       1.30456244      -1.15584445
O        0.26909000      -0.37020000       6.41632000       0.53613358      -0.99496907       0.62882045
O        4.56988000       0.24643000       0.82727000       0.95182139      -0.72389878       2.29526920
O        2.81874000       0.04478000       5.76345000       0.41709432       0.23353558      -0.23068549
O        2.06526000      -0.34568000       1.76507000       0.51204222       0.20514043      -1.06836265
O       -1.76935000       0.58015000       4.65443000      -0.65298697      -0.19840813       0.87041586
O        6.39872000       2.03656000       2.51557000       1.02282210      -0.56711956       0.01091285
O        0.80915000       1.08765000       4.15612000       0.00372024      -0.16375032       1.12358720
O        3.70023000       1.58545000       3.10618000       0.71479384      -0.52779084      -0.20348612
Zn       4.47354000       1.03441000       6.17610000       0.60926826      -0.12408777       0.37796125
Zn       7.77801000       1.65617000       0.90170000       0.09542764       0.32371698       0.14794657
Zn       2.48469000      -0.18460000       3.71961000       0.63263416       0.35013146      -0.19290799
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.61207932 magmom=11.9990931 free_energy=-96.61207932 stress="-0.02953489114475537 0.01811880195549537 0.0077201694366404285 0.01811880195549537 -0.020342193162028697 0.0128217592450841 0.0077201694366404285 0.0128217592450841 0.03438122766545865" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.94627000      -1.64254000       6.21811000       1.45199108      -2.79290604       1.69152683
Cr       3.01548000       1.27212000       1.20533000      -0.10967351       2.88226301      -0.03452049
Cr      -0.17608000      -0.72025000       4.53553000      -1.68134237       0.30374091      -0.61707508
Cr       5.41102000       0.43262000       2.76787000       0.71416665      -0.24637519       0.70990932
O        0.41397000      -0.52905000       6.42415000      -1.37995586       0.46141496       0.88769972
O        4.59687000       0.25977000       0.94047000       0.32009242      -0.99020406      -0.17299981
O        2.83591000      -0.05506000       5.95191000       1.53911017       1.81292517      -1.67939783
O        2.06557000      -0.32165000       1.57789000      -0.16173681      -1.05184655       1.09316044
O       -1.70293000       0.48856000       4.68820000      -1.36841361       0.57050622       0.40945452
O        6.46631000       2.17151000       2.61756000       0.18353271      -0.82664829      -0.95502462
O        0.87637000       1.05582000       4.32004000       0.24648085      -0.10916624      -0.68283690
O        3.82049000       1.57609000       3.19169000      -1.16139548      -0.17236449      -0.48040347
Zn       4.55405000       1.01918000       6.13646000       0.23664594      -0.19232948       0.16470959
Zn       7.71133000       1.70621000       0.84705000      -0.08518277       0.15425887       0.43541548
Zn       2.43287000      -0.14794000       3.76435000       1.25568059       0.19673120      -0.76961770
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.02618497 magmom=12.0000866 free_energy=-97.02618497 stress="-0.0028912726536272776 0.015580046192120795 -0.0008392398269602812 0.015580046192120795 0.0013274960028676508 0.010294330085633466 -0.0008392398269602812 0.010294330085633466 0.021321517313704644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44056000       1.14720000       6.23643000       0.42768485       0.40690343       1.86212569
Cr       2.96188000       1.33366000       1.23646000       1.67243199      -0.35210539      -0.23812938
Cr      -0.28001000      -0.76517000       4.55201000       0.68599644       1.17690151       0.25855527
Cr       5.39353000       0.54213000       2.73742000       0.09406242      -2.23911649       0.72816979
O        0.39549000      -0.61529000       6.54732000       0.16258959       0.36486865      -1.13868805
O        4.62802000       0.10911000       1.01032000      -0.24100088       0.64055491      -1.25405691
O        3.00418000       0.09478000       5.79950000      -1.01589496      -1.51079438      -0.71807629
O        2.10175000      -0.41239000       1.59898000      -1.29752392       0.62880494       1.09159875
O       -1.83330000       0.52380000       4.74528000      -0.21654986      -0.30665700      -0.53760936
O        6.50106000       2.11232000       2.58078000      -0.28957999       0.45314332      -0.02004871
O        0.90458000       1.01629000       4.37810000      -1.28044764       0.13380210      -0.68987507
O        3.74035000       1.53310000       3.12494000      -0.44687174       0.33614158       0.11225638
Zn       4.63706000       1.00878000       6.11871000       0.35617558       0.41272538       0.66295476
Zn       7.65712000       1.74629000       0.82542000       0.36797410       0.02637700       0.57850036
Zn       2.45682000      -0.10959000       3.75759000       1.02095401      -0.17154955      -0.69767723
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.57999925 magmom=12.0000937 free_energy=-96.57999925 stress="0.022326448342592117 -0.0003321610882914214 0.0012363459835101846 -0.0003321610882914214 -0.0036779419344277085 0.015613828428921237 0.0012363459835101846 0.015613828428921237 -0.025107652831629683" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.56559000       1.01848000       6.35260000      -1.72878631       1.33953057      -3.71809726
Cr       2.97625000       1.40201000       1.24370000      -1.12884550      -1.43162536      -1.10197973
Cr      -0.37197000      -0.74198000       4.57869000       2.30161117       1.32350707       0.01388391
Cr       5.39039000       0.52472000       2.74197000      -1.35962069      -2.46300930      -0.24992506
O        0.44718000      -0.61303000       6.52825000      -0.10235885      -0.28248849      -0.10112835
O        4.59479000       0.09488000       0.90640000       0.66206967       1.17262508       1.76491331
O        2.98315000      -0.01465000       5.53582000       0.80927897      -0.61487959       1.98385732
O        2.00801000      -0.41929000       1.80292000       0.09077423       0.63888413      -0.92594557
O       -1.97428000       0.53548000       4.66007000      -0.01945189      -0.47904031       0.13575410
O        6.40541000       2.08672000       2.55356000       0.07300521       1.03759131      -0.09593652
O        0.67118000       0.99908000       4.35961000       0.16480590      -0.32149876       0.37685221
O        3.61187000       1.53027000       3.01498000       1.73036334       0.54230598       1.10316139
Zn       4.73576000       1.02419000       6.13547000      -1.19971277      -0.05682015       0.29127711
Zn       7.61745000       1.78279000       0.83854000       0.66452787       0.04978801       1.07349321
Zn       2.53258000      -0.07839000       3.70840000      -0.95766035      -0.45487019      -0.55018007
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.71886467 magmom=12.0001346 free_energy=-95.71886467 stress="-0.014553099244674737 -0.004085679122400037 0.00591844119237319 -0.004085679122400037 -0.038386501676257644 0.015404862946805523 0.00591844119237319 0.015404862946805523 -0.007979417477466664" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.61079000       0.93760000       6.29534000      -1.21390673       1.68835992      -1.39708624
Cr       2.94208000       1.41169000       1.19788000       0.43293385       0.38191013      -0.09675821
Cr      -0.36614000      -0.64147000       4.61232000      -2.32358068      -2.42917452      -0.42662272
Cr       5.32717000       0.36132000       2.73171000      -0.29729889       1.79531324       0.07469880
O        0.56684000      -0.63846000       6.49369000      -1.38644388      -0.78859341       0.78226368
O        4.59226000       0.29143000       0.96631000      -0.49197989      -0.98417504      -1.37210380
O       -4.85925000      -0.29772000       5.61546000       0.54391176       0.83794143      -0.34671085
O        1.96803000      -0.28004000       1.82687000       0.38399425      -0.14231160      -1.13792574
O       -2.07608000       0.47776000       4.56758000       0.55737034       0.52842233       2.45337116
O        6.24188000       2.17289000       2.54604000       2.44256330      -1.53649989      -0.47096885
O        0.41443000       0.94784000       4.43730000       4.06254743       1.68995895      -0.84040778
O        3.75773000       1.61109000       3.00557000      -1.72877602      -0.71436451       0.59193627
Zn       4.79927000       1.05649000       6.18034000      -0.73828624      -0.11535753      -0.39050198
Zn       7.60227000       1.82144000       0.91473000      -0.14356568       0.05804998       1.02474876
Zn       2.59006000      -0.06359000       3.62694000      -0.09948293      -0.26947948       1.55206750
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.94079849 magmom=11.999935 free_energy=-95.94082385 stress="0.0013831308116913448 -0.018687633374059532 0.01459363769665113 -0.018687633374059532 -0.008804578644367147 0.01363999892164698 0.01459363769665113 0.01363999892164698 -0.0009012729815511736" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57096000       0.92544000       6.11240000      -0.63021117      -0.30672251       2.31155633
Cr       2.91230000       1.44576000       1.11672000       1.14932993       1.42125699       0.36673520
Cr      -0.43397000      -0.62366000       4.62742000       1.69412268      -1.06947640      -0.49717412
Cr       5.26381000       0.24758000       2.71502000       1.45646293       2.04279011       0.15600585
O        0.49524000      -0.75467000       6.56599000      -0.89873629       0.55330743      -2.59833461
O        4.51158000       0.32741000       0.90369000       1.07664238      -1.35585367       0.14835161
O       -4.77562000      -0.43500000       5.72686000       0.35650082       2.32913226      -1.10532788
O        2.05597000      -0.14565000       1.60105000      -1.08365109      -1.67241296       1.02663887
O       -2.04050000       0.49335000       4.78086000       0.96671873       0.27869524      -1.35031239
O        6.34565000       2.02903000       2.52423000      -0.72980101      -0.25456828       1.30089979
O        0.72854000       1.06536000       4.40585000      -0.67149506      -0.81052513      -1.54297812
O        3.68977000       1.56537000       3.09153000      -0.47569217      -0.59948634      -0.22284604
Zn       4.82579000       1.10507000       6.24084000      -1.49000734       0.13752351       1.47971344
Zn       7.58458000       1.86673000       1.05923000       0.35181236      -0.00721645      -0.65104539
Zn       2.64186000      -0.06444000       3.59866000      -1.07199569      -0.68644381       1.17811747
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.90973106 magmom=11.9984804 free_energy=-95.90973533 stress="0.005332917032414108 -0.01963656230003578 0.0027422902899470396 -0.01963656230003578 -0.024658762140888683 0.018165466436195796 0.0027422902899470396 0.018165466436195796 0.0047805506587504445" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51015000       0.93124000       6.03109000       0.87992617       1.40169549       1.12361325
Cr      10.79592000       1.51665000       1.03356000      -0.26033850      -2.86466239       0.31463291
Cr      -0.43837000      -0.68528000       4.60944000       2.90524496      -0.05263993      -1.70529949
Cr       5.28213000       0.25042000       2.71143000      -0.31873336      -0.71482476       0.71246069
O        0.31519000      -0.73604000       6.33937000       1.42549075       0.69332727       0.81312610
O        4.56092000       0.12769000       0.82795000       0.86083757       1.37577951      -0.06194274
O        3.11648000      -0.20853000       5.69056000      -0.64553646       0.07228559       0.23106856
O        2.06233000      -0.24028000       1.48176000      -0.41675381       0.29692706       0.61994092
O       -1.83868000       0.56115000       4.81218000      -2.14260905      -0.70619613      -0.04454421
O        6.32936000       1.82799000       2.70495000      -0.13242688       1.81038300      -0.98832424
O        1.01556000       1.06660000       4.17196000      -2.00885033      -0.71376234       0.09435277
O        3.57404000       1.46152000       3.06081000       1.82314151       1.03645908      -1.34133780
Zn       4.78637000       1.16314000       6.35715000      -1.03613466      -0.45807895       0.42013470
Zn       7.58003000       1.90665000       1.17718000       0.21975991      -0.14531130      -0.69524593
Zn       2.63929000      -0.10693000       3.63724000      -1.15301781      -1.03138120       0.50736451
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.72514549 magmom=12.0001266 free_energy=-96.72514549 stress="-0.010470523101019652 0.0007336156231097091 0.003171116444991631 0.0007336156231097091 -0.01930079104796784 0.017084115249623798 0.003171116444991631 0.017084115249623798 0.01737150026949139" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51243000       1.01259000       6.03364000      -0.83809847       2.65708075       0.94358143
Cr       2.95518000       1.45550000       0.98319000       1.11118412      -1.42128541      -0.01313235
Cr      -0.32919000      -0.74832000       4.51731000       0.15221457       0.12904042      -0.51180206
Cr       5.30355000       0.23933000       2.73185000      -0.20075177       1.12454254      -0.06684380
O        0.43565000      -0.57205000       6.27002000       0.10264488      -0.79065300       0.71435184
O        4.67123000       0.11433000       0.76380000      -0.44601401       0.72810867      -0.17616200
O        2.99812000      -0.01406000       5.70058000       1.57047541      -1.34480047      -0.82629055
O        2.07909000      -0.30106000       1.48238000       0.03583819       0.55527051       0.76976122
O       -1.89548000       0.50585000       4.78614000      -0.37999405      -0.42134504       0.05300487
O        6.24465000       1.94928000       2.71201000       1.44095333       0.17875132      -1.28700194
O        0.89220000       0.93947000       4.05232000      -0.79767569       0.25514170       0.82500152
O        3.73489000       1.52488000       2.81027000      -1.36539949      -0.94156559       1.35461109
Zn      -2.59351000      -1.71802000       6.46936000      -0.42214996      -0.36170473      -0.46667731
Zn       7.58346000       1.92541000       1.23401000      -0.08715327      -0.22398992      -0.53211010
Zn       2.58925000      -0.18571000       3.68854000       0.12392619      -0.12259175      -0.78029187
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.62468797 magmom=12.0002919 free_energy=-96.62468797 stress="-0.01427097713395869 0.02004285691296988 0.016866118335010474 0.02004285691296988 -0.005938390634641322 0.013314088180458363 0.016866118335010474 0.013314088180458363 0.004094944623972883" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50620000       1.19013000       6.08068000       0.98172977      -0.77524949      -0.54245496
Cr       3.01711000       1.33882000       0.95729000       0.62202177       1.15550134       1.05945042
Cr      -0.25960000      -0.79641000       4.42115000      -2.33903752      -0.11900009       1.54312660
Cr       5.31177000       0.27590000       2.74493000      -0.44095366       0.79009880      -0.35940717
O        0.58819000      -0.53771000       6.33758000      -2.00097327      -0.24818242      -1.21279418
O        4.65141000       0.22183000       0.69469000       0.24454541      -0.38753711       1.20640982
O        3.04029000      -0.03084000       5.61177000       0.12585626       0.21611118      -0.25571510
O        2.17212000      -0.28533000       1.58886000      -0.94292752      -0.92043374       0.37881930
O       -1.96678000       0.39088000       4.73130000       0.64010980       0.45334532      -0.48382731
O        6.33743000       2.09900000       2.54896000      -0.65126146      -1.14295400       1.29125369
O        0.66208000       0.88876000       4.14369000       1.85739331       0.83466794      -0.29064027
O        3.70680000       1.47049000       2.78845000      -0.06714359       0.25882724       1.59899024
Zn      -2.68005000      -1.70331000       6.53576000      -0.16937111      -0.20695807      -1.14958771
Zn       7.59244000       1.92460000       1.24317000       1.69114001      -0.11245280      -1.71687195
Zn       2.55304000      -0.25607000       3.69458000       0.44887182       0.20421590      -1.06675144
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.75658616 magmom=11.9996693 free_energy=-96.75658616 stress="-0.007927352524753555 0.026085010383644216 0.0022828881301324255 0.026085010383644216 -0.0019185296427962958 0.010745177439553362 0.0022828881301324255 0.010745177439553362 -0.007846445701924451" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.75794000      -1.58928000       6.10503000      -0.78790666      -2.55148562      -1.12409913
Cr       3.09839000       1.28951000       1.00934000      -1.99279600       1.49141617       1.40257156
Cr      -0.32848000      -0.83845000       4.42064000       0.18160577       0.95390332       1.31021295
Cr       5.30060000       0.36084000       2.74673000      -0.36004891      -1.33171367       0.08942733
O        0.43919000      -0.57782000       6.27046000       0.37887150       0.47632872       1.45539702
O        4.62778000       0.23149000       0.78408000       1.22573254      -1.04038733      -0.09967827
O        3.09506000      -0.03063000       5.52443000      -0.04014737       1.04845989       1.10706685
O        2.17462000      -0.39366000       1.70000000      -0.24438399       0.06299836      -1.08332429
O       -1.88563000       0.38625000       4.56390000      -0.44804652       0.32079035       1.40675629
O        6.30397000       2.00762000       2.60794000       0.64511393       0.28553803      -1.64519771
O        0.73492000       0.97737000       4.24075000       0.95784428      -0.10442624      -0.51659599
O        3.67639000       1.45952000       3.00494000       0.33268021       0.46224737      -0.77150014
Zn      -2.77651000      -1.69504000       6.53474000      -0.25347241      -0.26730002      -1.20285503
Zn       7.67913000       1.91227000       1.17087000       0.29634581      -0.03697783       0.00162099
Zn       2.53982000      -0.31549000       3.64464000       0.10860783       0.23060850      -0.32980242
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.24739945 magmom=11.9999985 free_energy=-96.24739945 stress="-0.026201714583151656 0.00043312827748884355 -0.014696040807438053 0.00043312827748884355 -0.026032821430869303 0.010799913152745963 -0.014696040807438053 0.010799913152745963 0.00025406004850872933" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.75551000      -1.58526000       6.07140000      -1.28653439      -1.14299518       2.22072417
Cr       3.09914000       1.31530000       1.16361000       0.76306284      -0.59028270      -1.57649437
Cr      -0.42312000      -0.82978000       4.51426000       2.88536446       1.55851886      -0.15861002
Cr       5.27877000       0.38247000       2.75778000       1.59168682      -1.81113767      -0.30513521
O        0.35607000      -0.54793000       6.42179000       1.10072854       0.13490371      -0.38012290
O        4.71773000       0.06818000       0.88926000      -0.66899999       0.83230459      -0.66423735
O        3.06771000       0.13412000       5.66492000      -0.49839530      -0.76267159      -0.46157964
O        9.49083000       2.42736000       1.60885000       0.10884836       1.49756757       0.52090152
O       -1.82683000       0.45704000       4.57797000      -1.59804137      -0.84238203       1.27260890
O        6.32291000       1.94463000       2.50065000       0.96688765       1.29461445       0.30608497
O        0.99655000       1.07770000       4.28855000      -1.98892351      -0.93972790      -0.89035927
O        3.75190000       1.53535000       3.09129000      -0.87480151      -0.20921731      -0.27235939
Zn      -2.91255000      -1.69175000       6.46943000       0.65842344       0.21986821       0.27568163
Zn       7.80922000       1.88431000       1.05514000      -1.45508810      -0.43781905      -0.38423561
Zn       2.53530000      -0.36856000       3.56167000       0.29578204       1.19845604       0.49713257
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.33738833 magmom=11.999582 free_energy=-96.33738833 stress="-0.027691470817896982 0.008649545543287458 -0.01570020935484618 0.008649545543287458 -0.018469751746361274 0.006543190434750851 -0.01570020935484618 0.006543190434750851 0.023453444952428057" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.84377000      -1.66133000       6.14217000      -0.68850420      -0.18124894       1.36488030
Cr       3.12895000       1.33260000       1.24093000       0.98161685       0.62348190      -2.61509817
Cr      -0.39172000      -0.74123000       4.63198000       1.03048928       0.12768468      -0.78448890
Cr       5.36141000       0.30922000       2.75333000       2.12530439       0.82453800       0.32135202
O        0.51977000      -0.49966000       6.53891000      -1.50825177      -0.12652315      -1.17789329
O        4.68978000       0.04749000       0.92483000       0.39631803       1.55439226      -0.20963996
O        2.88193000       0.12256000       5.76223000       1.52355394      -1.50749065      -1.24223929
O        2.25747000      -0.31567000       1.54547000      -1.66223409      -0.89150911       0.76346487
O       -1.95416000       0.45463000       4.80713000       0.40103960       0.42428277      -0.64424480
O        6.46420000       2.08310000       2.44932000      -0.71051288      -0.61119878       1.53860811
O        0.92648000       1.02439000       4.25798000      -1.45294783      -0.16834358       0.08406610
O        3.76570000       1.55517000       3.07239000      -0.13351328      -0.70019332       0.78996634
Zn      -3.03504000      -1.66857000       6.40327000       1.00836427       0.01919038       0.07565964
Zn       7.89061000       1.82552000       0.90106000      -0.79755051       0.10231947       0.25995771
Zn       2.53859000      -0.36922000       3.49702000      -0.51317180       0.51061808       1.47564933
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.41500205 magmom=11.9997352 free_energy=-96.41500205 stress="-0.017010440251207543 0.007515168554879965 -0.0071656757943874255 0.007515168554879965 -0.020587772116865483 0.009678849053643614 -0.0071656757943874255 0.009678849053643614 0.021989686001290077" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35717000       1.15860000       6.26714000       1.67900857      -0.18326570      -2.52423251
Cr       3.19699000       1.38373000       1.17972000      -1.96248734       1.39965862       1.11323786
Cr      -0.33041000      -0.65444000       4.70008000      -1.71498267      -1.66240492      -1.41960840
Cr       5.55622000       0.28085000       2.77356000      -2.13935241       1.79915088       1.82630959
O        0.46731000      -0.50304000       6.49206000      -1.32604543      -0.78720057       1.37757030
O        4.69026000       0.26414000       0.93121000       1.17036727      -1.06018420      -0.48200945
O        2.84821000      -0.14185000       5.64138000       0.76120098       0.93746760      -0.05824280
O        2.12719000      -0.23428000       1.59085000       0.45121042      -0.64444450      -0.19639790
O       -1.95637000       0.51854000       4.88032000       0.09712109       0.06912507      -0.48176814
O        6.45661000       2.09141000       2.68133000       1.27939880      -1.44463859      -0.35662220
O        0.61445000       0.94693000       4.29455000       1.71654292       1.56431832       0.52616275
O        3.77387000       1.47162000       3.09409000      -0.01048592       0.21103844      -0.48092773
Zn      -3.09983000      -1.63983000       6.34389000       0.28744152      -0.70055713      -1.12715396
Zn       7.92123000       1.76917000       0.76769000      -0.28959289       0.47192829       0.83202227
Zn       2.52302000      -0.33965000       3.50827000       0.00065509       0.03000839       1.45166030
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.50845014 magmom=11.9992491 free_energy=-96.50845014 stress="0.015334277183331125 -0.005602611468339809 -0.022328235086926565 -0.005602611468339809 -0.0062560298470684065 0.0048672205478233884 -0.022328235086926565 0.0048672205478233884 -0.02514461936779748" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.35850000       1.07729000       6.24085000       0.03293711       0.29277834      -0.47171603
Cr       3.17061000       1.48402000       1.18529000      -0.23143640      -0.64846448       0.97972294
Cr      -0.36551000      -0.66215000       4.68570000       0.08096743      -0.16084839       0.53642675
Cr       5.62178000       0.33415000       2.87395000      -2.94254871      -1.10456420      -0.47030264
O        0.27231000      -0.60359000       6.60839000       1.11066041       0.26595618      -0.75495499
O        4.78963000       0.28589000       0.87370000      -0.18920521      -0.50531076       0.23217669
O        2.92934000      -0.21483000       5.54532000      -0.07468918       0.74750679       0.75992415
O        2.11692000      -0.28055000       1.60414000       0.43318704       0.15168185       0.37285252
O       -1.89889000       0.57339000       4.80381000      -1.12884766      -0.65005360       0.58241936
O        6.53450000       1.94022000       2.82659000       0.70547954       1.81296697      -1.80022743
O        0.61918000       1.08449000       4.45741000       1.22196783      -0.61798986      -0.82196435
O        3.79623000       1.45029000       3.01676000       0.33993507       0.46871452       0.78172725
Zn      -3.13612000      -1.64685000       6.25246000       0.34016300      -0.52057683      -0.55085870
Zn       7.93089000       1.74338000       0.70251000       0.06283403       0.46067962       0.66354305
Zn       2.51166000      -0.31457000       3.58107000       0.23859571       0.00752385      -0.03876856
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.41008181 magmom=11.9985489 free_energy=-96.41008181 stress="0.008137405577351438 -0.0036842200375215963 -0.027402023971663237 -0.0036842200375215963 -0.0048619342267711115 0.002195082960481557 -0.027402023971663237 0.002195082960481557 -0.016145601767103255" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38377000       1.01929000       6.19783000       0.36917026       0.94171456       1.95507798
Cr       3.12914000       1.54305000       1.25532000       1.57039679      -2.54970550      -0.89035923
Cr      -0.41136000      -0.71051000       4.68315000       1.74326397       0.22767467      -0.42221947
Cr       5.52005000       0.36236000       2.93961000       0.21128578      -0.10826585      -3.22400114
O        0.35407000      -0.64281000       6.59681000       0.18179550       0.20407411      -0.79266062
O        4.78870000       0.15632000       0.85863000      -0.12290174       0.92242761       0.52184776
O        2.96521000      -0.13919000       5.60833000      -0.50755084      -0.57671741      -0.04371409
O        2.22393000      -0.27854000       1.68124000      -1.36273621       0.71600028       0.39376830
O       -1.97135000       0.52009000       4.78595000       0.09122473      -0.00720716       1.13352757
O        6.64567000       2.04732000       2.70802000      -1.43859323       0.04677351       0.41096448
O        0.79714000       1.12759000       4.43875000      -1.38973358      -1.16691325      -1.47972101
O        3.89635000       1.53838000       3.04616000      -0.48583987       0.23071071       1.18492378
Zn       4.14527000       1.23613000       6.13362000       1.36798916       0.53221640       0.82226534
Zn       7.94324000       1.73840000       0.67518000      -0.08009615       0.42145941       0.82140246
Zn       2.51548000      -0.28639000       3.65857000      -0.14767456       0.16575791      -0.39110210
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.94935991 magmom=12.0003487 free_energy=-95.94935991 stress="-0.027766697162131006 -0.013495964788952687 0.0047595514757869575 -0.013495964788952687 -0.034602823271954714 0.01096543544695319 0.0047595514757869575 0.01096543544695319 0.05388615276191652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44192000       1.00886000       6.25247000       0.10362655       1.44496341      -1.16810966
Cr       3.15427000       1.46429000       1.31136000      -0.74687776      -0.69009583      -0.05822019
Cr      -0.37293000      -0.77408000       4.64685000       0.47927730       0.34435910      -1.79134251
Cr       5.39135000       0.40109000       2.84082000       2.34384197       1.51861256       0.44249354
O        0.58031000      -0.62894000       6.42261000      -2.40607398      -0.87744594       1.87984682
O        4.67382000       0.14725000       0.95283000       0.40600327       1.28721884      -0.28783622
O        2.88256000      -0.15322000       5.71746000       1.25451929      -0.55449540      -0.55887903
O        2.20760000      -0.17056000       1.81797000      -0.16932804      -1.05328321      -0.89820729
O       -1.99347000       0.44690000       4.87827000       0.44334642       0.44983438      -0.43008606
O       -0.87381000      -0.66962000       2.62904000      -0.18649703      -1.53498374       0.43284928
O        0.74579000       0.90336000       4.16691000       0.00017274       0.41983597       1.85407305
O        3.93051000       1.69501000       3.28152000      -2.32413058      -1.30421182      -0.70732608
Zn       4.20369000       1.22699000       6.01411000       1.75211513       0.49425609       0.76386555
Zn       7.95722000       1.75322000       0.69032000      -0.35018587       0.35204174       0.72573280
Zn       2.50903000      -0.23931000       3.74744000      -0.59980939      -0.29660614      -0.19885402
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.51545233 magmom=11.9988702 free_energy=-95.51545233 stress="-0.05021002980297639 -0.009796441120307227 0.010055018929159 -0.009796441120307227 -0.04877768821203861 0.014173427258388816 0.010055018929159 0.014173427258388816 0.04269745302851944" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49088000       1.05451000       6.26885000      -1.68936605      -1.43284896       0.15663918
Cr       3.13255000       1.34074000       1.36226000      -2.81600378       2.79776474      -0.66006096
Cr      -0.30617000      -0.83431000       4.51627000      -1.17736159      -0.39900598       1.03466628
Cr       5.35798000       0.51571000       2.75304000      -1.80506288      -1.46673705       3.11076593
O        0.49622000      -0.70252000       6.51394000      -0.12968676       0.41444596       0.44209750
O        4.60258000       0.30964000       1.01208000       1.55464023      -1.87885603      -1.20584760
O        2.95404000      -0.25941000       5.74105000       0.81773764       1.18452603       0.04576141
O        2.14912000      -0.23467000       1.79244000      -0.36207917      -1.26085857      -0.16731031
O       -1.88087000       0.46019000       4.85192000      -0.77804171      -0.29115574      -0.54860543
O        6.12794000       2.15821000       2.65793000       3.39969412       0.29518661      -0.74765994
O        0.65536000       0.73001000       4.21685000       1.69114562       2.34475813       0.55639369
O        3.61499000       1.68430000       3.37102000       0.64074667      -0.73903593      -1.30908300
Zn       4.36585000       1.25275000       5.92428000       0.89449824       0.13136596       0.78971635
Zn       7.96229000       1.78484000       0.74501000      -0.19894397       0.21215699      -0.28329513
Zn       2.47306000      -0.19521000       3.83159000      -0.04191660       0.08829383      -1.21417797
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.21291607 magmom=12.0009802 free_energy=-96.21307999 stress="-0.003115211703381261 -0.0004854446132235061 -0.020209545320810117 -0.0004854446132235061 0.004350082762111417 -0.00037632093876076116 -0.020209545320810117 -0.00037632093876076116 -0.0022350553013387228" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44916000       1.04188000       6.28903000       0.12399987      -0.15045725       1.18587522
Cr       2.99256000       1.34201000       1.34936000       1.02119460      -0.49963016      -2.18979894
Cr      -0.29409000      -0.87581000       4.44871000       0.25497846       1.80679992       1.38248204
Cr       5.27532000       0.53682000       2.80999000       0.46774455      -2.05531748      -0.21725511
O        0.41571000      -0.70336000       6.67539000       0.42183210       0.34555111      -1.61724999
O        4.68128000       0.20047000       0.97501000      -0.82509318      -0.31398865       0.64914168
O        3.11870000      -0.19386000       5.77325000      -1.12495683       0.10161622      -0.15706367
O        2.10144000      -0.43798000       1.72986000      -0.26013512       1.43217365       1.15333180
O       -1.88067000       0.43845000       4.69772000      -0.59571304      -0.40707330      -0.07660301
O        6.34231000       2.09719000       2.60122000      -0.06176290       0.45937199      -0.14974545
O        0.76594000       0.90710000       4.42414000       0.01150163      -0.30068878      -0.62354813
O        3.45909000       1.53750000       3.20105000       1.97909587       0.16757068       0.62697125
Zn       4.54257000       1.28558000       5.89462000      -0.29527764       0.01014308       1.72561905
Zn       7.95128000       1.81327000       0.77453000      -1.46973687      -0.34871219      -1.15892690
Zn       2.43837000      -0.15775000       3.85385000       0.35232850      -0.24735885      -0.53322983
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.33185562 magmom=11.99952 free_energy=-96.33185564 stress="0.0028182609903179036 0.016438385292908152 -0.005281001688674747 0.016438385292908152 0.0040442389034266455 0.00038313725966959266 -0.005281001688674747 0.00038313725966959266 -0.017592336690024933" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41647000       1.02523000       6.36744000       2.07592228       1.01831663      -0.38552549
Cr       2.91463000       1.33198000       1.23378000       1.30098671      -0.52700522       0.98348524
Cr      -0.28669000      -0.82614000       4.46049000       0.32846440       1.06133186       0.53773975
Cr       5.24790000       0.43306000       2.83163000       2.21925103      -1.59837722      -2.32489395
O        0.47351000      -0.64005000       6.57981000      -1.46289763      -0.52093017      -0.67904814
O        4.58753000       0.03936000       1.03346000      -0.41474392       0.84295672      -0.78093056
O        3.04820000      -0.10816000       5.79878000      -0.35100194       0.05181175      -0.05963520
O        2.07923000      -0.37412000       1.83302000      -0.67134801       0.05206569      -0.21392759
O       -1.93780000       0.38920000       4.57852000       0.65847008       0.53694825       2.03309584
O        6.50442000       2.11454000       2.57274000      -1.15896672      -0.68841006      -0.03706692
O        0.82625000       1.03293000       4.50456000      -0.67462404      -0.97225866      -1.31015943
O        3.67236000       1.43412000       3.08971000      -0.75940579       1.17229179       0.90558354
Zn      -2.63086000      -1.60048000       5.94975000      -0.93539831      -0.43915810       1.16349126
Zn       7.87997000       1.81786000       0.75195000      -0.73801188       0.08244165       0.32612090
Zn       2.42627000      -0.13636000       3.84559000       0.58330373      -0.07202490      -0.15832925
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.65274593 magmom=11.9997021 free_energy=-96.65274593 stress="-0.007216197777388015 0.00947928868941838 0.021435651284720084 0.00947928868941838 -0.014988783301561956 0.015158419081083124 0.021435651284720084 0.015158419081083124 0.02236892790390666" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47573000       1.06186000       6.40553000      -1.35463220       1.12175921      -3.11890131
Cr       2.90663000       1.29090000       1.16847000      -0.84401405       0.72291175       1.82308996
Cr      -0.27060000      -0.71806000       4.49859000      -0.13270371      -0.59702979       0.06844718
Cr       5.35924000       0.25289000       2.74134000       0.62718518       0.69889223       0.71183880
O        0.38365000      -0.63205000       6.42015000      -0.14001697      -0.01590441       1.33209509
O        4.39916000       0.05756000       0.97248000       1.61565318       0.65196386       0.21479091
O        2.88927000      -0.02679000       5.82292000       1.61631592      -0.81524891      -0.23219525
O        2.00403000      -0.26974000       1.86592000      -0.19360352      -1.23291276      -0.82971210
O       -1.88263000       0.45363000       4.72279000      -0.38473576       0.06855844      -0.20143632
O        6.39578000       1.96869000       2.57829000       0.26313983       0.04293811      -0.76674211
O        0.74064000       0.97840000       4.38170000       0.84601476       0.32571979      -0.21606740
O        3.83361000       1.50933000       3.09651000      -1.53959166      -0.80560981       0.03919324
Zn      -2.55610000      -1.59102000       6.06558000      -0.58372008      -0.46306802       0.06365497
Zn       7.76702000       1.81843000       0.74623000      -0.20383093       0.31803067       1.39942895
Zn       2.44230000      -0.12253000       3.83039000       0.40854000      -0.02100035      -0.28748463
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.67155053 magmom=12.001712 free_energy=-96.67155053 stress="0.0020348551637035597 0.009194902059327317 0.00858460038140634 0.009194902059327317 -0.013191237904499574 0.017669544619783782 0.00858460038140634 0.017669544619783782 0.03274233734218774" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47494000       1.15364000       6.27488000      -1.44515535      -0.42977568      -0.51257693
Cr       2.86455000       1.29284000       1.21734000       0.52832530       1.08655763       0.02523117
Cr      -0.26766000      -0.64931000       4.54662000      -0.19668470      -1.49769243       0.23312122
Cr       5.50042000       0.10200000       2.67564000      -3.56958918       1.50824510       0.69730350
O        0.30931000      -0.61181000       6.48052000       0.71740836       0.31945207      -0.46623309
O        4.46103000       0.18560000       0.88965000       0.89247699      -0.83176296       0.83149696
O        2.93145000      -0.06579000       5.82412000       0.55330669       0.22394696      -0.53993274
O        1.95342000      -0.36871000       1.71626000       0.19622440      -0.17348667       0.34262546
O       -1.83756000       0.54195000       4.81785000      -0.36791338      -0.41947081      -0.89578318
O        6.32902000       1.81168000       2.49084000       2.40336329       0.36943947      -0.28590824
O        0.74909000       0.97751000       4.24495000       0.63057147       0.90983884       0.49709248
O        3.71198000       1.48675000       3.07790000      -0.36959641      -0.58549539      -0.03696628
Zn      -2.51358000      -1.60170000       6.19300000      -0.53507281      -0.43458446      -0.33545336
Zn       7.64102000       1.82810000       0.80979000      -0.14731379       0.07128456       0.99316942
Zn       2.48340000      -0.11070000       3.79646000       0.70964913      -0.11649622      -0.54718638
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.00498556 magmom=12.0000532 free_energy=-96.00498556 stress="0.00884287515874854 0.008350259538377107 0.0024663872251655316 0.008350259538377107 0.0030402477958814565 0.01696000939424019 0.0024663872251655316 0.01696000939424019 -0.009602589184154946" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40615000       1.22621000       6.12212000       1.84624271      -1.05617678       2.27263942
Cr       2.85351000       1.34627000       1.26319000       2.26674715      -1.20220975      -2.97886673
Cr      -0.28195000      -0.66819000       4.60790000       0.69714764      -0.13947831      -1.05090367
Cr       5.48465000       0.04077000       2.64169000      -0.80730521       0.96878562       0.56718185
O        0.41122000      -0.52257000       6.48060000      -0.63190659       0.03374679      -0.71023007
O        4.65372000       0.15180000       0.91734000      -1.03694142      -0.36380543      -0.24854136
O        3.01617000      -0.08885000       5.74614000      -0.33335223       0.97569112      -0.35402070
O        9.30121000       2.45875000       1.59167000      -1.13168967       1.59147161       0.74811318
O       -1.82649000       0.55373000       4.72513000      -0.65379030      -0.45482515      -0.02122477
O        6.51087000       1.74497000       2.43001000      -1.85170388       0.47919987       2.18567951
O        0.83227000       1.12411000       4.25417000      -0.83306043      -0.54492009       0.07268822
O        3.52880000       1.38539000       3.01449000       2.03831401       1.01300993       0.99125008
Zn      -2.49820000      -1.63226000       6.30224000      -0.72922370      -0.55495317      -0.73703155
Zn       7.51332000       1.83678000       0.91596000       1.26992126      -0.01775908      -1.05523439
Zn       2.55575000      -0.10969000       3.73794000      -0.10939934      -0.72777717       0.31850098
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.3120732 magmom=11.9997635 free_energy=-96.3120732 stress="-0.0016220027406856042 -0.0007811722713661009 -0.0007649650819321206 -0.0007811722713661009 -0.023894287223392745 0.02454658985746698 -0.0007649650819321206 0.02454658985746698 -0.012668406707785608" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.44924000       1.24991000       6.09912000       1.56449955       0.05047904       1.39475128
Cr       2.95853000       1.36034000       1.14965000      -0.03678888      -0.03185873      -0.84757206
Cr      -0.29334000      -0.72003000       4.61530000      -0.66282977       0.37054879      -1.55116167
Cr       5.41741000       0.05464000       2.64479000      -0.59043869       2.01334254       2.17216591
O        0.48060000      -0.43091000       6.35952000      -1.03687754      -0.74122713       1.44124408
O        4.63457000       0.01665000       0.90047000      -0.05213578       1.34302272      -1.11559361
O        2.97091000       0.05855000       5.62764000       0.47843465       0.18801186       0.41245288
O        2.01996000      -0.27978000       1.56686000      -0.25841008      -0.91829421       0.49049479
O       -1.87589000       0.47612000       4.63032000      -0.60948359      -0.29823993       1.94039525
O        6.34781000       1.79164000       2.72423000       1.41600569       0.55979318      -2.22649476
O        0.76800000       1.18561000       4.32390000       0.25759148      -1.06744556      -1.28039161
O        3.68309000       1.47288000       3.00657000      -0.32429967      -0.82339862      -0.02220377
Zn      -2.52033000      -1.69399000       6.37638000      -0.69074367      -0.44123031      -1.47557519
Zn       7.42350000       1.83833000       1.00325000       0.88735085       0.03703112       0.96213723
Zn       2.63672000      -0.14658000       3.68163000      -0.34187454      -0.24053476      -0.29464875
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.31659443 magmom=11.9997806 free_energy=-96.31659443 stress="-0.010007697666936271 0.025311368836321495 0.016802270218222372 0.025311368836321495 -0.007866678908163482 0.013178100002144283 0.016802270218222372 0.013178100002144283 0.001206263476142218" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.72009000      -1.63931000       6.15261000      -2.83016885       0.82488505      -1.75468886
Cr       3.06707000       1.36078000       0.95932000      -2.01563859       0.30898939       2.75085523
Cr      -0.35209000      -0.77303000       4.55050000       0.93610020       0.46996498       1.26681797
Cr       5.33109000       0.20378000       2.76435000      -0.02421525       1.18120779       0.55113207
O        0.42902000      -0.45776000       6.40263000       0.31830420      -0.20750234      -1.27878770
O        4.58352000       0.12084000       0.74815000       1.76773417       0.92191816       1.47086773
O        2.95821000       0.22378000       5.57367000       1.80502118      -1.83324673      -0.23124954
O        2.07933000      -0.19013000       1.62137000       0.08170323      -1.29053161      -0.10772333
O       -1.98237000       0.36094000       4.83621000      -0.04579940       0.64228037      -0.30116215
O        6.28386000       1.94596000       2.74127000       1.00771734      -0.37815764      -1.39913110
O        0.70456000       1.06409000       4.25469000       0.51262849      -0.18236661       0.05967464
O        3.82546000       1.46201000       2.95960000      -1.50903391      -0.28158159      -0.08991185
Zn       4.71855000       1.13014000       6.39432000      -0.28087762      -0.14808096      -0.61710757
Zn       7.37495000       1.83636000       1.12994000       1.52816951       0.18771065      -0.10753591
Zn       2.70752000      -0.20973000       3.60273000      -1.25164470      -0.21548891      -0.21204962
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.51565532 magmom=12.000194 free_energy=-96.51565867 stress="-0.0010286069766622325 0.029978435489850835 0.017170270307816492 0.029978435489850835 0.01705566667572235 0.008725407928508951 0.017170270307816492 0.008725407928508951 0.007206763986004608" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.71668000      -1.60240000       6.10669000      -0.56599535      -1.13602956      -1.28251645
Cr       3.05381000       1.37231000       0.93389000      -0.12414486       0.67938942       1.91693388
Cr      -0.36677000      -0.79605000       4.54694000       1.25528937       0.49898756       0.95887892
Cr       5.27996000       0.38833000       2.89325000       0.71004545      -1.44591578      -1.32192136
O        0.47525000      -0.52529000       6.32207000       0.33248633       0.32636347       0.27092859
O        4.73855000       0.36938000       0.77549000      -0.02476648      -1.02349799       0.37433325
O        3.08411000       0.09457000       5.54821000      -0.69040550      -0.34309886      -0.18484895
O        2.19708000      -0.31333000       1.59852000      -0.83038508      -0.19455755      -0.65823842
O       -2.00697000       0.37764000       4.93219000       0.55697654       0.52103069      -1.56226868
O        6.31154000       2.03863000       2.65275000      -1.06103346       0.19984087       1.64680645
O        0.70873000       0.93790000       4.24660000       0.15434738       0.56137460      -0.24423262
O        3.69844000       1.44638000       2.88317000      -0.15324735       1.41269090       0.76721634
Zn       4.65394000       1.05646000       6.38758000      -0.10626249       0.07322343       0.44809109
Zn       7.41694000       1.83398000       1.20958000       1.94354827      -0.02174077      -1.88671598
Zn       2.71076000      -0.27522000       3.53060000      -1.39645278      -0.10806043       0.75755396
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.38783458 magmom=12.0012271 free_energy=-96.38783458 stress="-0.02486125834248598 0.021026083356015482 0.002394446929380634 0.021026083356015482 -0.024501185724704343 0.01419767389230899 0.002394446929380634 0.01419767389230899 0.0004177826846991276" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54851000       1.27337000       5.99730000       0.55365614      -2.46737691       1.80514584
Cr       3.04378000       1.40278000       1.02234000       2.35858911      -0.24936072      -0.84369952
Cr      -0.31018000      -0.78144000       4.60435000       0.06614504       1.19361234      -0.09982401
Cr       5.27115000       0.47628000       2.92574000      -0.90921536      -0.92543655      -1.76547784
O        0.59951000      -0.53065000       6.32455000      -1.09206961       0.46004474       0.93418322
O        4.79379000       0.40241000       0.84346000      -0.94203027      -0.86700085      -0.07880675
O        3.05594000      -0.08721000       5.51789000       0.52146809       1.64148204      -0.54139077
O        9.45736000       2.51025000       1.43081000      -1.51773493       1.32013452       0.85257353
O       -1.90338000       0.50269000       4.75841000      -0.76579404      -0.17614514       1.89994881
O        6.17973000       2.13321000       2.84002000       2.03923898       0.04977321      -1.98452817
O        0.72203000       0.94423000       4.23677000       0.48817935       0.47910130      -0.89549241
O        3.60664000       1.63495000       2.91236000       0.86650398      -0.92813248       0.60933513
Zn       4.59280000       1.00316000       6.39357000      -0.09913580      -0.23620925      -0.26729419
Zn       7.54558000       1.82680000       1.19468000      -0.00627305       0.05479248      -0.22166936
Zn       2.63927000      -0.33177000       3.50785000      -1.56152764       0.65072128       0.59699649
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.86932726 magmom=12.0009671 free_energy=-96.86932729 stress="-0.01531007338488808 -0.008566015251893508 -0.004190164313250227 -0.008566015251893508 -0.01628254828545305 0.017940438748661587 -0.004190164313250227 0.017940438748661587 0.02354743173768324" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54514000       1.11631000       5.98225000       0.62233260       1.48467270       1.76544952
Cr       3.13980000       1.43299000       1.08077000      -1.98141602       0.63751093       0.50864273
Cr      -0.26253000      -0.69690000       4.65597000      -1.40261428       0.93050062      -1.49866537
Cr       5.25413000       0.51014000       2.85658000       1.93332254      -0.60146254       0.22133712
O        0.59115000      -0.49369000       6.47260000      -0.51182948      -0.90234336      -1.74373498
O        4.62350000       0.24362000       0.89739000       1.34982227       0.07708159      -0.28995659
O        3.00874000      -0.04214000       5.43515000       0.05303839      -0.19197640       0.37093870
O        2.00944000      -0.24198000       1.40103000       2.11068322       0.23568653       1.38517770
O       -1.87647000       0.62983000       4.82992000      -0.30897808      -0.63000269       0.35318388
O       -0.96144000      -0.71081000       2.72748000       0.04810578      -0.39420314      -0.28858040
O        0.79781000       1.05498000       4.14563000      -0.56170774      -0.58647922       0.72289657
O        3.69260000       1.66754000       3.02105000      -0.57453319      -0.15512887       0.03485558
Zn       4.52488000       0.94764000       6.39028000       0.24630373      -0.02873806      -0.23850715
Zn       7.67504000       1.81012000       1.15612000      -1.17618987      -0.55943153      -0.42340626
Zn       2.48635000      -0.35694000       3.51302000       0.15366013       0.68431344      -0.87963104
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.63211912 magmom=11.9995913 free_energy=-96.63211912 stress="-0.015072079043284465 -0.017019271855548974 0.002724204293919004 -0.017019271855548974 -0.02682518825455077 0.02252127135770024 0.002724204293919004 0.02252127135770024 0.025842644120799795" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.56832000       1.02685000       6.07620000      -1.35986608       2.57782457       0.66543569
Cr       3.14869000       1.48403000       1.14629000      -0.71202794       0.16751439      -0.24774539
Cr      -0.31621000      -0.56800000       4.62650000      -0.87262909      -0.85093561      -0.72113018
Cr       5.34533000       0.50729000       2.78833000       1.07507501      -0.79940449       0.77615693
O        0.52327000      -0.58684000       6.38528000       0.28148599      -0.04802555       1.07573648
O        4.63376000       0.17201000       0.90362000       1.63412400       1.80826109      -0.83142318
O        2.96106000      -0.02002000       5.43789000       0.98025423      -1.29126296       0.19010273
O        2.19460000      -0.06023000       1.62594000      -1.37759001      -2.22157967      -0.49065152
O       -1.85231000       0.68018000       4.95724000      -0.38331775      -0.23722116      -1.28297495
O        6.48731000       2.17791000       2.55617000      -1.03857125      -0.01464771       1.08579468
O        0.76157000       1.06292000       4.23288000      -0.05398943      -0.13954483       0.11764877
O        3.77424000       1.64520000       3.08142000      -0.02995049       0.41910632      -0.50699106
Zn       4.46453000       0.89782000       6.37056000       0.76522190       0.12685624      -0.25136661
Zn       7.76271000       1.76286000       1.09553000       0.03700887       0.00139614      -0.49725014
Zn       2.33061000      -0.34175000       3.48301000       1.05477205       0.50166323       0.91865774
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.62775977 magmom=11.9976728 free_energy=-96.62775977 stress="-0.011777657316318768 -0.0025291977597180527 -0.004112368352192098 -0.0025291977597180527 -0.022404994726533962 0.019084864866354193 -0.004112368352192098 0.019084864866354193 0.006474051721476724" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53280000       1.07461000       6.19817000      -0.29901667       0.13584148      -0.99748255
Cr       3.12183000       1.53827000       1.19709000       2.30268270      -0.51654902      -1.24751640
Cr      -0.43220000      -0.50433000       4.57065000       1.68968144      -2.15319267       1.14561040
Cr       5.49236000       0.46173000       2.76148000      -1.86242387      -0.05883338      -0.00050376
O        0.51797000      -0.64432000       6.44140000      -0.71083121       0.84118481       0.96104844
O        4.85496000       0.39049000       0.80607000      -1.12187139      -0.71682737       1.08887072
O        2.99240000      -0.19688000       5.52855000       0.03798234       0.69861969      -0.04531290
O        2.22198000      -0.21271000       1.66628000      -1.03620642       0.28927406      -0.82966234
O        5.99703000       0.69290000       4.81098000      -1.81896444      -0.01510323      -0.31185205
O        6.43795000       2.13323000       2.60516000       1.47777658       0.60288432      -0.14490371
O        0.70830000       1.02826000       4.38299000       0.80776782       0.68572978      -1.43753876
O        3.88793000       1.68348000       2.98554000      -0.50822621      -0.20801409       0.22986372
Zn       4.44026000       0.86508000       6.33690000       0.56296852       0.10212926      -0.32364973
Zn       7.84279000       1.70535000       1.01271000      -0.44810009       0.07628689      -0.22809688
Zn       2.23235000      -0.29887000       3.51648000       0.92678091       0.23656947       2.14112581
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.0999553 magmom=12.0000805 free_energy=-96.0999553 stress="0.0003176579744035171 -0.009127480828360868 -0.0228630548183318 -0.009127480828360868 -0.014551938748399941 0.01857107500117131 -0.0228630548183318 0.01857107500117131 -0.03974153314520766" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46995000       1.14416000       6.26614000      -0.21380563      -0.49238801      -0.95570967
Cr       3.20866000       1.56721000       1.18705000      -0.54899962      -0.69421755       0.27530075
Cr      -0.47878000      -0.55884000       4.58499000       0.93981261      -0.51355434       0.80395116
Cr       5.53879000       0.42296000       2.72611000      -1.34109327       1.10237483      -1.13392474
O        0.45845000      -0.52180000       6.63663000      -0.50626705      -0.25423442      -2.57784350
O        4.83260000       0.45401000       0.85922000      -0.18385277      -1.17510526      -0.15221932
O        2.97773000      -0.24744000       5.62861000      -0.10153551       1.69783946      -0.49212801
O        2.13379000      -0.32238000       1.51164000       0.83150854       1.26147742       1.79912398
O        5.78759000       0.66894000       4.58212000       0.99932563      -0.27518869       2.46590681
O        6.56606000       2.17060000       2.67768000       0.45592689      -0.08256584      -0.85482298
O        0.75950000       1.06033000       4.34640000      -0.93781470      -0.49846092       0.44679872
O        3.94834000       1.69523000       2.89266000      -0.55640380      -0.47307573       1.77363535
Zn       4.44655000       0.85019000       6.29205000       0.36694648       0.18339396      -0.16460184
Zn       7.89797000       1.63958000       0.91241000      -0.49711401      -0.28175682      -0.14917771
Zn       2.18974000      -0.24266000       3.65480000       1.29336622       0.49546192      -1.08428903
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.57433826 magmom=11.9970602 free_energy=-96.57433826 stress="0.00577483939653303 -0.00311196013302855 -0.014369096210194806 -0.00311196013302855 -0.019637719363480556 0.016716601073998145 -0.014369096210194806 0.016716601073998145 0.0025830167762238266" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38964000       1.20688000       6.25851000      -0.09424364       0.62388519      -1.53324157
Cr       3.26019000       1.54772000       1.18539000      -3.43060141      -1.50474474       1.39715978
Cr      -0.47570000      -0.66915000       4.64478000       0.68539660       0.28844373      -0.71350021
Cr       5.50917000       0.44681000       2.66091000       0.80241751       0.23978438       1.89748790
O        0.36556000      -0.41063000       6.48450000      -0.20666403      -1.12776866       0.97977564
O        4.70439000       0.25730000       0.89274000       1.66537544       1.26528217      -1.07721445
O        2.85092000       0.00516000       5.67774000      -0.02387429      -0.14603919      -0.18578991
O        2.23992000      -0.19479000       1.68334000      -0.25906804      -0.30708025       0.29998517
O        5.78796000       0.57752000       4.67657000       0.76484365      -0.19563908       0.32852400
O       -0.57801000      -0.71388000       2.62756000      -1.75554128      -0.59273299      -0.47103371
O        0.65235000       1.01545000       4.41046000       0.07139467       0.73567499      -0.09726277
O        3.93756000       1.64138000       3.01514000      -0.01026083       0.09962921      -0.30635701
Zn       4.47996000       0.85711000       6.23465000       0.50393165       0.09077871      -0.17242675
Zn       7.93814000       1.54616000       0.79617000       0.54461562       0.47726437       1.25550247
Zn       2.21002000      -0.15457000       3.75863000       0.74227839       0.05326216      -1.60160859
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.94422962 magmom=11.9983856 free_energy=-95.94422962 stress="-0.045335075569715874 0.024753588696230715 -0.004883452228939178 0.024753588696230715 -0.03668371784170277 0.0050726454028157545 -0.004883452228939178 0.0050726454028157545 -0.001937315224616215" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.01268000      -1.60900000       6.17610000      -0.32942787       0.35597225       1.71521715
Cr       3.14142000       1.46588000       1.26924000       1.22334297       1.10085122      -0.37033469
Cr      -0.44274000      -0.76935000       4.66156000       0.43048096       1.52135710      -1.01055410
Cr       5.51229000       0.48556000       2.68801000      -0.28529941      -1.63057504       0.24137320
O        0.28800000      -0.46638000       6.45999000      -0.34005528       0.23910183       1.70877944
O        4.74873000       0.20897000       0.78030000      -0.40726671       0.79618590       1.05661528
O        2.72055000       0.22715000       5.68049000       2.03959474      -1.54464797      -0.70784136
O        2.35218000      -0.12215000       1.92987000      -1.90873787      -1.76186552      -1.16158036
O       -1.88152000       0.46165000       4.83174000      -2.11428493       0.28227264      -0.58979471
O        6.52493000       2.11254000       2.53315000       0.47617548       0.33871118       0.26919053
O        0.53506000       1.06698000       4.46013000       1.55121324      -0.51825452      -2.22567853
O        3.96112000       1.61208000       3.05113000      -0.38623991       0.44568621      -0.03791159
Zn       4.54022000       0.87696000       6.16869000      -0.22196368      -0.37873620      -0.17078624
Zn       7.99995000       1.45924000       0.72911000      -0.18696980       0.55786311       1.34937407
Zn       2.27247000      -0.05382000       3.79230000       0.45943808       0.19607782      -0.06606808
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.13525567 magmom=11.9999688 free_energy=-96.13525567 stress="-0.03078867571127649 0.030026607962846643 -0.011392193721367778 0.030026607962846643 -0.008190749739842915 -0.0009199344946526886 -0.011392193721367778 -0.0009199344946526886 0.016954034204067197" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.09824000      -1.51525000       6.18217000       2.28043115      -1.72894944       1.18032786
Cr       3.06531000       1.42489000       1.35135000       1.26974649       0.38057718      -1.32447970
Cr      -0.40089000      -0.78196000       4.61974000      -0.19182843       1.21113617      -1.22953805
Cr       5.49520000       0.43631000       2.73338000      -1.49022308      -0.92122756      -0.41975441
O        0.21378000      -0.48939000       6.67800000      -0.19502540       0.69985348      -1.84358781
O        4.69210000       0.34543000       0.83682000      -0.72124547      -0.49242967       0.09783861
O        2.83137000       0.16715000       5.61354000      -0.75420761      -0.18515496       1.03745618
O        2.18241000      -0.32458000       1.89650000      -0.96956326       0.37910905      -0.45579137
O       -1.93787000       0.43303000       4.78371000       0.04802623       0.34238428      -0.55661221
O        6.36896000       2.07552000       2.55239000       2.28736254       0.70489589       0.62843182
O        0.64345000       1.06541000       4.22266000      -0.38615254      -0.18844477       1.33014016
O        3.94427000       1.64102000       3.01022000      -1.01099155      -0.44813364       1.41467450
Zn       4.58864000       0.88279000       6.11753000      -0.51268674      -0.25216624       0.68241362
Zn       8.05193000       1.40465000       0.72752000      -0.12288689       0.60810381       0.93429605
Zn       2.35694000       0.04797000       3.80464000       0.46924455      -0.10955357      -1.47581525
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.21913989 magmom=11.9994792 free_energy=-96.21913989 stress="-0.014937957694108427 0.019899761122516065 -0.015680086642043206 0.019899761122516065 0.001390639521932038 0.0022520118962904294 -0.015680086642043206 0.0022520118962904294 -0.012765424326181756" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.06188000      -1.51997000       6.26910000       0.42952932      -2.32557874      -0.61657383
Cr       3.03251000       1.42568000       1.35030000      -2.54104546       1.19383379      -1.55842995
Cr      -0.37367000      -0.71673000       4.50420000       0.63560467       0.71099964       1.14986593
Cr       5.41578000       0.33809000       2.75106000       0.60957307       1.18971818       0.03653914
O        0.21191000      -0.39501000       6.60250000       0.39062921      -0.09679995      -0.42258555
O        4.48626000       0.36475000       0.96561000       1.74249972      -1.68023825      -0.41864389
O        2.80490000       0.03322000       5.73564000       0.09921369       1.10733391      -0.10002347
O        1.92585000      -0.46223000       1.72430000       2.03690146       2.07230263       1.34378355
O       -1.97329000       0.50044000       4.58429000       0.09702087       0.01657482       1.73017845
O        6.49210000       2.12772000       2.70958000      -1.27931704      -0.76047802      -2.43569775
O        0.68329000       1.03073000       4.24470000       0.08106861       0.41879975       1.31857795
O        3.76138000       1.59014000       3.14698000      -0.17403752      -0.21266054       0.10907209
Zn       4.61117000       0.87789000       6.10448000      -0.32227122      -0.40546140       0.61742800
Zn       8.09523000       1.37030000       0.76695000      -1.20779027      -0.62349767      -0.69512996
Zn       2.46340000       0.14687000       3.75848000      -0.59757911      -0.60484816      -0.05836069
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.32632861 magmom=12.0001704 free_energy=-96.32632861 stress="-0.02430173039883619 -0.019139361367468036 0.0022206896379647883 -0.019139361367468036 -0.03950859423250923 0.019724999478659227 0.0022206896379647883 0.019724999478659227 0.005155160350471144" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.98672000      -1.65000000       6.33423000       0.40740241       0.61292562      -0.29526042
Cr       2.89837000       1.47675000       1.25011000       0.82408150      -0.82486858      -0.25181678
Cr      -0.32374000      -0.61151000       4.42485000      -0.12286677      -0.29791722       1.70621303
Cr       5.37285000       0.30396000       2.77159000      -0.33564215       0.90256810       0.17520788
O        0.32895000      -0.36000000       6.44971000      -1.31091178      -1.59815555       1.66568403
O        4.46717000       0.13950000       1.03532000       0.52963055       1.62664481      -0.55084137
O        2.76453000       0.06304000       5.88582000       1.58434944       0.20517941      -0.87616027
O        1.99786000      -0.23565000       1.74907000      -0.93573657      -0.22485007       0.03431565
O        5.93112000       0.58811000       4.61883000      -0.07919406      -0.08839285       0.59661459
O        6.38170000       2.05144000       2.55367000      -0.10548385      -0.18578367      -0.51486193
O        0.67297000       1.09145000       4.52765000       0.85361321       0.43055831      -2.64255999
O        3.61004000       1.58227000       3.23744000       1.50419790       1.53116173      -1.40038786
Zn       4.61257000       0.85658000       6.12733000      -0.28563602      -0.48652540       0.33275982
Zn       8.09179000       1.31338000       0.78726000      -0.76319005       0.37524443       0.12158526
Zn       2.53068000       0.19946000       3.70583000      -1.76461376      -1.97778909       1.89950836
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.02220707 magmom=11.9999692 free_energy=-96.02220707 stress="-0.018171646791015267 -0.021787567791726952 0.008239093323811408 -0.021787567791726952 -0.02044404880508415 0.01872271790173909 0.008239093323811408 0.01872271790173909 0.014027577882629406" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38999000       1.15449000       6.36318000      -0.14910940       1.47070515      -1.13185980
Cr      10.67534000       1.51463000       1.14766000       2.27592212       0.66856488       2.27972723
Cr      -0.28769000      -0.53441000       4.45218000      -0.48527017      -0.76086469       0.63674089
Cr       5.34375000       0.33236000       2.78279000      -0.08143281       1.45995125      -0.70206878
O        0.32649000      -0.54833000       6.56577000      -0.02284148       0.35642050      -1.62541125
O        4.51753000       0.17279000       0.97858000      -0.55187269       1.06931986      -0.36934106
O        2.90872000       0.11239000       5.86095000      -0.63130984      -1.38929762      -0.85083366
O        1.97917000      -0.06878000       1.79529000      -1.24155023      -1.52305407      -0.38527635
O        6.00568000       0.65794000       4.74081000      -0.07132734      -0.02698562      -0.84758430
O        6.20559000       1.97377000       2.34783000       1.95868362       1.19202582       1.23044418
O        0.77966000       1.21008000       4.42308000       0.21559316      -0.46941200      -0.72084512
O        3.67004000       1.77169000       3.07594000      -1.54851213      -2.26798380       0.81012920
Zn       4.60800000       0.81926000       6.16879000       1.03556685       0.01708765       0.51177496
Zn       8.04792000       1.27002000       0.80657000      -0.85186996       0.47088154       0.52805613
Zn       2.51968000       0.16475000       3.73875000       0.14933030      -0.26735886       0.63634772
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.70350029 magmom=11.9999269 free_energy=-96.70350029 stress="0.016488417710657437 0.0034808770503811865 -0.003688076653527461 0.0034808770503811865 0.015885022069097466 0.002940497663514527 -0.003688076653527461 0.002940497663514527 0.009531069154145531" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46175000       1.12672000       6.30504000      -0.61456978       0.56807966      -2.17123474
Cr      10.70728000       1.57861000       1.16671000      -0.32980019      -0.35884185       0.25352560
Cr      -0.27690000      -0.50789000       4.52241000       0.77876482      -0.53177120      -1.01105625
Cr       5.32426000       0.43725000       2.73821000      -0.21585814       0.35408001      -0.08515154
O        0.37228000      -0.64520000       6.49150000       0.00067948       1.22088007      -0.85913124
O        4.45012000       0.42381000       0.88081000       0.31311509      -1.03557099       1.23927845
O        2.91897000      -0.08760000       5.70634000       0.57217317       0.33472178       1.02679514
O        1.79647000      -0.17149000       1.70227000       0.90967379       0.33355704      -0.60742748
O        6.07888000       0.71675000       4.67235000      -1.45915760      -0.51790602       0.12882697
O        6.27909000       2.10554000       2.44836000       0.43002915       0.53069780       0.58516996
O        0.86923000       1.22990000       4.18719000      -1.18802523      -0.65782876       1.34343548
O        3.55029000       1.65679000       2.98103000       0.80689500       0.30091220       0.87645154
Zn       4.65077000       0.77943000       6.23499000       0.24001426      -0.39699868      -0.15202102
Zn       7.96482000       1.25196000       0.85730000      -0.22353772       0.32052633       0.72223624
Zn       2.50344000       0.10232000       3.80828000      -0.02039610      -0.46453739      -1.28969711
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.26902888 magmom=12.0012058 free_energy=-96.26902888 stress="-0.002800170500403297 -0.0067512656217633416 -0.001075365591803298 -0.0067512656217633416 -0.014983359436373073 0.0029022209846491353 -0.001075365591803298 0.0029022209846491353 -0.010436294508935578" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49094000       1.13367000       6.13383000      -0.99956599      -0.03659114       1.20883664
Cr      10.73093000       1.63192000       1.21520000      -0.50377133      -0.95438137      -1.87201444
Cr      -0.26212000      -0.52556000       4.53823000      -2.04072527      -0.75991344      -1.50134190
Cr       5.32823000       0.58906000       2.68322000       0.25479767       0.10049047       1.49375667
O        0.48603000      -0.49549000       6.27529000      -0.51175192      -0.48363918       2.38748085
O        4.39931000       0.45338000       0.92772000       1.17731703      -1.04829710      -0.73696856
O        2.97076000      -0.21434000       5.72612000       1.19134315       2.27059399      -0.22443062
O        1.81784000      -0.22632000       1.47846000       0.49508761       1.00808001       0.79406259
O        5.96614000       0.69405000       4.59884000      -0.40775454      -0.08707474       1.31397624
O       -0.93360000      -0.57801000       2.68014000      -0.40720276      -0.72867640      -1.98227733
O        0.75737000       1.12101000       4.21321000       1.03063085       0.41695228       0.00870729
O        3.53094000       1.55606000       3.02078000       0.39686365       1.03271662       0.66487340
Zn       4.71717000       0.72287000       6.29847000       0.01493239      -0.30723697      -0.64424418
Zn       7.86461000       1.24575000       0.94764000      -0.03675841      -0.07935712       0.34364680
Zn       2.48546000       0.01154000       3.81973000       0.34655787      -0.34366592      -1.25406344
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.44371415 magmom=12.0001612 free_energy=-96.44371431 stress="0.010231775022290977 -0.012897695473600061 0.00161483870530337 -0.012897695473600061 -0.005430279163389476 0.0025329378217825013 0.00161483870530337 0.0025329378217825013 0.02150924879480054" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47886000       1.16836000       6.05138000       1.02349072       1.46593442       3.20678893
Cr      10.74534000       1.62496000       1.16084000       1.67808599      -1.23929640      -0.80388710
Cr      -0.36141000      -0.58487000       4.48589000      -0.34363897       0.37566782       1.38749156
Cr       5.35359000       0.73827000       2.70360000      -2.24951655      -1.85227461       0.37347597
O        0.49246000      -0.42993000       6.39024000      -0.94865108      -1.05881091      -0.45641774
O        4.53378000       0.27920000       0.89147000       0.61850326       1.44662670      -0.00408141
O        3.10058000       0.00215000       5.75238000      -2.07129044      -0.50744630      -0.98036836
O        1.96847000      -0.10225000       1.42121000      -1.19428860      -0.23934593       1.34667416
O        5.85848000       0.66389000       4.71071000       1.28144436       0.25385104      -0.64176378
O       -0.97303000      -0.50774000       2.60785000       0.73579612      -0.23238670      -0.72356091
O        0.74563000       1.07753000       4.27374000      -0.04760264       0.46541377      -1.43538507
O        3.58512000       1.64917000       3.11297000      -0.14830010       0.47797187      -0.73570861
Zn       4.78185000       0.66024000       6.33263000       0.08832331       0.17349606       0.52012410
Zn       7.77252000       1.23631000       1.04800000       0.52231260       0.22782229      -0.24766332
Zn       2.49232000      -0.08862000       3.76068000       1.05533205       0.24277688      -0.80571840
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.63550609 magmom=11.9981594 free_energy=-96.63550609 stress="0.020643760188864196 0.005201423015297067 0.012159164780642393 0.005201423015297067 0.004146604833543705 0.003425836576780986 0.012159164780642393 0.003425836576780986 0.03650408272765629" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.80511000      -1.63481000       6.14172000      -1.84660781       0.58309118      -0.22391866
Cr      10.84421000       1.56375000       1.06211000       0.17435005       0.68813672       1.18747170
Cr      -0.47681000      -0.61263000       4.49369000       4.26053883       2.02304424       0.22218619
Cr       5.28005000       0.77890000       2.73908000      -0.69606307      -2.58236460      -0.71955702
O        0.38172000      -0.52683000       6.45868000       0.06293238       0.62115252      -1.37118660
O        4.71041000       0.32915000       0.84651000      -0.90293666       0.73260821       0.04444754
O        2.88750000       0.14653000       5.63756000       1.68500309      -1.10590413      -0.15025946
O        2.01284000      -0.03204000       1.60588000      -0.01489116      -1.00961388       0.10315101
O        5.97405000       0.67293000       4.71787000      -2.09267220      -0.70654653      -0.18640816
O       -0.96203000      -0.53182000       2.43292000       0.23734301       0.22527165       0.93733287
O        0.73617000       1.13058000       4.18029000      -0.62131626      -0.05149412       0.68837948
O        3.63715000       1.81727000       3.01643000       0.67377944       0.21382684      -0.18218726
Zn      -3.01897000       0.60633000       6.38099000      -0.77081189      -0.13330961       0.06637558
Zn       7.70610000       1.23408000       1.13615000       0.61803259       0.13410327      -0.08972879
Zn       2.54284000      -0.17359000       3.66113000      -0.76668033       0.36799826      -0.32609842
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.40184648 magmom=11.9984595 free_energy=-96.40184648 stress="-0.009683366970024383 0.01872239901679634 0.006570730744244299 0.01872239901679634 -0.007038367164769454 0.007487724383351582 0.006570730744244299 0.007487724383351582 0.003648985595034343" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.86430000      -1.50680000       6.20384000      -0.11930119      -1.54438258      -3.50201069
Cr      10.93431000       1.53651000       1.02695000      -2.24534860       1.57401927       1.15491311
Cr      -0.38825000      -0.54254000       4.52026000      -0.19233779       0.03454303      -1.03041605
Cr       5.19243000       0.67934000       2.73081000       3.73412371       0.84527998      -0.13462314
O        0.33522000      -0.48647000       6.36269000      -0.00101812       0.91453170       1.21471680
O        4.66164000       0.52372000       0.79498000       0.27330202      -1.02048562       0.21028577
O        2.83559000       0.10788000       5.54984000       1.01022112       0.54820432       0.17772776
O        2.11144000      -0.11441000       1.74155000      -0.05179884       0.12513839      -1.69496960
O        5.84967000       0.63511000       4.63308000      -0.12118367       0.58802354       0.64126042
O       -0.93694000      -0.55063000       2.46604000       0.09977335       0.03467066       0.44760256
O        0.62052000       1.18027000       4.24522000       0.68123398       0.09594278       0.22364439
O        3.79402000       1.96333000       2.83884000      -2.01995924      -2.02707251       1.04942337
Zn      -2.99796000       0.55112000       6.43290000      -0.54878881      -0.01643041      -0.62871241
Zn       7.66983000       1.23593000       1.21519000       0.19907062      -0.01712836       0.07560144
Zn       2.55887000      -0.23884000       3.55876000      -0.69798852      -0.13485418       1.79555627
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.31747852 magmom=11.9984978 free_energy=-96.31747852 stress="-0.017063843920247023 0.022837127601905902 -0.00016931241941637502 0.022837127601905902 -0.011743454951056045 1.2556037667030226e-05 -0.00016931241941637502 1.2556037667030226e-05 -0.023127435988610327" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.93212000      -1.44741000       6.07509000       1.64004815      -1.04528027       1.77280477
Cr      10.89470000       1.59682000       1.06317000       0.34635643       0.25304264      -1.14420634
Cr      -0.30032000      -0.45612000       4.50417000      -3.68764486      -0.35304981       1.17872463
Cr       5.29647000       0.59261000       2.71577000      -0.27137093      -0.00198827      -0.06333518
O        0.34738000      -0.25948000       6.42248000      -0.32127014      -0.36081640      -0.89387985
O        4.59414000       0.52693000       0.73215000       1.27311692      -0.93854069       0.73716293
O        2.92936000       0.12568000       5.53016000      -0.38931469       0.71217613      -0.33700791
O        2.20627000      -0.15599000       1.56465000      -2.34470543       0.67788690       1.10389322
O        5.72018000       0.71836000       4.62273000       1.91071263       0.25699906       0.79257351
O       -0.88876000      -0.57079000       2.62963000       0.31564560      -0.08099177      -0.97770699
O        0.60440000       1.24559000       4.37746000       0.92009577       0.15690678      -2.74993046
O        3.72485000       1.77622000       2.82780000       0.31511063       0.13777296       1.53581190
Zn      -3.01050000       0.49101000       6.45775000      -0.67950700       0.06247856      -0.72191344
Zn       7.64544000       1.23548000       1.29574000       0.46422409       0.12690506      -0.87455084
Zn       2.53673000      -0.30935000       3.53338000       0.50850282       0.39649914       0.64156006
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.20205028 magmom=12.001523 free_energy=-96.20300145 stress="0.013268788705320746 -0.010586400000975472 0.00849777459191845 -0.010586400000975472 0.002671887321550411 0.00431118962187268 0.00849777459191845 0.00431118962187268 0.024066615477603654" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.90192000      -1.43759000       5.99538000       1.14773458       0.54414104       1.26068227
Cr      10.83498000       1.69395000       1.06433000       0.44370086      -1.23996724      -0.10391571
Cr      -0.40869000      -0.37705000       4.53971000       1.60117832       0.20575653       0.79716094
Cr       5.43466000       0.51855000       2.71230000      -2.53632126       0.14787673       0.45235726
O        0.36554000      -0.09585000       6.38118000      -0.33825823      -1.67591166      -0.35256489
O        4.69584000       0.33389000       0.78081000      -0.19018602       1.08342715       0.58518282
O        2.90633000       0.26049000       5.50279000       0.05633328      -0.24992400       0.21746106
O        1.97499000      -0.05978000       1.47092000       0.20387883      -0.07800861       0.70700439
O        5.96192000       0.86662000       4.72444000      -1.08466007      -1.07434968       0.15498178
O       -0.80701000      -0.60770000       2.66150000      -0.72305869      -0.22586193      -1.29224656
O        0.68887000       1.32819000       4.13280000      -1.28241713      -0.69053741       0.75107909
O        3.67603000       1.50093000       3.00976000       0.78031157       1.21171288      -0.81721577
Zn      -3.06282000       0.42446000       6.44674000      -0.64212793       0.23747230      -0.31858927
Zn       7.64043000       1.23766000       1.33947000       1.31965944       0.19377819      -1.36799433
Zn       2.53886000      -0.36344000       3.54812000       1.24423244       1.61039570      -0.67338308
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.43607832 magmom=12.0023533 free_energy=-95.43672977 stress="-0.008687940292780985 0.010412038500268696 0.017514780927204005 0.010412038500268696 -0.00019876512106448537 -0.002392543381444404 0.017514780927204005 -0.002392543381444404 0.042420105666043185" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.80625000      -1.40967000       6.01438000      -2.02904857      -0.00510039       0.63624349
Cr      10.80408000       1.72592000       1.05160000      -0.21982724      -1.53118211       0.17079569
Cr      -0.44899000      -0.31034000       4.61012000       2.39475901      -1.81293217      -1.92991442
Cr       5.43646000       0.46095000       2.72665000      -1.58505098       0.46603650       0.69380738
O        0.41060000      -0.21779000       6.28622000       0.85947713       0.26015582       2.06528875
O        4.70006000       0.30537000       0.91916000      -0.72027541       1.13745679      -1.49730255
O        2.84985000       0.32608000       5.53880000       1.60306623      -1.22871141      -0.66824036
O        1.80518000       0.05518000       1.50853000       1.59227866      -0.34979447       0.24118513
O        6.03112000       0.87055000       4.86230000      -2.81198330      -0.10342468      -0.16404626
O       -0.90559000      -0.68351000       2.52033000       0.07113398      -0.24488445       0.51028795
O        0.56333000       1.30219000       4.00224000       1.02959942       0.69123410       1.41629824
O        3.77239000       1.46037000       3.03007000      -1.06119994       1.60434540      -0.33785757
Zn      -3.14853000       0.36714000       6.41567000       0.10004981       0.39643988       0.08688745
Zn       7.69900000       1.24559000       1.31340000       0.97739225       0.02184838      -0.97398507
Zn       2.60274000      -0.34240000       3.53202000      -0.20037103       0.69851283      -0.24944784
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.86412617 magmom=12.0003123 free_energy=-95.86415752 stress="-0.02775454681007414 -0.010498816623351392 0.015623305779796835 -0.010498816623351392 -0.02167607864147908 0.006479642097646068 0.015623305779796835 0.006479642097646068 0.0248512190123702" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.78149000      -1.39911000       6.08301000      -0.04013866      -2.34697527       0.44973056
Cr      10.77206000       1.67896000       1.04968000       1.39533703       0.76319456       0.46515018
Cr      -0.35893000      -0.33340000       4.61811000      -2.46704466      -1.39386169       0.04634297
Cr       5.31643000       0.43441000       2.76198000      -0.44626070       1.40222146       0.09425159
O        0.57876000      -0.32551000       6.45024000      -1.94071896       1.38193233      -1.44456959
O        4.49716000       0.48415000       0.84775000       0.64616872      -0.24389658      -0.15561189
O        2.96329000       0.18701000       5.49584000      -1.15657282       0.58504971      -0.86378111
O        1.95004000       0.10826000       1.61096000      -0.58377773      -1.25379067       0.48181728
O        5.70399000       0.80433000       4.91275000       2.64995081       0.12495076      -1.96616674
O        6.22554000       2.10515000       2.48681000       1.72621774       1.02746985       0.95540452
O        0.54549000       1.35394000       4.22296000       1.43662035       0.22915557      -0.02897736
O        3.71873000       1.73670000       2.93937000      -0.81147716      -1.12108314       0.30331700
Zn      -3.25066000       0.31602000       6.38610000       1.07623363       0.20374316       1.29756544
Zn       7.83188000       1.25675000       1.22291000      -0.29495866       0.03389502      -0.60103638
Zn       2.68565000      -0.26384000       3.49141000      -1.18957893       0.60799492       0.96656354
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.93754752 magmom=12.0012022 free_energy=-95.93754752 stress="-0.020994867914877015 0.003841682764617208 -0.0011063796319252845 0.003841682764617208 -0.022093547303371066 -0.0020221803189103185 -0.0011063796319252845 -0.0020221803189103185 -0.04698520505336786" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.78861000      -1.48866000       6.16312000      -0.74034530       0.08390109      -1.30492092
Cr      10.79860000       1.66569000       1.05886000      -0.60516739       1.07844915      -0.56714845
Cr      -0.37959000      -0.43051000       4.61338000      -0.37795619       0.05228979      -0.82972574
Cr       5.20820000       0.49869000       2.79521000       2.22919150       1.46099724      -0.77659850
O        0.48172000      -0.21680000       6.43064000      -1.06264857      -0.71944561      -0.08717365
O        4.42293000       0.56435000       0.77539000       2.15938002      -1.38787997       1.70656514
O        2.89468000       0.12701000       5.38054000       0.88810202       0.97300021       1.78122526
O        2.01856000      -0.00527000       1.72644000      -1.47461300      -0.13987458      -1.26203493
O        5.81465000       0.73850000       4.66122000       0.23007532      -0.28257201       1.36063270
O        6.27937000       2.15384000       2.63682000       0.36150630       0.87977430      -0.26192910
O        0.70060000       1.40208000       4.45524000      -0.75270092      -1.24534194      -2.26448712
O        3.60918000       1.79168000       2.85915000       1.02822884      -1.51661079       1.09244625
Zn      -3.29941000       0.27883000       6.39588000       0.66352812       0.47639201      -0.56990492
Zn       7.95099000       1.26841000       1.11315000      -0.35361672      -0.04273548       0.33152689
Zn       2.69287000      -0.15524000       3.50784000      -2.19296405       0.32965658       1.65152709
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.70203052 magmom=12.0000989 free_energy=-96.70203052 stress="-0.005369569951472856 0.01274327768545604 -0.008013110910075266 0.01274327768545604 0.0010969525813717329 -0.008097831394844431 -0.008013110910075266 -0.008097831394844431 -0.016076193333253764" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.84458000      -1.55869000       6.15932000      -1.37712552       1.08092323      -0.51865763
Cr      10.81287000       1.69976000       1.04373000       0.36685388      -1.02117508       0.86055673
Cr      -0.42047000      -0.51435000       4.56639000       1.64428318       0.08740557      -0.34517776
Cr       5.26842000       0.62030000       2.79089000       2.59299479      -1.00192470      -0.16236332
O        0.28055000      -0.21648000       6.41024000       0.93350522      -0.83100213       0.89167297
O        4.62192000       0.40508000       0.90820000      -0.74044135       0.46620489      -1.07977055
O        2.87943000       0.21132000       5.57005000      -0.02543192      -0.83807476      -0.08807255
O        1.88080000      -0.10797000       1.62313000       0.91699509       0.63595368      -0.05625746
O        5.97078000       0.67035000       4.64153000      -2.23400812       0.40238742       1.53914984
O       -0.95436000      -0.58172000       2.71629000      -0.42766110      -0.47739726      -1.62928755
O        0.72087000       1.24991000       4.34753000       0.27054255       0.10254760      -0.59919150
O        3.66793000       1.62172000       2.92664000      -1.58489596       1.64878201       0.72371502
Zn      -3.29648000       0.26827000       6.39161000       1.27050668       0.53699744       0.07292612
Zn       8.02622000       1.27270000       1.03763000      -0.53033875      -0.57617328       0.14084395
Zn       2.59681000      -0.05517000       3.59009000      -1.07577868      -0.21545462       0.24991369
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.06731602 magmom=11.9998985 free_energy=-97.06731602 stress="0.010996035057110727 -0.0023002139727640197 -0.006250022213530979 -0.0023002139727640197 0.0032165115150830192 -0.00017558276431441986 -0.006250022213530979 -0.00017558276431441986 0.029870030493956392" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.95350000      -1.56541000       6.12192000      -0.29406370       0.04731551       1.00110544
Cr      10.84686000       1.68147000       1.08203000       0.29762267      -1.08839797       1.80093382
Cr      -0.39907000      -0.56573000       4.51005000      -0.07883886       0.67324762       1.08387530
Cr       5.42480000       0.67711000       2.77060000      -3.19922275      -0.93818326       0.10714534
O        0.30937000      -0.35988000       6.48251000       0.09791730      -0.15874775      -1.59879449
O        4.62462000       0.35049000       0.87873000      -0.23628714       1.32358194      -0.20706039
O        2.80141000       0.15537000       5.75211000       0.39609550      -0.54096979      -0.96603297
O        1.92617000      -0.07326000       1.51608000       0.36170616       0.32884122       0.55820463
O        5.85576000       0.67865000       4.82915000       0.76521859      -0.01311620      -1.25308962
O       -0.98512000      -0.53843000       2.59965000       1.10668642      -0.40911875       0.12646224
O        0.71890000       1.13594000       4.19415000      -0.37745753       0.41651425       0.37225976
O        3.56681000       1.72568000       3.06842000       0.59663609       0.35925990      -0.54659970
Zn      -3.23860000       0.28285000       6.39023000       0.11894940       0.44374725      -0.06366514
Zn       8.06585000       1.24962000       0.98478000       0.03691539      -0.54001205      -0.06686053
Zn       2.47868000       0.01238000       3.66119000       0.40812247       0.09603808      -0.34788370
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.7687523 magmom=12.000321 free_energy=-96.7687523 stress="-0.01879335100706021 0.0002937333399391469 -0.0005364486217323788 0.0002937333399391469 -0.02773046243666671 0.005726529591611926 -0.0005364486217323788 0.005726529591611926 0.026784414791031257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.05354000      -1.58662000       6.13437000       2.12014296      -2.04474643       0.05945467
Cr      10.90345000       1.62115000       1.20583000      -0.52798869       2.02274110      -1.28966131
Cr      -0.39054000      -0.57176000       4.51045000      -0.18708479       0.64311906      -0.01769229
Cr       5.42381000       0.66786000       2.74824000      -2.08150740      -1.02531776       0.05527701
O        0.35855000      -0.47852000       6.34382000      -2.26404944       1.35484633       1.25801112
O        4.50795000       0.50491000       0.81565000       1.50695269      -0.89072191       0.76792551
O        2.74778000       0.01722000       5.74263000       1.40156657       1.17551067      -0.65720463
O        2.06497000       0.01833000       1.53384000      -1.45712530      -1.00384762       0.97097130
O        5.90216000       0.70014000       4.75346000      -0.29105082      -0.59499854      -0.48182655
O       -0.92229000      -0.59502000       2.55646000       0.17114116       0.39776241      -0.05933532
O        0.64012000       1.12110000       4.17774000       0.51828282       0.44297537       0.03892386
O        3.57314000       1.90310000       3.06538000       0.90683369      -0.37010607       0.05228171
Zn      -3.17242000       0.31872000       6.38267000      -0.79721843       0.22614365      -0.82427357
Zn       8.10576000       1.19650000       0.93506000       0.30593460      -0.35050779       0.46941844
Zn       2.38783000       0.07805000       3.70877000       0.67517038       0.01714755      -0.34226995
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.37570324 magmom=11.9997002 free_energy=-96.37570324 stress="-0.0003923143315411434 -0.010332587634273386 -0.016998700852594542 -0.010332587634273386 -0.01460859244613938 -0.0004011175744651086 -0.016998700852594542 -0.0004011175744651086 -0.009941731943414961" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.24143000       1.20731000       6.17126000       0.83585091       1.39585078      -0.39597247
Cr      10.93550000       1.65332000       1.29664000      -1.66501372       0.93798073      -2.18345141
Cr      -0.41265000      -0.53960000       4.50325000      -0.06471027      -0.32308601      -1.68425647
Cr       5.31227000       0.60053000       2.71610000       2.96709550       2.11099688      -0.45301479
O        0.12285000      -0.40081000       6.39068000       1.40593673      -0.40346865       1.59056143
O        4.57201000       0.53428000       0.84869000      -0.08867912      -0.98392047      -0.51222043
O        2.88607000       0.02466000       5.61350000      -0.90114937       0.04131188       0.67865028
O        2.01830000      -0.00966000       1.77194000       0.16027304       0.05276168      -0.17180113
O        5.96797000       0.64609000       4.50526000      -1.71896958       0.45487403       2.55709310
O       -0.88104000      -0.62309000       2.55560000      -0.40401988       0.22748208      -0.69105814
O        0.62473000       1.20077000       4.25657000       0.89837698      -0.17813761       0.39286912
O        3.75511000       2.00512000       3.00595000      -1.30784162      -2.83011223       1.28308415
Zn      -3.13043000       0.37858000       6.32613000      -0.24606020       0.01022493      -0.74193913
Zn       8.17538000       1.10299000       0.89688000      -0.28607890      -0.22186764       0.71469660
Zn       2.31330000       0.16398000       3.74322000       0.41498951      -0.29089039      -0.38324070
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.88873257 magmom=12.0003229 free_energy=-95.88873257 stress="-0.003157634791521232 -0.0006123968027383164 -0.020749415656433973 -0.0006123968027383164 -0.0006738169475104102 -0.015018001185153732 -0.020749415656433973 -0.015018001185153732 -0.03958367421959576" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.30767000       1.12485000       6.20973000       0.63634156       2.30431892       1.39263735
Cr      10.87316000       1.76380000       1.28716000      -0.52161109      -2.10219982       0.55144412
Cr      -0.46518000      -0.50987000       4.39940000      -0.09863912      -0.08021800       1.21103716
Cr       5.33033000       0.59466000       2.66637000       0.74956167      -0.88092153       0.47175727
O        0.11181000      -0.32409000       6.70358000       0.48980109      -0.87707831      -1.75991782
O        4.63026000       0.34316000       0.83146000      -0.23485663       1.36640658       0.46747373
O        2.87017000       0.06823000       5.60591000      -0.30910279      -0.58259052       0.88425048
O        1.96465000      -0.06260000       1.98644000       0.21768118       0.06917402      -2.49518425
O        5.80829000       0.66159000       4.60094000       1.21148535       0.50652515      -0.15900129
O       -0.96485000      -0.61017000       2.49622000       0.83115673       0.01388204       0.17019535
O        0.68248000       1.26982000       4.45209000      -1.98324865      -0.58177691      -1.78549865
O        3.83617000       1.68833000       3.06654000      -1.36615792       1.12615794      -0.12662914
Zn      -3.09766000       0.45701000       6.21191000      -0.72752747      -0.27646926       0.59820522
Zn       8.26071000       0.96644000       0.88308000      -0.41560430      -0.07707962       0.10746693
Zn       2.25058000       0.26480000       3.77579000       1.52072038       0.07186935       0.47176354
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.57051592 magmom=12.0003742 free_energy=-95.57051592 stress="-0.045290641454852516 -0.0005553393917055965 -0.0028231038833543315 -0.0005553393917055965 -0.038562423866321346 -0.012035293212786844 -0.0028231038833543315 -0.012035293212786844 -0.0305315252606637" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38861000       1.17391000       6.30247000      -2.45941102       1.96489361       0.02124022
Cr      10.78293000       1.76459000       1.29024000       1.60006268      -2.48456299       0.06968764
Cr      -0.52693000      -0.48526000       4.35093000       1.47268427       0.51068236       2.56896452
Cr       5.40579000       0.57454000       2.63697000      -1.72481898      -0.24495394       0.99206344
O        0.29379000      -0.37314000       6.71630000      -0.29746381      -0.69246469      -1.60145723
O        4.58663000       0.36601000       0.91821000       0.14706405       0.85948840       0.21249844
O        2.76723000       0.00234000       5.77900000       1.66259999      -0.32250749      -0.98589000
O        1.97265000      -0.09512000       1.77596000      -0.76307726       0.67957776       0.70282584
O        5.88397000       0.77633000       4.64136000      -0.98523323      -1.00068712      -0.93085128
O       -0.96970000      -0.62200000       2.49908000       0.81224928      -0.19186095      -0.74707924
O        0.44789000       1.21145000       4.44036000       2.17686341      -0.11654555      -0.83848207
O        3.70816000       1.48709000       3.08352000       0.06507804       1.66323796       0.31890630
Zn      -3.10835000       0.52196000       6.13357000      -0.94312851      -0.41641964       1.12096154
Zn       8.32690000       0.82712000       0.87474000      -1.06492892       0.08585440      -0.66901380
Zn       2.25235000       0.36479000       3.82112000       0.30146001      -0.29373213      -0.23437430
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.84183925 magmom=12.0001648 free_energy=-95.84183925 stress="-0.05037007293846539 0.0032888542384103174 -0.009731131098527138 0.0032888542384103174 -0.028253426571283546 -0.0036580510624812136 -0.009731131098527138 -0.0036580510624812136 -0.02042855122530571" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.94781000      -1.60678000       6.38895000       0.91384798      -1.73972438      -2.17988927
Cr      10.77709000       1.63321000       1.29487000       0.90408044       0.50820341      -0.94114327
Cr      -0.49986000      -0.45458000       4.43388000       1.83918533      -1.48325016       0.48426668
Cr       5.40691000       0.54702000       2.65452000      -1.13094634       0.09478538       0.57837800
O        0.43585000      -0.48753000       6.48703000      -2.28804150       1.36635881       0.91033551
O        4.50774000       0.52195000       1.00720000      -0.28379039      -1.19937321      -1.28687483
O        2.88384000      -0.06301000       5.81939000      -0.14518754       1.31241587      -0.72859410
O        1.96481000      -0.06146000       1.65108000       0.50485758      -0.39948899       1.17468825
O        5.85330000       0.72573000       4.48938000      -0.50012202      -0.06151092       1.83327867
O       -0.91043000      -0.67368000       2.47433000      -0.11227412       0.48630589       0.02047793
O        0.54540000       1.15038000       4.28331000       0.55220716       1.03726308       0.47374539
O        3.60658000       1.63566000       3.10208000       0.83340845       0.92088480       0.03855839
Zn       4.69031000       0.56185000       6.12103000      -0.00444557      -0.36910284       0.27370842
Zn       8.32974000       0.70730000       0.83128000      -1.82048962       0.33121150      -0.58255812
Zn       2.27399000       0.44191000       3.85690000       0.73771018      -0.80497825      -0.06837764
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.26901759 magmom=11.9994831 free_energy=-96.26901759 stress="-0.02988301196536846 0.00040375214043318044 0.0008769628215511158 0.00040375214043318044 -0.010472096098632573 -0.007853833251989992 0.0008769628215511158 -0.007853833251989992 -0.0162189100331678" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.96771000      -1.54418000       6.34040000      -0.00257657      -0.67941075      -2.88088274
Cr       2.95610000       1.53449000       1.25468000      -0.86792498       2.27385214       0.04023012
Cr      -0.37164000      -0.49413000       4.53846000      -1.08667591      -0.31095714      -1.31015601
Cr       5.35634000       0.54244000       2.69931000       0.07518308       1.10412055       0.14686066
O        0.28097000      -0.37947000       6.43254000       0.20399699       0.14429023       0.90391118
O        4.42461000       0.41331000       0.90052000       1.74385110      -0.61119565       0.52299526
O        2.89099000       0.05882000       5.73310000      -1.38136261       0.27559980       0.35804447
O        2.06141000      -0.08978000       1.75555000      -1.09121397      -0.14281684       0.32868388
O        5.78447000       0.62143000       4.60269000       1.82642178       0.71744244       0.34770277
O       -0.95305000      -0.65297000       2.51660000       0.27815383       0.34516111       0.32568555
O        0.68100000       1.27621000       4.26285000      -0.87503776      -0.13657607       1.03692735
O        3.65879000       1.94065000       3.05996000      -0.51933041      -2.04627310       0.21548004
Zn       4.63424000       0.58547000       6.12818000       0.48599099      -0.39397205       0.06378073
Zn       8.25105000       0.61163000       0.76656000      -0.16693386       0.11932237       1.48679225
Zn       2.34621000       0.47008000       3.87848000       1.37745831      -0.65858703      -1.58605552
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.01899099 magmom=12.0000096 free_energy=-96.01899099 stress="-0.03190955732113502 0.006678000241108 -0.006484547137388862 0.006678000241108 -0.030353197786469662 -0.013759328986458772 -0.006484547137388862 -0.013759328986458772 -0.02625053048708174" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.99373000      -1.52792000       6.16454000      -1.85384041       0.77740970       3.24374841
Cr      10.81238000       1.55442000       1.21715000       0.21194498       0.35848080      -0.32708632
Cr      -0.32013000      -0.54169000       4.57496000      -1.85208547       1.53928464      -0.21780210
Cr       5.33185000       0.59447000       2.75142000       0.12562051       0.53624506       0.26148497
O        0.16973000      -0.22385000       6.52907000       0.65099976      -1.10615756      -0.23935520
O        4.58157000       0.23548000       0.85004000      -0.14216739       1.71809029       0.57468879
O        2.67251000       0.20322000       5.71996000       2.75192243      -0.61378236      -0.37967825
O        2.03604000      -0.12365000       1.89749000      -0.64701628       0.37794053      -0.92057374
O       -1.82824000       0.66012000       4.75341000      -1.97663204       0.34331636      -0.27804470
O       -1.02154000      -0.57831000       2.65066000       1.06660488      -0.33771148      -0.63303423
O        0.64171000       1.33336000       4.42600000       1.35680937      -1.64180917      -2.09623966
O        3.65216000       1.88680000       3.02207000       0.34622379      -1.04806146       0.98455108
Zn       4.60134000       0.58878000       6.13035000      -0.04116084      -0.72238090      -0.88196841
Zn       8.16660000       0.53609000       0.78005000       0.38416681       0.26167508       2.27642305
Zn       2.48153000       0.45984000       3.81893000      -0.38139012      -0.44253954      -1.36711369
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.60471798 magmom=11.9965936 free_energy=-96.60471798 stress="-0.02704449413845797 -0.011645217423459735 -0.0024759965902006503 -0.011645217423459735 -0.022888907723350047 -0.004418889514481174 -0.0024759965902006503 -0.004418889514481174 -0.006947038588318914" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.08652000      -1.48841000       6.15807000       2.14875686      -0.24479781       1.07621149
Cr      10.81740000       1.61439000       1.18132000       0.54367239       0.31037397       1.27356204
Cr      -0.37438000      -0.50821000       4.57911000       0.82163260       0.61728218      -0.44885420
Cr       5.35054000       0.66793000       2.80850000       0.74194708      -1.27926360      -0.24069940
O        0.24941000      -0.27654000       6.56360000      -0.15451793      -0.39734896      -1.04262160
O        4.63731000       0.37816000       0.92508000      -1.15105798       0.48554202      -0.37017821
O        2.79371000       0.22244000       5.69686000      -1.21901620      -0.66769549      -0.54308334
O        1.95352000      -0.08837000       1.82013000       0.91763283       0.17622978      -0.71492690
O        5.99263000       0.75474000       4.79268000      -1.18380626      -0.80589900      -0.44285668
O       -0.97496000      -0.56594000       2.71045000       0.41904453       0.15361306      -0.83414610
O        0.72594000       1.12863000       4.29644000      -0.81435789       0.90678075       0.21078104
O        3.74049000       1.68482000       3.07410000       0.27050528       2.46949079      -0.43818666
Zn       4.57239000       0.56027000       6.10002000       0.76783093      -0.08882262       0.98495505
Zn       8.10940000       0.48480000       0.90643000      -0.18240578      -0.07458415       0.72242317
Zn       2.57902000       0.41346000       3.70033000      -1.92586046      -1.56090093       0.80762030
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.559568 magmom=11.9995901 free_energy=-96.55956804 stress="-0.04533142913652982 0.006059815824270453 0.007571394316029206 0.006059815824270453 -0.040218817715505645 0.0010926683907831992 0.007571394316029206 0.0010926683907831992 0.00499687828174805" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.06097000      -1.47184000       6.23256000       2.06669527      -2.28251697      -1.58404173
Cr      10.85072000       1.70439000       1.20096000      -0.40531221       1.10119085      -0.20207109
Cr      -0.40841000      -0.44274000       4.54992000       0.34432449      -1.29234990       0.21431639
Cr       5.41839000       0.67958000       2.83523000      -0.60677438      -0.19648525      -1.90853895
O        0.32938000      -0.37469000       6.45733000      -1.65243774       1.24613778       0.68958730
O        4.46629000       0.60950000       0.95450000       1.98938561      -1.45408821      -1.11982722
O        2.74534000       0.07896000       5.58260000       0.38498847       0.89280723      -0.00737842
O        2.06958000      -0.01083000       1.59431000      -0.56181926       0.54213377       1.31179245
O        5.81118000       0.73317000       4.69796000       1.28637749       0.16789029       0.50372903
O       -0.88569000      -0.55936000       2.65630000       0.14030254       0.54367568      -0.68975771
O        0.64167000       1.08339000       4.18964000       0.43967101       1.80983729       0.88727283
O        3.86547000       1.89584000       3.04529000      -1.92860048      -0.36553365       0.48183895
Zn       4.56945000       0.52693000       6.11763000      -0.25787358      -0.10411704       1.50576625
Zn       8.04654000       0.43597000       1.07929000      -0.36964763      -0.39659281      -0.39925061
Zn       2.58944000       0.29623000       3.60859000      -0.86927960      -0.21198907       0.31656254
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.89506155 magmom=12.0013946 free_energy=-96.89507101 stress="-0.016917456613782092 -0.008125390528729404 0.007520093242893488 -0.008125390528729404 -0.03415679331450647 0.0011402333776957833 0.007520093242893488 0.0011402333776957833 -0.008338799072806944" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.94776000      -1.56053000       6.20835000      -1.53605769       0.21865228      -2.10428353
Cr      10.87878000       1.83289000       1.20363000      -0.03849686      -0.27801822      -1.77570064
Cr      -0.40698000      -0.43250000       4.53091000       0.92068757       0.14033302       1.05401633
Cr       5.45946000       0.67737000       2.75701000      -1.79618636       0.70962022      -0.94377748
O        0.24250000      -0.28887000       6.45915000       0.56968531      -0.25062894       0.54013163
O        4.55395000       0.59792000       0.80765000       1.01856594       0.22155053       1.52177796
O        2.70838000       0.07215000       5.50460000       1.49251577       0.94642821       0.50037060
O        2.11630000       0.15171000       1.61050000      -1.19817413       0.02957147       0.82597897
O        5.88760000       0.73076000       4.63882000      -0.60794338       0.48865843       0.63825558
O       -0.84405000      -0.49767000       2.55598000      -0.80794720      -0.62184930       0.87785057
O        0.57660000       1.30889000       4.30177000       0.86112031      -0.63264293      -0.40449621
O        3.68647000       2.06742000       3.05096000       0.81438502      -1.21969892       0.00212039
Zn      -3.29754000       0.49842000       6.20482000       0.13407409      -0.02269978       0.34843203
Zn       0.11722000       0.38096000       1.21171000       1.00882141       0.24624836      -2.02350260
Zn       2.54847000       0.17376000       3.54423000      -0.83504980       0.02447556       0.94282640
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.6802649 magmom=11.999354 free_energy=-96.68026868 stress="-0.01455922442455353 -0.016242488694539814 -0.01865543022034341 -0.016242488694539814 -0.02466552505320392 -0.008661824358085154 -0.01865543022034341 -0.008661824358085154 -0.0270488516418127" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.91097000      -1.62156000       6.09025000       0.58378356       2.78422149       1.62624966
Cr      10.89259000       1.93878000       1.12763000      -0.58934295      -1.05613478       0.74742894
Cr      -0.37259000      -0.41933000       4.57245000      -1.29705825       0.66147450       0.46424490
Cr       5.40317000       0.70585000       2.64254000      -1.53955988      -0.16907411       2.44855384
O        0.29944000      -0.22928000       6.52668000       0.23916045      -0.87096553      -1.04695370
O        4.77223000       0.56533000       0.82440000      -1.21281105       0.63709820      -0.75642838
O        2.86639000       0.20499000       5.54663000      -0.61060714      -1.02428070      -0.71039204
O        1.99000000       0.31343000       1.72780000       0.74773812      -0.30820465      -0.99446207
O        5.92874000       0.81265000       4.68230000      -0.59163102      -0.26300987       0.23551291
O       -0.96147000      -0.53423000       2.64905000       1.16765218       0.70275315      -0.36634214
O        0.64744000       1.39824000       4.36469000       0.30232743      -1.08176424      -1.68526231
O        3.66061000       2.00248000       2.99591000       0.84958240      -0.25022186      -0.28001943
Zn      -3.29337000       0.47915000       6.30406000       1.23364277       0.18652942       0.12656998
Zn       0.09427000       0.34399000       1.23684000       0.33110464       0.00205465      -1.25586687
Zn       2.47698000       0.06546000       3.53724000       0.38601874       0.04952432       1.44716672
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.88706169 magmom=11.9999301 free_energy=-96.88706231 stress="-0.009228952830816392 -0.02181672188709546 -0.008482612455806471 -0.02181672188709546 -0.03256231891834132 -0.012971821283737459 -0.008482612455806471 -0.012971821283737459 -0.01736526779182921" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.84626000      -1.52680000       6.03531000       0.32199647       0.67259290       0.88587825
Cr      10.87192000       1.98430000       1.07194000       0.11730430      -0.98836672      -0.14124646
Cr      -0.42164000      -0.37589000       4.64175000       0.01502912      -0.12427708      -1.07841654
Cr       5.27614000       0.72837000       2.65785000       2.27633196      -0.32632604       1.55309717
O        0.48440000      -0.28566000       6.41396000      -0.95618983       0.12494542      -0.14390406
O        4.70666000       0.64416000       0.76900000      -0.55235180       0.41446154      -0.38267237
O        2.88894000       0.16428000       5.50865000       0.88408057      -0.00015771       0.01297203
O        2.03617000       0.40273000       1.65226000       0.30714722      -1.25875328       0.14926528
O        5.89775000       0.86471000       4.77693000      -0.56949081      -0.62477230       0.38699449
O       -0.96619000      -0.48733000       2.74418000       0.34684391       0.42381752      -1.27084886
O        0.75910000       1.25905000       4.18925000      -0.69802937       0.13113426       0.30270549
O        3.81691000       1.89495000       2.84753000      -2.10865188       1.32907798       1.09405449
Zn      -3.22799000       0.47292000       6.40755000       0.20095624      -0.30424668      -1.38196884
Zn       0.09270000       0.31541000       1.19217000       0.19248763       0.16592398       0.84667475
Zn       2.41531000      -0.04494000       3.60082000       0.22253628       0.36494623      -0.83258483
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.97542962 magmom=12.0009834 free_energy=-95.9754352 stress="-0.023719676187151116 -0.006283265683263676 0.00595864971193568 -0.006283265683263676 -0.043711912083095106 -0.007166037795675218 0.00595864971193568 -0.007166037795675218 -0.02279067520768557" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.74374000      -1.38389000       6.03586000      -1.17255748      -2.78606156      -0.40707022
Cr      10.85122000       1.96436000       1.00150000       0.18692057      -0.58173363      -0.65868102
Cr      -0.51173000      -0.33642000       4.65459000       1.52436048      -0.70795651      -1.52909723
Cr       5.24646000       0.74636000       2.78026000       0.54199495       1.35276129      -0.50459509
O        0.53668000      -0.28411000       6.23636000      -0.94915373       0.96336227       1.44143783
O        4.46543000       0.78620000       0.65419000       2.44490535      -0.79775189       1.25765902
O        3.00792000       0.13755000       5.47480000       0.90099772       1.78894221       0.33731564
O        2.19943000       0.27268000       1.55842000      -2.41917851      -0.09403664       0.72950729
O        5.84596000       0.82542000       4.90330000      -0.28076582       0.43334404      -1.07253181
O       -0.94966000      -0.35141000       2.67048000      -1.26420416      -0.85802917       0.27378101
O        0.74394000       1.10007000       4.06236000       0.04418577       1.05202740       0.84177386
O        3.69643000       2.02226000       2.83859000      -0.26255127      -0.12104309       1.05844086
Zn      -3.13074000       0.45055000       6.46002000      -0.47026846      -0.75449221      -1.55165076
Zn       0.10245000       0.29610000       1.17837000       0.93585331       0.67840055       1.41921567
Zn       2.35747000      -0.15941000       3.63333000       0.23946127       0.43226695      -1.63550503
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.98731638 magmom=12.0010795 free_energy=-95.98733077 stress="-0.013507968240850767 0.0006542613382266126 -0.0006400551641353722 0.0006542613382266126 -0.01760743040671387 -0.0021020888123547384 -0.0006400551641353722 -0.0021020888123547384 -0.010097716475179765" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.68797000      -1.35715000       6.02643000      -0.82600876      -0.12905937       0.31165342
Cr      10.83843000       1.89948000       0.90404000       0.13065982       0.06870320       2.54387561
Cr      -0.54163000      -0.32848000       4.58394000       2.03949694      -0.39365489       0.07949644
Cr       5.25345000       0.83224000       2.89411000      -3.39175498       0.48146924      -1.70344720
O        0.42921000      -0.09775000       6.28963000       0.53741856      -0.63841921      -0.32569034
O        4.55973000       0.76148000       0.70572000       0.53831278      -0.55266370       0.43328459
O        3.15174000       0.36921000       5.54534000      -2.22613733      -0.64332937      -0.17513170
O        2.04337000       0.10495000       1.54177000       0.05160074       0.92532005      -0.02834569
O        5.84933000       0.85993000       4.78702000      -0.40643709       0.34424155       0.28876105
O       -1.16137000      -0.35965000       2.65946000       1.77129620      -0.11978156      -0.04559427
O        0.71499000       1.10629000       4.14278000       0.10623457       0.97227193       0.02759493
O       -3.78905000      -0.70872000       2.97022000       1.54128832      -1.41461757      -0.62484518
Zn      -3.03577000       0.38315000       6.44241000       0.08716073      -0.45424879      -0.15357877
Zn       0.15309000       0.31107000       1.23736000      -0.38919164       0.34468994       0.14031745
Zn       2.30569000      -0.25915000       3.58303000       0.43606116       1.20907856      -0.76835035
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.85992665 magmom=12.000919 free_energy=-95.85992918 stress="-0.023165712686200247 -0.007713278230105105 0.010960229254395073 -0.007713278230105105 -0.032416928168672476 0.002951240542780488 0.010960229254395073 0.002951240542780488 -0.006650868613149096" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.70020000      -1.33771000       6.04683000      -2.99638049       1.72198845       2.02856161
Cr      10.84890000       1.83596000       0.93732000       1.19922882       0.23156557       1.68287222
Cr      -0.46670000      -0.32858000       4.51876000       0.96860016       0.75435881       0.75031548
Cr       5.09173000       0.93746000       2.90346000       1.02310184      -1.49248533      -2.28040688
O        0.42058000      -0.00985000       6.34973000      -0.11691777      -1.22317501      -0.48726453
O        4.70793000       0.59566000       0.81769000      -1.42665290       0.69370830      -0.14296334
O        2.92006000       0.45876000       5.61796000       2.69550365      -2.31585813      -1.22833760
O        1.98650000       0.10198000       1.52005000       1.72592611       0.38052682       0.47879768
O        5.86252000       0.95204000       4.67620000      -0.46837884      -0.85582798       1.71994788
O       -1.15099000      -0.35766000       2.66697000       0.88073359       0.87793019      -0.29648417
O        0.68622000       1.27856000       4.27527000      -0.58602820       0.28465252      -0.72659072
O       -3.69762000      -0.77632000       2.97692000      -1.43447732      -0.44308597       0.03637388
Zn      -2.93737000       0.28014000       6.40094000      -0.69333777       0.00905451      -0.06129198
Zn       0.16594000       0.35758000       1.31486000      -2.02419756       0.08030421      -1.06054526
Zn       2.28019000      -0.30194000       3.48536000       1.25327667       1.29634306      -0.41298425
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.66216491 magmom=11.9985733 free_energy=-95.66224506 stress="-0.04798698258473552 0.003566482718457603 0.030429443306728848 0.003566482718457603 -0.0470402675719783 0.0034219175519253717 0.030429443306728848 0.0034219175519253717 -0.021721726037059897" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.83551000      -1.27366000       6.15637000       0.44666201      -2.01382776      -0.82102939
Cr      10.92337000       1.79588000       1.05854000      -0.73851079       0.96415443      -1.28516737
Cr      -0.36422000      -0.28951000       4.50881000      -2.07510243       0.79542953       1.39031686
Cr       5.00468000       0.93862000       2.79801000       4.43192668      -1.63681148       1.05348421
O        0.44575000      -0.14098000       6.37361000      -0.51404883       0.20245571       0.63349064
O        4.57061000       0.56749000       0.86938000       1.36586321       1.10101099      -0.25531921
O        2.93502000       0.24526000       5.55057000       0.48917867       1.21295499      -0.11306068
O        2.23920000       0.17889000       1.54768000      -2.85543084      -0.54293388      -0.12540988
O        5.84187000       0.94052000       4.78566000       0.20816421       0.15425571      -0.80050035
O       -1.02049000      -0.23779000       2.66701000      -1.84383492      -0.81733619       0.34547112
O        0.58282000       1.47520000       4.32670000       1.06574966      -1.02811194      -0.86002876
O        3.52156000       2.03066000       2.95194000       0.41402834       0.80766285       0.73193827
Zn      -2.87114000       0.16742000       6.35631000      -0.93846159      -0.07252002       0.54047853
Zn       0.08713000       0.41935000       1.33341000       0.52451469       0.23877765      -2.29513279
Zn       2.30891000      -0.27811000       3.37769000       0.01930192       0.63483941       1.86046881
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.50826342 magmom=11.999719 free_energy=-96.50826342 stress="-0.02653332476464008 0.01333157167112746 0.016739876872381335 0.01333157167112746 -0.0252727474513901 -0.012595257119607572 0.016739876872381335 -0.012595257119607572 -0.00099713113976304" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.91820000      -1.30417000       6.19902000       2.22563492      -1.54828808      -2.12159816
Cr      10.93614000       1.82004000       1.11087000      -1.83646600       1.31453406      -0.18602816
Cr      -0.39166000      -0.22041000       4.57023000      -0.89051247      -0.57409109       0.37699405
Cr       5.17947000       0.84837000       2.76458000      -0.15749929       0.75830424       1.68046540
O        0.40549000      -0.21828000       6.49275000      -0.87588935       1.00944131      -0.88518405
O        4.60283000       0.71101000       0.84678000       0.79892178      -0.73744170       0.53086762
O        2.97866000       0.17036000       5.51803000      -0.52667759       0.75664306       0.47696347
O        2.03570000       0.20437000       1.50106000      -0.09959850      -0.21684516       0.37084604
O        5.89335000       0.96370000       4.76645000      -0.43246676       0.03632621       0.25681042
O       -1.17666000      -0.27759000       2.72591000       2.00397606      -0.70930506      -1.10809690
O        0.60286000       1.46311000       4.28799000       0.17924141      -0.31511472      -0.06054493
O        3.58821000       2.05322000       2.98653000       0.60428333      -0.22865103       0.01701167
Zn      -2.85927000       0.05600000       6.33826000      -1.20913982       0.00044698       0.13563068
Zn       7.88948000       0.48827000       1.24532000      -0.10857376      -0.17289758      -1.17685944
Zn       2.33832000      -0.21635000       3.37308000       0.32476605       0.62693856       1.69272228
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.81682949 magmom=12.0002521 free_energy=-96.81682949 stress="0.01642522698705953 -0.012977111199898993 0.010417450774975133 -0.012977111199898993 -0.017364192791746422 -0.0037698145270551684 0.010417450774975133 -0.0037698145270551684 0.029648195169819324" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.87564000      -1.40279000       6.12691000       0.03812075      -0.05355322       0.48303490
Cr      10.85478000       1.90596000       1.13632000       0.43648554      -0.04381848      -0.31366589
Cr      -0.48334000      -0.18801000       4.64694000       1.86832321      -1.34786685      -0.77135475
Cr       5.36158000       0.79552000       2.82207000      -1.44854785       0.24783538      -0.78623815
O        0.30824000      -0.12419000       6.48162000       0.33566780      -0.37896080      -0.23223160
O        4.68621000       0.73897000       0.86834000      -1.18274824      -0.53200034      -0.07045974
O        2.87530000       0.21284000       5.60123000       0.59340796       0.51538677      -0.52912262
O        1.85096000       0.20897000       1.50446000       2.03340174       0.14400550       1.05503109
O        5.90181000       0.99822000       4.75995000      -1.30848274      -0.46342510       0.71311445
O       -1.01558000      -0.42854000       2.64008000       1.62276764       0.96685443       0.00181351
O        0.65937000       1.35925000       4.28573000       0.00042588       0.64213334      -0.17301079
O        3.80037000       2.02985000       2.98956000      -1.87340263      -0.19167086       0.34920480
Zn      -2.90666000      -0.05538000       6.33071000      -1.07499712       0.28771430      -0.06901507
Zn       7.82810000       0.55345000       1.09663000      -0.25834442      -0.20797103      -0.45637325
Zn       2.37269000      -0.12556000       3.45839000       0.21792249       0.41533697       0.79927310
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.65424186 magmom=12.00047 free_energy=-96.65424186 stress="0.03649054290956235 -0.014338020060815509 0.0038017613045424367 -0.014338020060815509 -0.009316535709119743 -0.004432140219630897 0.0038017613045424367 -0.004432140219630897 0.014305375888306061" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.83340000      -1.46976000       6.08904000      -1.46224673       1.79517998       1.77043483
Cr      10.80939000       1.96823000       1.14201000       0.64961005      -1.33965378      -0.06379653
Cr      -0.48150000      -0.22831000       4.67524000       1.62259428      -0.74796885      -0.95244635
Cr       5.42328000       0.77982000       2.82933000      -1.38825154       0.07396297      -1.32146244
O        0.32060000      -0.09730000       6.42907000      -0.00102784      -0.88384216       0.59381475
O        4.53439000       0.66159000       0.87205000       1.16763116       0.77623872      -0.23653496
O        2.84965000       0.27886000       5.61150000       1.83118604      -0.99019982      -0.64202868
O        2.04828000       0.25556000       1.65479000      -1.02350943       0.20108178      -0.18793116
O        5.78357000       0.94360000       4.81465000       0.42562454      -0.24579382      -0.18391764
O       -0.67456000      -0.44735000       2.59477000      -2.11294095       0.24498055       0.46673632
O        0.68590000       1.35307000       4.31345000      -0.48795976       0.35630149      -0.35073122
O        3.73203000       2.00210000       3.00704000       0.57121636       0.26874130       0.37304351
Zn      -2.99277000      -0.13424000       6.31948000      -0.81159939       0.59643263      -0.66919509
Zn       7.77394000       0.59916000       0.96136000       0.95198776      -0.44266722       0.99246890
Zn       2.41278000      -0.03306000       3.56149000       0.06768545       0.33720623       0.41154578
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.1291446 magmom=12.0002494 free_energy=-97.1291446 stress="0.015762581510763735 -0.01216889089934722 -0.004932206616555318 -0.01216889089934722 -0.011742227851637367 -0.00962797863215456 -0.004932206616555318 -0.00962797863215456 0.004926447388839592" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.86085000      -1.44572000       6.15042000      -0.13407278       0.23819580       0.29885461
Cr      10.81340000       1.95746000       1.15027000       0.90691234      -0.38149557       0.67697847
Cr      -0.39667000      -0.31362000       4.64762000      -0.34749240      -0.35544370      -0.66462215
Cr       5.39391000       0.77354000       2.76390000      -0.60723704       0.45638683       0.22415615
O        0.39525000      -0.21217000       6.47599000      -0.09091532       0.07829559      -0.33524149
O        4.53395000       0.68753000       0.81163000       1.25992504       0.40847168       0.57184046
O        3.01580000       0.19900000       5.55007000      -1.34523599       0.31927834       0.42903865
O        2.12909000       0.32809000       1.73692000      -1.65139534      -0.75300769      -0.04894233
O        5.82517000       0.83605000       4.77653000       0.51509580       0.16043336       0.04061017
O       -0.80378000      -0.39816000       2.65942000      -0.79689348       0.14567437      -0.72792009
O        0.63359000       1.39762000       4.35128000       0.58735728      -0.23227619      -0.32869989
O        3.77313000       2.03812000       3.02046000      -0.10615521      -0.12836552      -0.16399910
Zn      -3.11089000      -0.17969000       6.27312000       0.62962366       0.62577534      -0.77768097
Zn       7.76780000       0.61967000       0.88968000       0.95899916      -0.72864854       1.65478206
Zn       2.45718000       0.07227000       3.67735000       0.22148427       0.14672591      -0.84915456
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.17867114 magmom=11.9999458 free_energy=-96.17867114 stress="-0.039282378879411 0.017620533949561427 -0.0028124100249010448 0.017620533949561427 -0.03307722163211833 -0.020615027726161663 -0.0028124100249010448 -0.020615027726161663 -0.01095678512724432" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.91064000      -1.39867000       6.24839000       0.83956659      -1.91610677      -1.35698452
Cr      10.86927000       1.90245000       1.20314000      -0.50961179       0.18544634      -0.33062131
Cr      -0.31998000      -0.43652000       4.56277000      -0.83569556       0.85253976      -0.25522997
Cr       5.31460000       0.80497000       2.70159000      -0.01947584       1.45494357       1.69677391
O        0.48280000      -0.29517000       6.50917000      -1.88626139       1.32868976       0.12296205
O        4.72600000       0.78364000       0.84300000      -1.19944271      -0.63831380       0.29845306
O        2.91117000       0.15089000       5.58053000      -0.13608313       1.15835520       0.87933585
O        1.98057000       0.29903000       1.76288000       0.62987002      -0.30173948      -0.16213867
O        6.02484000       0.74998000       4.69138000      -1.77290976       0.38052623       0.88956982
O       -1.13160000      -0.34294000       2.62676000       3.84186865      -1.01453511      -1.19231349
O        0.67760000       1.36320000       4.37986000       1.25629031      -0.86825676      -0.52620948
O        3.79979000       2.06781000       2.95778000      -2.09356659      -0.59846956       1.18466975
Zn      -3.21407000      -0.20381000       6.17913000       1.85974925       0.54819807       0.28462348
Zn       7.81408000       0.60709000       0.89461000       0.69749766      -0.60110899       0.80696942
Zn       2.51893000       0.21243000       3.77105000      -0.67179570       0.02983157      -2.33985991
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.44268114 magmom=11.9999303 free_energy=-96.44268795 stress="0.001975347479742728 -0.004717302338506324 -0.0035323758108354495 -0.004717302338506324 -0.0075463666945551275 -0.00828328757747905 -0.0035323758108354495 -0.00828328757747905 0.006243102027668784" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.94849000      -1.43181000       6.28155000      -1.25673260       0.65426366      -0.36652065
Cr      10.88264000       1.83888000       1.23765000      -2.25089819       0.66082087      -1.18005640
Cr      -0.29064000      -0.52342000       4.45485000       0.53132108       1.34727603       0.73139721
Cr       5.26521000       0.89540000       2.73659000       1.35574015      -1.32931209       1.17465624
O        0.34119000      -0.17335000       6.55412000      -0.27897887      -0.85126445      -0.37413509
O        4.65909000       0.75187000       0.95135000      -0.97085132      -0.72134421      -0.51088202
O        2.72223000       0.28843000       5.78439000       2.56277400      -0.77244820      -0.64700541
O        1.98014000       0.21917000       1.72494000       0.52720696      -0.10162573      -0.35913519
O        5.99538000       0.73190000       4.69717000      -0.59433940      -0.29883697      -0.57878336
O       -0.96311000      -0.41462000       2.41964000      -0.32910812       0.36203369       1.26988494
O        0.86823000       1.18768000       4.35744000      -2.03089516       0.83763546      -0.20627879
O        3.53759000       2.02749000       3.07868000       1.65400599       0.55269808       1.01350114
Zn      -3.22830000      -0.20496000       6.09455000       0.96688087       0.52587502       1.08084868
Zn       7.90893000       0.56411000       0.94270000       0.66997506      -0.24269156      -0.52639037
Zn       2.55457000       0.36926000       3.75878000      -0.55610045      -0.62307961      -0.52110093
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.11328728 magmom=12.011356 free_energy=-96.11541803 stress="-0.02171356836590784 -0.017670068357297553 0.001037152757334755 -0.017670068357297553 -0.02791898354356514 0.0017060196700630823 0.001037152757334755 0.0017060196700630823 0.02989008815775126" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.03497000      -1.45104000       6.27831000       0.31207651       0.70501810       0.27302260
Cr      10.76489000       1.80602000       1.20859000       0.21298407       0.65872459       0.15059123
Cr      -0.26171000      -0.53089000       4.39145000      -1.45905150       0.78021288       1.45457514
Cr       5.30309000       0.91623000       2.82429000      -0.76746661      -1.91211079      -1.58742336
O        0.20609000      -0.16710000       6.55342000       0.55674603      -0.96216359      -0.99162232
O        4.38898000       0.59606000       0.98435000       1.98997062       0.60770025      -0.20412004
O        2.86217000       0.32494000       5.91884000      -1.31837072      -0.48081037      -1.12660208
O        2.09055000       0.14576000       1.61870000      -2.40112660      -0.09907522       1.34046720
O        5.90145000       0.70497000       4.60635000       1.08947285       0.23031027       0.84099291
O       -0.84621000      -0.47142000       2.46888000      -0.74441191       0.60709247       0.59660214
O        0.71014000       1.15751000       4.34562000       0.84374664       0.68053896      -0.39691538
O       -3.73291000      -0.81602000       3.31091000       0.99251437       0.18740279      -1.18033817
Zn      -3.17961000      -0.18459000       6.06609000       1.34092108       0.03008302       1.18856474
Zn       8.03368000       0.51189000       0.96737000      -0.00159758      -0.30508705      -0.91451381
Zn       2.55424000       0.48818000       3.71036000      -0.64640726      -0.72783631       0.55671920
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.30326795 magmom=12.0012568 free_energy=-96.30326945 stress="-0.031130950472298892 -0.006236201246658461 -0.0021007100629888307 -0.006236201246658461 -0.026716631746022297 -0.005404296253977645 -0.0021007100629888307 -0.005404296253977645 0.017491502064239835" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.10536000      -1.43548000       6.27869000       2.08937875      -0.88400098      -1.19184388
Cr      10.64610000       1.80588000       1.17286000       1.48544741      -0.13438155       0.37187900
Cr      -0.31569000      -0.47511000       4.41536000      -0.24137818       0.99146699       2.10594057
Cr       5.32890000       0.82644000       2.82442000       0.25639556      -0.10113341      -0.87092658
O        0.24120000      -0.31507000       6.45679000      -0.97968533       0.81432634       0.88055522
O        4.38331000       0.55304000       0.96433000      -0.06469299       0.68004892       0.00900678
O        2.77824000       0.23307000       5.82452000       0.15539638      -0.01743655      -0.77406575
O        1.89822000       0.08503000       1.73492000       1.45868998       0.32134418       1.11873827
O        5.99966000       0.74285000       4.64366000      -0.85859439       0.13749198       1.08065707
O       -0.93929000      -0.44519000       2.66066000      -0.17113564       0.54303320      -2.63312784
O        0.63834000       1.25930000       4.31368000       1.78517540      -0.10243159      -0.18645354
O       -3.51465000      -0.73617000       3.28561000      -2.01066002      -2.08161867      -0.56723228
Zn      -3.06560000      -0.16186000       6.09985000      -0.19591770       0.26006510       0.71553811
Zn       8.14585000       0.45066000       0.94126000      -2.40233607      -0.12568904      -1.17927687
Zn       2.52419000       0.56540000       3.69284000      -0.30608315      -0.30108494       1.12061171
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.26090732 magmom=11.9999782 free_energy=-96.26090732 stress="-0.01605667270138711 0.010515946064415322 0.011795343780864637 0.010515946064415322 -0.020515053192817132 -0.020929487226730603 0.011795343780864637 -0.020929487226730603 0.015417872055619999" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.06624000      -1.46046000       6.21770000       0.71940333      -0.87014559      -0.37787001
Cr      10.61433000       1.80075000       1.16654000       1.67172484       0.28546444       1.80566340
Cr      -0.39113000      -0.35925000       4.53336000       1.97316569       0.09036457      -0.57063246
Cr       5.34427000       0.71429000       2.76154000      -2.16329126       1.57567562      -0.13901911
O        0.21057000      -0.33260000       6.48548000      -0.53729411       0.68503315       0.06281788
O        4.37974000       0.63347000       0.91397000      -0.12173866      -0.58449373      -0.01829030
O        2.65956000       0.12584000       5.60502000       2.20070333       0.94659343       1.17838995
O        1.90025000       0.08165000       2.00547000      -0.03897483       0.13596881      -2.71402845
O        5.99789000       0.83439000       4.84658000      -1.38255589      -0.08196968      -1.14333371
O       -1.05425000      -0.36679000       2.53517000       2.00472034      -1.40680123      -0.00291157
O        0.75991000       1.35756000       4.31025000      -2.53700740      -0.34117550       0.19249943
O        3.73478000       1.94518000       3.08952000       0.01521391       0.48954892      -0.40613643
Zn      -2.94788000      -0.13407000       6.17803000      -1.01787133      -0.05794704       0.25965884
Zn       8.16084000       0.38492000       0.86071000      -0.81580271      -0.24506770       0.81835714
Zn       2.48140000       0.62730000       3.72761000       0.02960475      -0.62104847       1.05483540
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.35895389 magmom=12.0000455 free_energy=-96.35895389 stress="-0.0039051910249918937 -0.011960622799770667 -0.0029499170682193996 -0.011960622799770667 -0.027397296740032422 -0.019282679611548607 -0.0029499170682193996 -0.019282679611548607 -0.007908218785313085" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.97650000      -1.51641000       6.14412000      -0.73961174       0.79692545       2.10610334
Cr      10.67601000       1.80635000       1.24036000       0.19351737      -0.12214388      -2.63349975
Cr      -0.39338000      -0.25023000       4.62398000      -2.61460461      -1.78925378      -1.13615803
Cr       5.28741000       0.68084000       2.67705000       1.13385485       0.34806144      -0.26099967
O        0.16258000      -0.19829000       6.51855000       0.76071434      -0.30435047      -0.66952887
O        4.33972000       0.58978000       0.83924000       1.49872282      -0.24326053      -0.08457595
O        2.85843000       0.14255000       5.63329000       0.07373057       0.19749743       0.08211267
O        1.99169000       0.11728000       1.83300000      -1.20815479       0.26292623       0.45807003
O        5.81945000       0.91036000       4.78497000      -0.05822188      -0.34280600      -0.91472453
O       -0.96253000      -0.48613000       2.43940000      -0.40999386       0.18131705       0.70165926
O        0.48783000       1.37948000       4.38206000       2.26017115       0.54999305      -0.98281871
O        3.69224000       1.82236000       2.85730000       0.58025157       1.20870854       3.00159031
Zn      -2.88483000      -0.11939000       6.26722000      -0.59343264      -0.35523042      -0.91749357
Zn       0.26117000       0.32407000       0.81583000      -0.50763278       0.06030431       1.83713639
Zn       2.43362000       0.65374000       3.80145000      -0.36931039      -0.44868842      -0.58687293
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.46020975 magmom=12.000209 free_energy=-96.46020975 stress="0.023126626077903133 -0.02772066772377659 0.0005148189215169953 -0.02772066772377659 -0.015156863647076881 -0.013071271617696546 0.0005148189215169953 -0.013071271617696546 0.004638855799985969" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.91898000      -1.51450000       6.18024000       0.29634171       1.87413328      -0.31843553
Cr      10.75629000       1.80960000       1.19805000       0.16766637       0.10332715      -0.85609995
Cr      -0.52304000      -0.24178000       4.63291000      -0.17529470      -1.00415741      -2.21200554
Cr       5.29964000       0.68666000       2.58856000       0.66875128       0.27519876       1.26194118
O        0.29303000      -0.13359000       6.43498000      -0.46168710      -1.44632810       0.61635903
O        4.51267000       0.49437000       0.77648000       0.07903248       0.94146826       1.03456291
O        3.00776000       0.19146000       5.73543000      -1.05599264      -0.08944053      -0.41012418
O        1.97300000       0.18432000       1.66447000       0.25071691      -0.43239576       1.02706127
O        5.70372000       0.90942000       4.54150000       0.80356624      -0.32180274       1.74228491
O       -0.98065000      -0.57194000       2.49862000       0.42928531       1.43381395      -0.45624727
O        0.51144000       1.44152000       4.34602000       1.09601446      -0.23803272      -0.20163692
O        3.73820000       1.94064000       3.00767000      -1.24988230      -0.71046308      -0.40048681
Zn      -2.86106000      -0.13363000       6.30469000      -0.83457652      -0.27622839      -1.52566849
Zn       0.19066000       0.27947000       0.86527000      -0.42885839       0.18275077       1.61041533
Zn       2.37369000       0.65338000       3.85189000       0.41491687      -0.29184344      -0.91191994
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.87486148 magmom=11.9995348 free_energy=-95.87486148 stress="0.0065045404262586036 0.01690966970699664 0.010635386947221643 0.01690966970699664 -0.02075997892379182 -0.017695454740716186 0.010635386947221643 -0.017695454740716186 -0.0062466587953347325" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.85250000      -1.41353000       6.21720000      -0.71170721      -0.62270074      -1.06685362
Cr      10.83569000       1.81665000       1.08804000      -0.29653651       0.13682914       1.78202946
Cr      -0.67814000      -0.31255000       4.52365000       5.65780361      -0.57298318       0.20838152
Cr       5.36304000       0.71987000       2.58307000      -2.93858840       0.85063405       2.09625824
O        0.42310000      -0.27714000       6.42769000      -1.29263160       0.68256014       0.02751472
O        4.68677000       0.55462000       0.85896000      -1.03077998       0.33891162      -1.02736820
O        2.92764000       0.22368000       5.79274000       1.17269351       0.47603684      -0.28014029
O        2.06722000       0.19935000       1.66214000      -0.52573887      -0.39265653      -0.34393298
O        5.76598000       0.85273000       4.54838000      -1.31683706       0.64900105       1.22207964
O       -1.01012000      -0.42263000       2.51830000       1.26862497      -0.53730035      -0.12379252
O        0.72885000       1.48712000       4.30706000      -2.22113483      -0.04932676       0.35098395
O        3.63070000       1.99134000       3.08309000       0.86621335      -0.10419290      -1.29879021
Zn      -2.87936000      -0.17346000       6.26726000      -1.17722354       0.08957335      -0.05216824
Zn       0.09334000       0.25011000       1.00326000       1.18806564       0.21938920       0.05020431
Zn       2.33343000       0.62914000       3.85339000       1.35777692      -1.16377494      -1.54440576
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.12836976 magmom=12.0003938 free_energy=-96.12839244 stress="-0.0010050024130273465 0.011127333415399692 0.0167041431029225 0.011127333415399692 -0.00632068386751484 -0.012479137918025972 0.0167041431029225 -0.012479137918025972 -0.025220323530762635" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.82447000      -1.31585000       6.18658000      -1.80046423      -1.29710952       0.23728849
Cr      10.88916000       1.82740000       1.06174000      -0.64932142       0.48239615       0.44473399
Cr      -0.55027000      -0.41795000       4.42112000       2.40912401       1.70997187       3.61267455
Cr       5.28400000       0.80150000       2.69700000      -1.18684096       0.18695036      -0.08458893
O        0.39537000      -0.31161000       6.48582000      -0.43488114       1.22428168      -1.57281024
O        4.65134000       0.70047000       0.83049000       0.51668743      -0.45567730       0.17214355
O        2.95230000       0.32514000       5.80168000       0.59970943       0.38884149      -1.48902699
O        2.17239000       0.16909000       1.58953000      -1.65130294       0.08758027       0.91112387
O        5.74387000       0.85850000       4.75780000       0.25170789      -0.44434941      -1.25239893
O       -0.95979000      -0.32992000       2.57594000      -1.25221971      -1.03468352       0.41354191
O        0.60567000       1.50040000       4.36316000       0.56810706      -0.97596314      -1.18136911
O        3.66960000       2.01851000       2.86862000       0.56048366      -0.16724993       1.97066790
Zn      -2.95308000      -0.22298000       6.22165000      -0.18005637       0.08160563       1.29744870
Zn       0.04486000       0.23882000       1.14948000       1.99440343       0.54153798      -2.40370208
Zn       2.34940000       0.54397000       3.77070000       0.25486387      -0.32813261      -1.07572668
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.68646672 magmom=12.0009241 free_energy=-96.6864703 stress="-0.019155255152004277 0.01762945692959646 0.004899725309985 0.01762945692959646 -0.01250392614017602 -0.011382224346086278 0.004899725309985 -0.011382224346086278 0.013161312090218213" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.89017000      -1.27626000       6.14793000       0.25866936      -0.36250511      -0.63452155
Cr      10.88940000       1.85791000       1.06893000      -0.88792023       0.84797915       0.07493994
Cr      -0.30435000      -0.43716000       4.50355000      -3.46434890       1.21351976       1.03202020
Cr       5.16022000       0.88648000       2.82733000       3.04044267      -1.87419595      -0.14067654
O        0.35649000      -0.10851000       6.38704000       0.56203908      -0.08714034       0.16449192
O        4.60554000       0.75554000       0.78396000       0.20528064      -0.66174032       0.39991003
O        3.00424000       0.46381000       5.58217000      -1.10499255      -0.57164662      -0.27782082
O        2.08611000       0.18024000       1.62216000      -0.17869914       0.25181332       0.65089157
O        5.77515000       0.83437000       4.75832000       0.81967183       0.01407475       0.07186224
O       -1.10149000      -0.42082000       2.72226000       1.16136950       0.95325370      -1.08253829
O        0.60903000       1.32799000       4.27800000       1.98070311      -0.14766353      -0.63420213
O        3.74359000       2.05232000       2.88940000      -3.13757867       0.40035347       1.11627716
Zn      -3.03421000      -0.27442000       6.23204000       0.40431791       0.20272244       0.67986531
Zn       0.08097000       0.25385000       1.19422000      -0.04583898      -0.19758279      -1.07696838
Zn       2.38656000       0.43457000       3.63253000       0.38688438       0.01875808      -0.34353067
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.67365986 magmom=11.9982267 free_energy=-96.67365987 stress="-0.008329702965791773 -0.009281277018369534 -0.0034573874740689266 -0.009281277018369534 -0.009718486974441814 -0.00620024674622939 -0.0034573874740689266 -0.00620024674622939 -0.0013974287484497538" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.92039000      -1.26169000       6.08749000       1.95335789       0.27093553      -0.63124243
Cr      10.84287000       1.91742000       1.08475000      -0.54225470       0.23976801       0.49033889
Cr      -0.27541000      -0.38975000       4.60983000      -1.52612361       0.21083501      -2.06216695
Cr       5.19320000       0.87656000       2.91808000       0.39913057      -0.63325891      -1.04638190
O        0.44068000       0.00678000       6.36518000      -0.88258672      -1.39203523       1.09687162
O        4.54181000       0.69705000       0.80420000       0.14185038       0.48233597       0.62525380
O        2.87278000       0.46270000       5.43018000       0.83495374      -0.65754751       1.69476184
O        2.01040000       0.24462000       1.67476000      -0.01866369      -0.08980844      -1.68807599
O        5.94829000       0.83023000       4.73316000      -0.23474699      -0.17245081       1.26912108
O       -1.08785000      -0.38508000       2.69233000       0.37410967       0.29191453      -0.33170382
O        0.79459000       1.21482000       4.16739000      -1.69813479       1.74653343       0.73454624
O       -3.81846000      -0.80787000       3.04699000       1.67957938      -0.28861713      -0.44550432
Zn      -3.08308000      -0.30903000       6.27135000      -0.17636191       0.41981687       0.23250947
Zn       0.11288000       0.26369000       1.17343000      -0.39992936      -0.17711788      -0.81327036
Zn       2.43411000       0.34805000       3.51951000       0.09582016      -0.25130344       0.87494283
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.90617884 magmom=12.0003859 free_energy=-96.90617884 stress="-0.032077503611516935 0.004104325843124924 0.012377208306845867 0.004104325843124924 -0.025843561934716756 -0.013767336861391807 0.012377208306845867 -0.013767336861391807 0.03884052917894132" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.85373000      -1.25743000       6.02409000      -1.38199105      -1.84888772       2.62436909
Cr      10.78382000       1.98252000       1.12056000       1.01207669      -0.44271885      -0.85515843
Cr      -0.35540000      -0.32840000       4.60131000       0.88610149       0.09487951       0.02682672
Cr       5.27715000       0.82815000       2.93867000      -0.47575513       0.55742365      -1.42768094
O        0.43741000      -0.12807000       6.47223000      -0.24594237       0.42920510      -1.40708087
O        4.46154000       0.72920000       0.92104000       1.30721709       0.58419914       0.19241925
O        2.87393000       0.34391000       5.59559000       1.43116256       0.96772655      -0.99974118
O        1.98711000       0.29673000       1.44646000      -0.33002894      -0.18582235       1.35189322
O        6.05045000       0.83036000       4.87625000      -2.26149817       0.52181743      -0.21961444
O       -1.04102000      -0.31683000       2.63273000       0.10158957      -0.68701129       0.57760102
O        0.66671000       1.42661000       4.23257000       0.84135095      -0.14613735      -0.58184377
O       -3.74262000      -0.82359000       3.07243000       0.48153686      -0.47135670       0.41743318
Zn      -3.13094000      -0.32202000       6.31998000       0.22719132       0.46405312       0.38663693
Zn       0.11524000       0.26815000       1.10880000      -0.77141658      -0.04515417      -0.91380216
Zn       2.47256000       0.26787000       3.46585000      -0.82159430       0.20778392       0.82774238
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.60893625 magmom=12.0000435 free_energy=-96.60893625 stress="-0.0033505250172228707 0.016245305568747943 0.0032171368456408327 0.016245305568747943 0.007017731456089913 -0.023999407762422896 0.0032171368456408327 -0.023999407762422896 0.03226361431624755" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.83448000      -1.34437000       6.09963000      -0.27939061       0.02005023       0.74831450
Cr      10.79220000       2.03063000       1.10519000       1.39287893      -0.60618243      -0.02595058
Cr      -0.43981000      -0.24150000       4.59249000      -0.06340380       0.15006085       0.86010968
Cr       5.35654000       0.80134000       2.86744000      -1.29155529       0.52450402       0.36016355
O        0.42172000      -0.20625000       6.38709000       0.32839027       1.25207829       0.93327258
O        4.54505000       0.84438000       1.05618000       0.19790026      -0.86673651      -2.11645277
O        3.03718000       0.32656000       5.66304000      -1.43647260       0.19298001      -0.70579581
O        1.97539000       0.33169000       1.40197000       0.07471676       0.00575952       1.42804537
O        5.83513000       0.92952000       4.94731000       0.56031513       0.07199438      -1.02113990
O       -1.00055000      -0.37655000       2.70390000       1.02379390       0.05114965      -0.55700948
O        8.51656000       1.65237000       4.27631000       0.97051244      -1.36177931      -0.63287616
O        3.77678000       1.99345000       3.11040000      -2.16966640       0.37870094       0.01036598
Zn      -3.17003000      -0.31811000       6.39645000       0.88318570       0.00803103      -0.35030440
Zn       0.06936000       0.27463000       0.98467000      -0.27842556      -0.01128785       0.36600175
Zn       2.47728000       0.18602000       3.45668000       0.08722085       0.19067719       0.70325568
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.87026607 magmom=11.998872 free_energy=-95.87026607 stress="0.04185670361767896 -0.021296736837267426 -0.005075860254370277 -0.021296736837267426 -0.007994733466778597 -0.009182865752125199 -0.005075860254370277 -0.009182865752125199 -0.004695313401991692" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.83908000      -1.44566000       6.23626000       1.25768588       3.61008012      -3.38052565
Cr      10.89577000       2.04081000       1.08439000      -0.74556631      -1.07283800       1.89203012
Cr      -0.54058000      -0.13401000       4.64263000       2.41096171      -0.06285006      -0.19268332
Cr       5.37355000       0.80680000       2.77654000      -0.88739433       0.11297678       0.95761152
O        0.47532000      -0.05141000       6.43337000      -1.98364435      -1.91407932       0.63922161
O        4.68211000       0.79791000       0.85799000      -0.03624899      -0.14730944       0.71250865
O        2.95241000       0.36293000       5.61865000       0.72550999      -0.55230337       0.74556589
O        2.04082000       0.38212000       1.62013000      -0.06034107      -0.22650159      -1.47021647
O        5.71201000       1.09120000       4.77303000       0.94357214      -0.79904889       0.38539149
O       -0.85061000      -0.43978000       2.73348000      -0.85449812       1.00119909      -1.40795431
O        8.66496000       1.61838000       4.28789000      -1.69197700      -1.40485819       0.93455645
O        3.69472000       1.95940000       3.10151000       0.48136953       0.75933034      -1.32556185
Zn      -3.18257000      -0.31495000       6.46405000      -0.81278260       0.07017968      -2.58467919
Zn       7.85730000       0.28812000       0.85334000       1.46353160       0.08069165       2.81315859
Zn       2.48476000       0.09682000       3.49011000      -0.21017808       0.54533120       1.28157646
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.32630324 magmom=11.9998261 free_energy=-95.32630341 stress="0.001882408119583017 -0.027288630093833914 -0.020980086804172647 -0.027288630093833914 -0.05120755793392738 -0.0011897321276902757 -0.020980086804172647 -0.0011897321276902757 -0.06027963171237408" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.80103000      -1.39066000       6.19170000      -3.08282950      -0.03817865       0.56327076
Cr      10.96611000       1.98251000       1.15533000      -1.10574822       0.14424964      -2.26743197
Cr      -0.54083000      -0.03271000       4.68835000       1.06119596      -2.76140084      -0.26542499
Cr       5.35626000       0.83955000       2.72817000       0.27128863       1.05809998      -0.84095436
O        0.29818000      -0.07173000       6.59484000       0.32040974      -0.40747213      -2.04515345
O        4.78035000       0.68104000       0.75926000       0.12279140       0.83949636       1.80220318
O        2.84639000       0.28970000       5.67848000       2.29340576      -0.14383556      -1.21149853
O        2.18415000       0.39698000       1.61901000      -1.47428169      -1.55793083       0.50635926
O        5.84821000       1.13078000       4.56834000      -1.39030956      -0.36352376       1.78227671
O       -0.89948000      -0.31425000       2.56738000       0.02695712       0.29316971      -0.12962986
O        0.69378000       1.30536000       4.48897000       1.24007433       2.44539638      -2.15853917
O        3.69849000       2.08868000       2.86651000       1.21793927       0.03272520       3.47526868
Zn      -3.22053000      -0.30944000       6.42311000      -0.14552592       0.28530982      -1.72033928
Zn       7.84471000       0.31061000       0.83933000       1.34508355       0.07444887       2.46018080
Zn       2.47824000       0.01726000       3.59550000      -0.70045086       0.09944582       0.04941222
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.99324333 magmom=12.0005754 free_energy=-95.99324333 stress="-0.014649158329548384 -0.006036451902019915 -0.007289859843397361 -0.006036451902019915 -0.032952497692569 -0.002412687109408606 -0.007289859843397361 -0.002412687109408606 -0.01712563605896302" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.88019000      -1.33078000       6.14608000      -1.11133666      -1.49177953       1.76717581
Cr      10.95052000       1.91355000       1.15666000       0.33416401      -0.06176163       0.73949247
Cr      -0.51689000      -0.07860000       4.70425000       0.45794553      -1.67540543      -2.02809960
Cr       5.37853000       0.95011000       2.67749000      -0.32396536       1.59900504       1.39467886
O        0.21446000      -0.19197000       6.48138000       1.86994716       0.40832713       0.44131496
O        4.77629000       0.69333000       0.89787000      -1.47849987       0.19312705      -2.68675083
O        2.93384000       0.21440000       5.55798000      -0.26668930       1.33948495       0.60274581
O        2.20294000       0.20673000       1.63451000      -1.20618037       0.27287944       0.70210658
O        5.87240000       1.07734000       4.60852000      -0.66960316       0.39533003       1.27217610
O       -1.00620000      -0.14884000       2.44259000       2.08844889      -1.20872738       0.90123578
O        0.76190000       1.36676000       4.38273000      -0.46047569       0.35807341      -0.90666151
O       -3.41788000      -0.69789000       3.02099000      -2.02982699      -0.93320473      -0.00611072
Zn      -3.24484000      -0.28737000       6.31982000       1.21474877       0.17740452      -0.08202401
Zn       7.89868000       0.33583000       0.92198000       1.11056040       0.14878264       0.17241333
Zn       2.44135000      -0.05644000       3.70744000       0.47076263       0.47846448      -2.28369303
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.50613539 magmom=11.9995437 free_energy=-96.5061354 stress="-0.017314057395338072 0.004255319570570032 0.0034862074052803456 0.004255319570570032 -0.014690789276557642 -0.011626381560042297 0.0034862074052803456 -0.011626381560042297 0.027549991465959607" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.99292000      -1.35466000       6.17009000       2.50682393      -0.52784285      -2.44712269
Cr      10.91238000       1.85803000       1.17832000      -1.33250635       0.53484223       0.83429923
Cr      -0.50062000      -0.22097000       4.63499000       1.87197748       1.03377855      -1.32397078
Cr       5.39241000       1.09830000       2.69382000      -0.87362841      -2.03974484       0.98844490
O        0.43477000      -0.19539000       6.40634000      -2.22100313       0.94196659       0.90722234
O        4.53946000       0.74108000       0.74777000       1.29309265      -0.68894272       1.93318353
O        2.92651000       0.35804000       5.56625000      -0.69777000      -0.10731037       0.73099754
O        2.09478000       0.08279000       1.73335000      -0.01079326       1.13207680      -0.53761210
O        5.84745000       1.06258000       4.79434000      -0.31789919      -0.86923055      -0.48291731
O       -0.90578000      -0.17260000       2.55099000      -0.29736838       0.34465296       0.64133649
O        0.71962000       1.44878000       4.20147000      -1.78817631      -1.19237130       1.43208775
O       -3.47667000      -0.70597000       3.13590000      -0.28870075       0.17005874      -1.60174837
Zn      -3.21166000      -0.26424000       6.23308000       0.54402803       0.10412966       0.42929449
Zn       8.00202000       0.36895000       0.99418000       0.73650736       0.01983901      -0.52348187
Zn       2.43939000      -0.07851000       3.70088000       0.87541632       1.14409809      -0.98001314
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.39281754 magmom=11.9997456 free_energy=-96.39281754 stress="-0.034490435475464404 -0.0015371622629034934 -0.002938105617625051 -0.0015371622629034934 -0.03189737780874751 -0.010962564515034521 -0.002938105617625051 -0.010962564515034521 0.009839353018475903" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.98794000      -1.38014000       6.10877000      -0.89242463       1.42615512       1.78264534
Cr      10.82884000       1.84575000       1.22677000       0.28579497       1.08081117      -2.15836620
Cr      -0.42748000      -0.29537000       4.53675000      -1.23766337      -0.15907231       2.78221451
Cr       5.36107000       1.10934000       2.76454000      -0.83474689      -2.56960017       0.02955887
O        0.36249000      -0.09271000       6.47756000      -0.90607410      -1.08108215      -0.13230056
O        4.48050000       0.67758000       0.85133000       1.11545847       0.31085996       0.13124773
O        2.81100000       0.43795000       5.69249000       1.12359859      -1.38218307      -1.65302142
O        2.03475000       0.18503000       1.72588000      -0.11541860      -0.09199879       0.66135554
O        5.83439000       0.94088000       4.82782000      -0.72987079      -0.22473553      -0.68497600
O       -0.91762000      -0.18331000       2.72565000      -0.42109087       0.36743896      -2.25018784
O        0.44314000       1.33414000       4.31531000       3.21431857       1.90595264      -0.83402717
O       -3.57064000      -0.70956000       2.94576000      -0.05678502       0.04424049       1.63382169
Zn      -3.15599000      -0.24566000       6.18879000       0.44851876       0.38729212       0.64880759
Zn       8.10929000       0.40072000       1.02377000      -0.93659255      -0.18319680      -0.71332381
Zn       2.47749000      -0.04128000       3.64362000      -0.05702253       0.16911837       0.75655175
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.08208269 magmom=11.9996699 free_energy=-97.08208269 stress="0.0036631126579974127 -0.00010307438509341155 -0.0065172269489154186 -0.00010307438509341155 0.002995799899765958 -0.015243538685394855 -0.0065172269489154186 -0.015243538685394855 -0.006209713436607401" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.00439000      -1.34526000       6.14995000       0.23432941      -0.32220281       1.46622094
Cr      10.78041000       1.90396000       1.16570000       1.35339701       0.72561290       0.55113304
Cr      -0.42060000      -0.33481000       4.56406000      -0.84311863       0.84203315      -0.20703746
Cr       5.28367000       0.96978000       2.82449000      -0.68430757      -0.49591621      -1.34534262
O        0.16028000      -0.14507000       6.51246000       1.13186451      -0.05264187      -0.70435731
O        4.56636000       0.67935000       0.96085000      -0.73988952       0.56705809      -1.80742281
O        2.80869000       0.28326000       5.54374000       0.21111342       0.35214521       0.91547985
O        2.02048000       0.29114000       1.79101000      -0.06552172      -0.51764706      -0.44842142
O        5.75867000       0.79924000       4.70828000       0.96589200       0.90814439       0.79204955
O       -1.02960000      -0.18355000       2.60340000       1.03421890      -0.77669341       0.16963717
O        0.64691000       1.47965000       4.34962000      -0.80547966      -0.97957255      -0.69936197
O       -3.63915000      -0.74886000       2.98770000       0.15603975      -0.57525397       0.65494398
Zn      -3.08255000      -0.21542000       6.18678000      -0.18833829       0.30476586       0.73161607
Zn       8.15434000       0.42692000       1.01005000      -1.56820263      -0.28204306      -0.66319521
Zn       2.51202000       0.00359000       3.63139000      -0.19199697       0.30221133       0.59405819
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.70694678 magmom=11.9983232 free_energy=-96.70694678 stress="0.0009724403538119586 -0.0011663613148136635 0.0012110592520262547 -0.0011663613148136635 -0.011821791988540293 -0.0200996430056009 0.0012110592520262547 -0.0200996430056009 0.003394097067328771" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.01847000      -1.31374000       6.25970000       0.78951426      -1.52969943      -3.62639403
Cr      10.80444000       2.01239000       1.11253000      -0.58312181      -0.87798548       1.30872230
Cr      -0.47073000      -0.32947000       4.59331000       1.86284457       0.16411905      -2.04308528
Cr       5.17827000       0.75874000       2.80655000       2.44107088       1.30592247      -0.99517475
O        0.21941000      -0.21829000       6.44905000       0.05532723       0.73327979       0.65545611
O        4.48356000       0.79997000       0.80369000       0.42523390      -0.31212493       2.20165353
O        2.85957000       0.14275000       5.59801000       0.80780498       1.45355349       1.11707247
O        2.06000000       0.32762000       1.74174000      -0.24422579      -0.00944219      -0.53887378
O        5.86164000       0.83770000       4.66063000      -0.78815521       0.27441417       0.89163416
O       -1.05960000      -0.34580000       2.48950000       0.07235007      -0.39637854       0.72445178
O        0.73658000       1.46587000       4.32860000      -1.51670540      -0.87484161       0.11988570
O        3.67227000       2.00252000       3.14172000      -0.66741972      -0.09556437      -0.93269115
Zn      -3.00739000      -0.16971000       6.22603000      -0.76025971       0.26302649       0.21212750
Zn       8.11413000       0.44938000       0.95614000      -0.82090374      -0.33595203       0.23839806
Zn       2.53381000       0.07498000       3.65182000      -1.07335451       0.23767312       0.66681739
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.23527182 magmom=11.9996058 free_energy=-96.23527182 stress="-0.024082785654888517 -0.0187471428618165 0.013448937651606008 -0.0187471428618165 -0.03713563160738889 -0.008641085939131437 0.013448937651606008 -0.008641085939131437 0.02824840683132755" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.97395000      -1.35042000       6.20065000       1.17717413      -0.62159822       0.05746749
Cr      10.80250000       2.07616000       1.13754000      -1.06868227      -2.14150954      -0.19431567
Cr      -0.44883000      -0.31350000       4.51641000      -0.10467453      -1.16871953       0.08359335
Cr       5.21137000       0.59527000       2.73171000       1.36349589       1.69737155       0.94347565
O        0.38031000      -0.15223000       6.44692000      -1.11731463       0.25006947      -0.04763036
O        4.41405000       0.83922000       0.89437000       1.94650637      -0.65850937      -0.15311787
O        2.98659000       0.23444000       5.92929000      -0.93160836       0.58977089      -1.73551866
O        2.06466000       0.36312000       1.55782000      -1.55965144      -0.12848657       1.10614481
O        5.90568000       0.92123000       4.74653000      -1.37126208      -1.42150929      -0.06034684
O       -1.09684000      -0.60044000       2.54174000       0.63358336       0.81500096       0.00396428
O        0.54316000       1.28273000       4.35121000       2.35411877       1.84023042      -1.04120093
O        3.62105000       1.82146000       3.09663000      -0.83660951       0.95398601       0.27116294
Zn      -2.95580000      -0.11113000       6.28661000      -0.13345307       0.13113328      -0.28197322
Zn       8.01819000       0.46411000       0.90513000       0.09106705      -0.19226748       0.70747387
Zn       2.50417000       0.17152000       3.70394000      -0.44268967       0.05503741       0.34082117
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.20350002 magmom=12.0003524 free_energy=-96.20350002 stress="0.012542095234148608 -0.007720870127179427 -0.0013775674300489705 -0.007720870127179427 -0.011493507114593394 -0.00903353594235645 -0.0013775674300489705 -0.00903353594235645 0.005188873574905182" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.86744000      -1.40602000       6.12039000      -1.07099210       2.30095560       2.10121284
Cr      10.73450000       2.01473000       1.15590000      -0.11607074      -0.98561654      -0.35501244
Cr      -0.42791000      -0.35541000       4.44239000       0.26722346      -0.46304289       2.27136007
Cr       5.34066000       0.53898000       2.70998000      -2.23843434       0.53116331       1.78924428
O        0.39537000      -0.05128000       6.45701000      -0.66438005      -1.28606855      -0.76971468
O        4.59800000       0.70773000       0.99462000      -0.80077191       0.01338260      -1.78811455
O        2.92691000       0.40939000       5.94082000       1.07609737      -1.44315611      -1.70497746
O        1.89361000       0.35833000       1.54161000       0.35921562      -0.59539547       0.42424486
O        5.78907000       0.77499000       4.78001000       1.15508970       0.09760265      -0.98621721
O       -1.05735000      -0.68058000       2.64137000       1.27759176       0.92965741      -1.03423611
O        0.68235000       1.36697000       4.24446000      -0.00370466       0.16107213      -0.17954343
O        3.44180000       1.85370000       3.04721000       0.84640380       1.05565713       0.46863005
Zn      -2.91764000      -0.05338000       6.33287000      -0.72243377      -0.17222625      -0.52562258
Zn       7.92024000       0.47508000       0.89086000       0.27011836       0.07351242       0.80195292
Zn       2.45034000       0.26667000       3.77709000       0.36504750      -0.21749742      -0.51320657
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.47455341 magmom=11.9997778 free_energy=-96.47455341 stress="0.033658186388385476 0.0063866170290830405 -0.0005161653523486491 0.0063866170290830405 -0.0008929236711029156 -0.016755272790459134 -0.0005161653523486491 -0.016755272790459134 0.0028368513502153836" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.81580000      -1.35629000       6.15634000      -1.29352455       0.03675795       0.31513181
Cr      10.64807000       1.88642000       1.14735000       1.18303799       0.36406680      -0.64856523
Cr      -0.40015000      -0.44166000       4.49018000       2.24440302      -0.25863632       0.66774044
Cr       5.37435000       0.53391000       2.75764000      -1.44957311       1.09379952      -1.46528438
O        0.34758000      -0.13852000       6.37185000       0.17559873      -0.32102711       0.04826094
O        4.63770000       0.52762000       0.84081000      -0.75180521       0.61460032       0.64842269
O        2.95697000       0.34562000       5.65498000       0.89810750      -0.22220024       1.35844617
O        1.86437000       0.25108000       1.59388000       0.03827278      -0.35544209      -0.04289895
O        5.89583000       0.63382000       4.63540000      -0.23927488       1.11872188       1.03708949
O       -0.88635000      -0.57560000       2.59389000      -0.54468840      -0.20979600      -0.77035808
O        0.82574000       1.52534000       4.17280000      -1.43347685      -0.93345437       0.95296413
O       -3.88365000      -0.80149000       3.02738000       0.85185917      -0.92272429       0.00093231
Zn      -2.91081000      -0.00804000       6.34556000      -0.72108064      -0.02440787      -1.07205829
Zn       7.83300000       0.49438000       0.92261000       0.53591524      -0.03953785       1.11519144
Zn       2.41462000       0.35119000       3.81999000       0.50622921       0.05927967      -2.14501449
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.00159205 magmom=11.9995501 free_energy=-96.00159205 stress="-0.010727750921379568 0.0012466293691158073 0.012914315320409899 0.0012466293691158073 -0.01847389137735694 -0.006373930200592277 0.012914315320409899 -0.006373930200592277 -0.002615338481164286" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.84552000      -1.29486000       6.21731000       0.46567228      -1.96279446      -1.10488109
Cr      10.62041000       1.77422000       1.10544000       1.99392137       0.19598557      -0.21483145
Cr      -0.28427000      -0.53798000       4.57924000      -1.50052908       1.90887016      -1.69320042
Cr       5.35233000       0.59472000       2.72770000       0.29267968       2.04849303      -1.13395042
O        0.37671000      -0.28105000       6.33843000      -0.19253682       0.79739133       1.46791803
O        4.48214000       0.45797000       0.78486000       0.23227361       1.09492567       1.49070833
O        3.10650000       0.18353000       5.62703000      -1.16230244       0.98609462       0.36888621
O        1.95697000       0.10264000       1.62058000      -1.39627521       0.36448671       0.50993426
O        6.04346000       0.69760000       4.60212000      -1.04269548      -0.17862849       0.93435286
O       -0.88468000      -0.48781000       2.45534000      -0.70274046      -0.75338796       0.85025606
O        0.75118000       1.49558000       4.30818000       1.91243644      -1.73175723      -0.54301031
O       -3.77624000      -0.71955000       2.96532000      -0.67630239      -2.68239129       0.60618823
Zn      -2.93642000       0.02819000       6.30834000       0.26016323      -0.03482386      -0.31797740
Zn       7.76843000       0.52034000       1.00487000       0.90920856       0.16166770      -0.21621486
Zn       2.40290000       0.43565000       3.75906000       0.60702672      -0.21413149      -1.00417803
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.30981744 magmom=11.9999331 free_energy=-96.30981748 stress="-0.023816969561661953 -0.0024490904679664643 0.022777008424812988 -0.0024490904679664643 -0.030331385259968962 -0.00615374750948307 0.022777008424812988 -0.00615374750948307 -0.008221412364276587" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.85460000      -1.34429000       6.23709000       0.92520031      -2.68654257       0.73245361
Cr      10.68901000       1.68004000       1.07417000      -1.15058770       1.25084953       2.36294236
Cr      -0.22609000      -0.54662000       4.59647000      -0.70684101       1.46646253      -0.32315237
Cr       5.32853000       0.74750000       2.63099000      -2.56424013      -1.28219970       1.65121231
O        0.41527000      -0.29754000       6.49172000      -0.76227103       0.53708975      -1.75580869
O        4.34573000       0.58580000       0.92734000       2.22647561      -0.93588512      -0.92550356
O        2.99592000       0.16980000       5.76732000      -0.18871177       1.34290197      -0.69842965
O        1.90388000       0.02067000       1.67968000      -0.54290953       0.16811984      -0.15933498
O        6.05227000       0.76663000       4.72922000      -0.42121575      -1.11807776      -0.35793505
O       -1.07077000      -0.51741000       2.48277000       1.70997909       0.70960651       0.24080723
O        0.85802000       1.18367000       4.42374000      -1.55601457       0.70098006      -0.71419220
O        3.59859000       1.85181000       2.94547000       1.10749221       1.17168820       0.27811488
Zn      -2.95091000       0.05862000       6.25055000       0.02601007       0.04201280       0.47187827
Zn       7.74712000       0.56077000       1.08461000       1.09471614      -0.10602376      -0.84374746
Zn       2.42685000       0.51104000       3.62706000       0.80291806      -1.26098229       0.04069528
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.73205627 magmom=12.0004323 free_energy=-95.7320563 stress="-0.044471114142473955 0.010986466548994347 0.025811839963905184 0.010986466548994347 -0.03342359784482508 -0.013194416006048365 0.025811839963905184 -0.013194416006048365 -0.011287519362858999" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.82527000      -1.50829000       6.27640000      -1.93118808       1.70746271      -1.05429831
Cr      10.71337000       1.64891000       1.14646000      -0.14440086       1.14558196      -0.97174349
Cr      -0.25702000      -0.48779000       4.59236000      -1.44906450      -1.51226099      -0.12788082
Cr       5.24024000       0.81972000       2.62043000       3.83569647      -2.87505622       1.92152493
O        0.37911000      -0.24296000       6.47133000      -0.32673938      -0.92845835       0.71263673
O        4.50686000       0.57379000       0.88669000      -0.59346331      -0.66862625       0.19135340
O        2.81207000       0.28858000       5.78717000       3.05348275      -1.94207041      -1.20922011
O        1.82693000       0.00732000       1.68164000       1.19040885      -0.01582427      -0.04054227
O        6.02836000       0.67471000       4.77501000      -0.53790559       0.50864842      -0.63498917
O       -1.04395000      -0.46032000       2.59209000       0.84925303       0.35755901      -0.40630447
O        0.77549000       1.05516000       4.42274000       0.60160345       2.43966915      -1.18352460
O        3.76233000       1.77066000       2.95950000      -2.68896981       3.03245310       0.65872421
Zn      -2.95846000       0.08396000       6.22183000      -0.60381329       0.01779540       0.94784088
Zn       7.77336000       0.60048000       1.11594000       0.12663969      -0.21216410      -0.83059229
Zn       2.47293000       0.52055000       3.51584000      -1.38153943      -1.05470917       2.02701538
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.68669536 magmom=11.9995728 free_energy=-96.68669546 stress="0.019330405429668344 -0.005635081758646519 0.007954519273684311 -0.005635081758646519 0.007243246948769857 -0.00976540331251849 0.007954519273684311 -0.00976540331251849 0.01076484813602393" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.86276000      -1.62051000       6.24221000       0.36565290       1.20063219      -2.00422675
Cr      10.72001000       1.69360000       1.18469000       1.85233913       0.77046244      -1.25046166
Cr      -0.37339000      -0.47639000       4.58180000       1.25640617       0.51673022      -0.09441292
Cr       5.32715000       0.75478000       2.72666000       0.56996827       0.90778396       0.20470492
O        0.33019000      -0.34967000       6.50806000       0.23092954      -0.42965731      -0.39140743
O        4.59659000       0.40794000       0.85400000      -0.44624163       0.90678892       1.07281072
O        2.99267000       0.13358000       5.63108000      -1.19265308      -0.18782493       0.00941570
O        1.98343000       0.01403000       1.63188000      -0.87457626       0.21315516       0.16273198
O        5.94891000       0.67811000       4.68650000      -0.85552254       1.00302518       0.22310848
O       -0.88174000      -0.35167000       2.64685000      -0.80119312      -0.86311352      -0.73360496
O        0.68922000       1.32638000       4.28647000       0.57753801      -0.98352757       0.44483926
O       -3.68400000      -0.72799000       3.03226000      -0.17563378      -2.31433885       0.16807439
Zn      -2.99610000       0.10592000       6.24390000      -0.38918071      -0.07887104       0.71657026
Zn       7.81636000       0.63697000       1.10137000       0.38309659      -0.19878163      -0.74612860
Zn       2.45983000       0.46595000       3.50223000      -0.50092949      -0.46246324       2.21798660
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.2268901 magmom=11.9979811 free_energy=-96.2268901 stress="0.014547681851930817 -0.011286626627325706 0.0034047014287827016 -0.011286626627325706 -0.005780153723236754 -0.007587471363756403 0.0034047014287827016 -0.007587471363756403 -0.00038273273498012585" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.88933000      -1.65553000       6.10995000       0.44533545       0.06462829       0.86379011
Cr      10.81436000       1.77514000       1.15745000       0.58217242      -0.74782336       0.37580400
Cr      -0.43401000      -0.44046000       4.56622000       1.52173230       1.39540749       0.56248795
Cr       5.44826000       0.70458000       2.82469000      -3.32400971       0.45396756      -2.45187137
O        0.37699000      -0.49958000       6.47883000      -0.21421353       0.88271999      -0.76233361
O        4.57047000       0.43225000       0.93820000       0.96259311       1.57513516      -0.99564519
O        2.95873000      -0.08271000       5.51902000      -0.34791644       1.24579523       1.02850451
O        2.03437000       0.07266000       1.57181000      -1.59255643       0.39808273       0.31876869
O        5.81931000       0.85929000       4.66048000       0.60524135      -0.74447890       1.71648618
O       -0.88512000      -0.40714000       2.61343000       0.29351662      -0.55728729      -0.17887861
O        0.67244000       1.43644000       4.26045000      -0.37004895      -1.72071661      -0.16510927
O       -3.82290000      -0.65759000       3.08359000       1.33431574      -1.93071653      -0.19297919
Zn      -3.05364000       0.11772000       6.30154000      -0.67730278      -0.10827408       0.01029683
Zn       7.87560000       0.66724000       1.05103000       0.82846703      -0.25327162      -0.24155313
Zn       2.41753000       0.39264000       3.59321000      -0.04732617       0.04683196       0.11223209
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.7194689 magmom=11.9959003 free_energy=-96.7194689 stress="0.0029235776188402613 -0.022278641441027324 -0.00016993548430637543 -0.022278641441027324 -0.02291482893544417 -0.00544863842517006 -0.00016993548430637543 -0.00544863842517006 0.022392483765045837" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40198000       1.24144000       6.03079000      -0.54659736       0.53258136       2.20621191
Cr      10.93908000       1.82806000       1.13913000      -1.73987144       0.01167646      -0.43975588
Cr      -0.41506000      -0.34793000       4.57893000      -0.94387035      -1.53650033      -0.13179803
Cr       5.40371000       0.67547000       2.79578000      -1.91263755       0.33732923       0.11590482
O        0.43676000      -0.44518000       6.35312000      -0.76662876       0.58301321       1.31842606
O        4.62978000       0.68549000       0.85650000       0.29497559      -1.15845633       0.15104019
O        2.81164000      -0.04383000       5.61542000       1.80828841       1.17356319      -0.69033709
O        1.89536000       0.20769000       1.55769000       1.69797634      -0.13471663       0.76785422
O        5.84748000       0.91765000       4.83377000       0.03286808      -1.27175995      -0.72084987
O       -0.94075000      -0.54859000       2.59770000       0.21176803       0.74226946       0.11926215
O        0.59298000       1.21907000       4.25241000       0.92591379       1.00399793      -0.83183691
O        3.59153000       1.94773000       3.04942000       0.58470802      -0.03759911      -0.07602136
Zn      -3.13717000       0.11714000       6.36077000      -0.25712541      -0.04018621      -0.40739074
Zn       7.96640000       0.69026000       0.98703000      -0.03134792       0.01457308       0.12400071
Zn       2.37694000       0.32239000       3.69077000       0.64158053      -0.21978533      -1.50471018
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.49662981 magmom=11.995809 free_energy=-96.49662981 stress="-0.03866796507058356 0.005483187119291162 -0.0007633889822891616 0.005483187119291162 -0.02691730575151331 -0.01997262709651942 -0.0007633889822891616 -0.01997262709651942 0.01792352100086268" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.92699000      -1.63081000       6.07315000       0.52666425       2.91609469       0.59048732
Cr      10.97265000       1.86365000       1.10910000      -1.12324406       0.09079964       0.34903705
Cr      -0.45367000      -0.35588000       4.58728000       0.23936932      -2.44456775      -0.95382781
Cr       5.27663000       0.66323000       2.75484000       2.85958382      -1.38353905       0.53684701
O        0.38562000      -0.27503000       6.42662000      -0.43313074      -1.01107104       0.11103447
O        4.67381000       0.71974000       0.79663000       0.02348630      -1.14410628      -0.25344710
O        2.90446000       0.17647000       5.63514000      -0.52037914      -0.90397997      -0.69301098
O        2.06565000       0.31952000       1.66976000      -0.11939664      -1.10237642      -0.28580719
O        5.93175000       0.74964000       4.85845000      -1.52606863       0.71001580      -0.26787513
O       -1.01800000      -0.56786000       2.65400000       0.59784553       0.48035786      -0.21594010
O        0.66131000       1.18109000       4.17258000       0.31690047       1.32665172       0.71099485
O        3.78782000       1.68080000       2.96179000      -2.51054635       2.73606369       0.96655786
Zn      -3.22331000       0.10865000       6.39811000       0.90896897       0.02881687      -0.26671725
Zn       8.05737000       0.71665000       0.93484000       0.29040378      -0.16929332       0.87744877
Zn       2.37144000       0.24823000       3.70730000       0.46954312      -0.12986643      -1.20578176
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.83157691 magmom=11.9992826 free_energy=-96.83157691 stress="-0.00037975135955747435 -0.010679788912071485 -0.011848548089861131 -0.010679788912071485 -0.02412942808433721 -0.018384238970665177 -0.011848548089861131 -0.018384238970665177 -0.01503237166697271" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.93515000      -1.43322000       6.14958000      -0.06605359      -0.03975878      -1.10404824
Cr      10.93219000       1.88186000       1.10221000       0.21384996      -1.23878658       0.83868669
Cr      -0.51314000      -0.51135000       4.55067000       1.72423349       0.46127031       0.72484884
Cr       5.28002000       0.61152000       2.74758000      -0.04530937       1.22211566       0.59796765
O        0.31261000      -0.22549000       6.50025000       0.06453559      -0.15663751      -1.40864931
O        4.66831000       0.53540000       0.76315000       0.62554252       1.31780794       0.95345268
O        2.87954000       0.25196000       5.55992000       0.01402183       0.00161485       1.09334250
O        2.26737000       0.23021000       1.70737000      -2.65398447      -0.53722376      -0.79675233
O        5.83498000       0.67100000       4.75946000      -0.54244271       0.40037844       0.22831058
O       -1.03203000      -0.51829000       2.70460000       0.90798266      -0.54469290      -1.24323339
O        0.77597000       1.41895000       4.25803000      -1.48088963      -0.80977837       0.02905436
O        3.68473000       1.88336000       2.98625000       0.20403579      -0.03484860       0.24046273
Zn      -3.26535000       0.09417000       6.42239000       0.38506223       0.08544190      -0.63954868
Zn       8.16190000       0.74302000       0.92208000       0.46920279      -0.28502391       0.80478707
Zn       2.39242000       0.16521000       3.65969000       0.18021292       0.15812132      -0.31868114
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.23965104 magmom=12.000117 free_energy=-96.23965104 stress="-0.024974442699095465 -0.005658488198057222 -0.006401915729414694 -0.005658488198057222 -0.025543840054016595 -0.011208460519810379 -0.006401915729414694 -0.011208460519810379 -0.005532161126888914" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.94222000      -1.24053000       6.17119000      -0.74700964      -2.85928415       0.24550007
Cr      10.89211000       1.83130000       1.12856000       0.72242278      -0.59566177      -0.56163820
Cr      -0.50492000      -0.64619000       4.53916000      -0.49178209       2.84736038       0.91402755
Cr       5.34093000       0.61684000       2.76973000       0.13008803       1.41888430      -0.81135967
O        0.30869000      -0.20008000       6.40640000      -0.49680771       0.50652683       1.13378610
O        4.67360000       0.54078000       0.87711000      -0.68233666       0.89212647      -0.32838432
O        2.77920000       0.33068000       5.66145000       1.34261737       1.24655183      -0.42524121
O        2.06411000       0.06324000       1.56903000      -0.09039725       0.54293478       0.62233885
O        5.70616000       0.69659000       4.66035000       0.72418997      -0.71582377       1.18417045
O       -0.95018000      -0.55128000       2.61678000       0.05111179      -0.09941369      -0.13020839
O        0.63458000       1.51260000       4.38320000       1.16437621      -1.44481262      -1.67945027
O       -3.74518000      -0.79723000       3.02882000      -0.16250357      -2.34425337      -0.00261370
Zn      -3.27420000       0.07909000       6.42871000       0.29747116       0.17053589      -0.38228585
Zn       8.27738000       0.76005000       0.93717000      -1.39598210       0.06998064      -0.44751092
Zn       2.42026000       0.08908000       3.60048000      -0.36545829       0.36434823       0.66886950
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.23821327 magmom=11.9971892 free_energy=-96.23821327 stress="-0.024060372464274074 0.03486077704848257 -0.009387741491627688 0.03486077704848257 0.007161158240014185 -0.01445054136942753 -0.009387741491627688 -0.01445054136942753 0.009831681485986642" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.98491000      -1.19147000       6.17933000       0.20739638      -1.21630226      -0.39689782
Cr      10.88060000       1.74624000       1.13047000      -1.70308855       1.68257571       0.72366802
Cr      -0.51733000      -0.62360000       4.58401000       1.25646675       2.18019670       0.01018402
Cr       5.41604000       0.68962000       2.75330000      -2.18074762      -1.27559906      -0.22547846
O        0.28672000      -0.10428000       6.48708000      -0.29441845      -0.01398564      -0.50932681
O        4.52224000       0.71255000       0.94634000       1.61992822      -1.67545863      -1.09412832
O        2.81915000       0.55577000       5.75479000       0.04903651      -1.19256354      -0.58511404
O        1.94408000      -0.04736000       1.56545000       1.25163749       0.22516730       0.55533380
O        5.79486000       0.63860000       4.70504000       0.04231837      -0.28319043       0.27472156
O       -0.93114000      -0.59923000       2.56692000       0.04050615       0.82059537       0.63683350
O        0.63069000       1.34377000       4.27509000       0.33962966      -0.11029131       0.32580356
O        3.48471000       1.92482000       3.02068000       1.35191520      -0.36951494       0.27399142
Zn      -3.26130000       0.06487000       6.41873000       0.28974100       0.11661231      -0.05477456
Zn       8.30295000       0.80208000       0.91626000      -1.85506713       0.57198771      -0.80346787
Zn       2.42867000       0.03477000       3.57185000      -0.41525396       0.53977070       0.86865202
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.55891263 magmom=11.9973327 free_energy=-95.55891263 stress="-0.03777190843652586 0.04410100090258414 0.0015307603407515656 0.04410100090258414 0.00598692375451744 -0.0239293211386748 0.0015307603407515656 -0.0239293211386748 0.0033469259758156125" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.02734000      -1.23057000       6.16120000       0.86781843      -0.43127336      -0.04624231
Cr      10.80354000       1.72116000       1.17005000       2.62918006      -0.63592492      -0.21725761
Cr      -0.46264000      -0.45288000       4.64592000       2.08552331      -1.61352631      -1.00976543
Cr       5.39872000       0.71560000       2.70554000      -0.94935330      -1.25741216       0.60245236
O        0.25290000      -0.00739000       6.52276000      -0.14671680      -1.04916546      -0.78485362
O        4.53229000       0.62174000       0.81217000       0.48409805      -0.51245354       0.66352025
O        2.84281000       0.59716000       5.75835000       0.19208970      -1.60460181      -0.40747876
O        2.09356000      -0.12237000       1.69391000      -2.63811214       1.55778168      -0.71217622
O       -1.90555000       0.60163000       4.80755000      -2.59652889       2.04377129       0.14200465
O       -0.99417000      -0.52769000       2.69872000       1.11642030      -0.09053295      -0.60394538
O        0.73928000       1.09668000       4.21236000      -0.25789976       1.62303510       0.58191477
O        3.68844000       1.55550000       3.01061000      -0.79540602       1.77067129       0.32324969
Zn      -3.22646000       0.04780000       6.39607000      -0.26208938       0.46104078      -0.85917966
Zn       8.21158000       0.90443000       0.83670000       0.05206857      -0.48943289       0.92416213
Zn       2.41398000      -0.00677000       3.59802000       0.21890786       0.22802325       1.40359515
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.69732656 magmom=11.999398 free_energy=-95.69732656 stress="-0.006242321108771481 -0.005175790123475506 -0.0157969536575577 -0.005175790123475506 -0.002229851468071054 -0.0019180453079296364 -0.0157969536575577 -0.0019180453079296364 -0.008227097605143136" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.01228000      -1.32301000       6.14355000       1.31367049      -1.42467370       0.98928227
Cr      10.80981000       1.69127000       1.21533000       0.74317831       0.00707123      -0.91753005
Cr      -0.34602000      -0.31313000       4.65561000      -3.29706498      -1.73163355      -1.49664046
Cr       5.36410000       0.67342000       2.67906000       1.57841940      -0.36854311       1.54950692
O        0.27612000      -0.11687000       6.43421000       0.38394756      -0.66760950       1.66123586
O        4.66674000       0.35728000       0.76612000      -0.84112379       1.08816413       1.57603194
O        2.82189000       0.30109000       5.68213000       0.27740167       0.00118303      -0.12567517
O        1.90730000       0.06005000       1.66889000       0.43329654      -0.57686623      -0.22189495
O        5.85896000       0.86327000       4.88662000       0.75499409      -0.36630652      -0.71127512
O       -0.96137000      -0.48118000       2.78549000       0.32753764      -0.70357108      -1.35291643
O        0.80860000       1.16169000       4.28424000      -0.34821685       2.22067675      -0.55332135
O        3.72810000       1.48313000       3.03705000      -1.97137645       2.08584069      -0.21845051
Zn      -3.19582000       0.04970000       6.32584000      -0.23561916       0.85043604      -1.09927980
Zn       8.10582000       1.00345000       0.78882000       0.30900451      -0.74621458       1.37073674
Zn       2.40765000      -0.04229000       3.70058000       0.57195102       0.33204640      -0.44980990
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.33990832 magmom=11.9998806 free_energy=-96.33990832 stress="0.0015683845072869012 -0.029518995007170187 -0.007133404963987851 -0.029518995007170187 -0.021484078548601425 0.00469366106231476 -0.007133404963987851 0.00469366106231476 -0.015822001532728894" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.93384000      -1.48633000       6.19081000       0.17058736      -1.66823759       0.96491599
Cr      10.85412000       1.65701000       1.20649000      -0.93995758      -0.13117736      -0.71190424
Cr      -0.40263000      -0.26896000       4.59837000       0.52568109       0.05904659      -0.04588434
Cr       5.41680000       0.62845000       2.73097000      -1.59123176       0.44714873       1.38395551
O        0.38947000      -0.33296000       6.51541000      -0.54083354       0.65142533      -0.32996198
O        4.61522000       0.33879000       0.96797000      -0.02184192       1.50825688      -0.82844666
O        2.83702000       0.06222000       5.64298000       0.79112289       1.81448700       0.75118712
O        1.81482000       0.15154000       1.58277000       0.47476664      -1.06483216       0.25924258
O        5.91664000       1.02019000       4.81010000      -0.70953979      -1.85126256      -0.42185971
O       -0.93568000      -0.55897000       2.67408000       0.10721464       0.30406607      -0.46414875
O        0.71165000       1.48089000       4.33046000      -1.43528806      -1.81488300       0.09105036
O        3.48437000       1.75471000       3.03347000       1.47817182       0.16252300       1.06158943
Zn      -3.17969000       0.08799000       6.21745000       0.21599441       0.71589933      -0.11765232
Zn       8.03507000       1.05800000       0.81001000       0.60553000      -0.35516815       0.65722430
Zn       2.43453000      -0.04785000       3.75842000       0.86962378       1.22270790      -2.24930729
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.4956276 magmom=12.000184 free_energy=-96.4956276 stress="-0.0332984365627313 0.013260833340203988 0.008282552795817204 0.013260833340203988 -0.014208088062496838 -0.004978668304382738 0.008282552795817204 -0.004978668304382738 0.00872368789966555" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.87536000      -1.65427000       6.26693000      -0.73952575       2.18624501      -0.17228205
Cr      10.84675000       1.63717000       1.17887000      -0.95070328       1.65413436       0.97341318
Cr      -0.44688000      -0.26572000       4.54988000       0.64414371      -1.56414924       0.30216046
Cr       5.39508000       0.62486000       2.81833000      -2.00786046       0.68697333      -0.96064276
O        0.43883000      -0.38343000       6.54209000      -0.88764308       0.05458585      -0.38111803
O        4.52531000       0.53147000       1.01341000       0.98089908      -1.03473626      -0.93055947
O        2.87483000       0.12555000       5.73228000      -0.41238688      -0.68584626      -0.78561922
O        1.87128000       0.06590000       1.56682000       0.17598863      -0.53387481       0.63129768
O        5.89769000       0.87583000       4.67376000      -1.12392255       0.16570415       0.92624626
O       -0.97609000      -0.56512000       2.56577000       0.50896739       0.40904163       0.35053634
O        0.48579000       1.43305000       4.39619000       2.47480856      -0.61893131      -0.57689055
O        3.53671000       1.95653000       3.11182000       0.69199067      -1.05758384       0.03266871
Zn      -3.15113000       0.14388000       6.14013000       0.79824929       0.39539317       0.74938685
Zn       8.01480000       1.07907000       0.85482000       0.29436317      -0.28028037       0.14293915
Zn       2.48189000      -0.00540000       3.71047000      -0.44736851       0.22332458      -0.30153655
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.91191102 magmom=12.0005071 free_energy=-96.91191102 stress="-0.0056700624026481865 0.0031832382109367005 0.013576763421462605 0.0031832382109367005 -0.0013282320016237753 -0.0028423366880276474 0.013576763421462605 -0.0028423366880276474 8.091336393066908e-05" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.88034000      -1.67655000       6.31334000      -0.84277496       1.89966396      -2.17261428
Cr      10.80095000       1.69472000       1.19726000       1.00292864      -0.15698636       0.07466325
Cr      -0.44116000      -0.35713000       4.52151000       0.66140984      -1.42754200       0.45950289
Cr       5.28260000       0.66779000       2.82601000       0.24059592       0.72599264      -1.50798964
O        0.36122000      -0.37331000       6.53044000      -0.66550968      -0.50135631      -0.00651557
O        4.54350000       0.53419000       0.90773000       0.01478480      -0.54517430       1.28164218
O        2.81422000       0.07840000       5.69484000       1.12191471      -0.48037321      -0.28842965
O        1.99254000      -0.07325000       1.67440000      -0.60567982       0.70852683       0.29681590
O        5.77057000       0.74703000       4.67168000       1.70355932       0.99203451       0.07261184
O       -1.00779000      -0.48263000       2.60203000       0.46134065      -0.19245767       0.06809139
O        0.65633000       1.23346000       4.38362000       0.20636680       0.46249980      -0.46347934
O        3.71356000       1.92258000       3.14748000      -1.32335651      -0.85711436      -0.50498353
Zn      -3.09412000       0.20841000       6.11873000      -1.12387183      -0.21299264       1.80426412
Zn       8.01528000       1.08321000       0.90226000      -0.25217994      -0.32797910       0.03656349
Zn       2.50323000       0.04734000       3.64688000      -0.59952795      -0.08674179       0.84985694
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.22578355 magmom=11.9996438 free_energy=-96.22578355 stress="-0.011353785034584373 -0.00414569391025282 -0.0010237159491074256 -0.00414569391025282 -0.020259933173779592 -0.005543428130642212 -0.0010237159491074256 -0.005543428130642212 -0.019481693974797015" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.95082000      -1.58115000       6.23436000      -0.08127165      -1.41018317      -0.72523821
Cr      10.79498000       1.75570000       1.22056000       0.08121460      -2.54344754      -0.80140755
Cr      -0.38476000      -0.55246000       4.51171000       1.66804661       1.90221310       0.51846842
Cr       5.19138000       0.74870000       2.74037000       3.62837806      -1.43200083       1.08059850
O        0.22125000      -0.41260000       6.53485000       0.97600062       0.08956141      -0.36432705
O        4.54248000       0.38776000       0.94274000       0.12092814       1.47823030      -0.90152570
O        2.88886000      -0.06156000       5.62516000       0.51292055       1.39094744       0.56231423
O        2.03491000      -0.08877000       1.81440000      -1.39154905       0.65121772      -1.70752421
O        5.95657000       0.77661000       4.66720000      -1.39157968      -1.48843704       0.59536239
O       -1.01553000      -0.42696000       2.69991000      -0.09840334      -0.76423327      -1.81588068
O        0.88980000       1.04331000       4.32399000      -2.03821760       0.97102717       0.22869111
O        3.67668000       1.76084000       3.04840000      -1.31695085       1.77542889       0.61222515
Zn      -3.07481000       0.27547000       6.19138000      -0.44433151       0.07309070       0.53174693
Zn       8.00872000       1.07044000       0.96403000      -0.10827744      -0.30020788       0.21474483
Zn       2.49312000       0.10841000       3.62176000      -0.11690748      -0.39320700       1.97175186
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.51281592 magmom=12.0003988 free_energy=-96.51281598 stress="-0.004760001975432646 -0.012865405718944817 -0.009612457228535787 -0.012865405718944817 -0.010925529035156922 -0.003370094944528603 -0.009612457228535787 -0.003370094944528603 -0.0010638066227361092" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.02714000      -1.52987000       6.07859000       2.94436426      -1.68088233       3.12893522
Cr      10.79261000       1.68997000       1.18273000      -0.78782936      -0.04350412      -1.28287516
Cr      -0.25100000      -0.68316000       4.51632000      -2.52636365       1.16728248      -0.41866194
Cr       5.29226000       0.77071000       2.69023000      -0.81335646      -2.20949729       1.15036895
O        0.30945000      -0.44015000       6.46160000      -0.25716705       0.69141934      -0.53322604
O        4.49054000       0.46798000       0.88542000       0.07053602       0.45513669      -0.33282237
O        2.98571000      -0.00486000       5.67738000      -1.57708761       0.71469612      -0.58663934
O        1.85933000       0.02693000       1.64704000       0.35970867      -0.30107972       0.33952847
O       -1.80402000       0.58735000       4.70492000      -1.05360633      -0.03165314      -0.04518547
O       -1.05365000      -0.54637000       2.55455000       1.19463536       0.70071597      -0.22323531
O        0.73319000       1.01868000       4.31688000       0.24639973       0.59365478      -1.61564351
O        3.46796000       1.85793000       2.99886000       1.42000907       0.20417452       0.84434074
Zn      -3.08251000       0.35455000       6.33099000       0.23173643      -0.03040242       0.05391316
Zn       7.99717000       1.03818000       1.04710000      -0.04218418      -0.17472096      -0.36400446
Zn       2.47322000       0.16224000       3.68955000       0.59020511      -0.05533992      -0.11479295
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.17272093 magmom=12.0002211 free_energy=-96.17272405 stress="-0.023770668330551137 0.019295049271511627 0.005877723634050922 0.019295049271511627 -0.004626911230484983 -0.003276055381072254 0.005877723634050922 -0.003276055381072254 0.03537604852310176" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.95266000      -1.56565000       6.07092000       0.67619672       0.44851136       0.87283433
Cr      10.74887000       1.61946000       1.08251000      -0.42930315       2.64278753       0.03467388
Cr      -0.27681000      -0.70775000       4.49949000      -2.60203286       0.97251259      -0.46237952
Cr       5.38652000       0.67368000       2.70012000      -1.98593414      -1.45102871       0.15460497
O        0.41220000      -0.36108000       6.30523000      -1.39146158      -0.32157763       0.89539765
O        4.43275000       0.62307000       0.78043000       1.18968098      -1.61754847       0.60095212
O        2.81097000       0.16811000       5.67800000       1.28474212      -0.43374148       0.05007556
O        1.79110000       0.08152000       1.49579000       1.16766459      -1.03446236       0.91000815
O       -1.88643000       0.38787000       4.73032000      -0.22066557       1.62874455      -0.60449685
O       -0.96977000      -0.60551000       2.38732000       0.53547899       0.36714070       0.79142671
O        0.62607000       1.07500000       4.14309000       1.83983916      -0.50401186      -0.14985896
O        3.49203000       1.99369000       3.01945000       0.48656234      -0.76839197      -0.63554827
Zn      -3.08615000       0.42660000       6.46434000      -0.41444588      -0.35045894      -0.91856477
Zn       7.97861000       1.00294000       1.11092000      -0.74950534       0.27263836      -0.28863325
Zn       2.48495000       0.20996000       3.75668000       0.61318362       0.14888629      -1.25049175
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.64557504 magmom=11.9998873 free_energy=-96.64557504 stress="0.017918334481541325 0.006579848209703698 0.005768562966163587 0.006579848209703698 0.00882454342826471 -0.00024164972511375195 0.005768562966163587 -0.00024164972511375195 0.0311121579998529" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.85605000      -1.56832000       6.13836000      -1.92676942       0.78564902      -0.96640933
Cr      10.70985000       1.68129000       0.99710000       1.29737964       0.26602103       0.55158775
Cr      -0.44673000      -0.66404000       4.46310000       2.58601678       0.82722780      -0.46342790
Cr       5.37713000       0.50522000       2.70658000      -1.09194328       1.28455463      -1.40917760
O        0.30939000      -0.33322000       6.29040000       0.27683072      -0.48519584       0.31572915
O        4.48388000       0.49788000       0.77571000       0.28296119      -0.12669026       0.33423086
O        2.86697000       0.19160000       5.70853000       1.60843939      -0.84574293       0.09746973
O        1.97716000      -0.01635000       1.52034000      -0.86556305       0.16419665       0.35136497
O       -1.96193000       0.53305000       4.62839000      -0.52845643       0.42508700       0.40499916
O       -0.86983000      -0.60585000       2.42820000      -0.47400544      -0.72390063       0.54504035
O        0.77823000       1.06045000       4.01626000      -1.23311110       0.67924791       1.42393322
O        3.60335000       1.95978000       2.90381000      -0.27646719      -1.51569819       0.56336539
Zn      -3.10586000       0.47064000       6.53349000      -0.34521346      -0.33927585      -1.03800517
Zn       7.93222000       0.98522000       1.15428000       0.27139152       0.15021227       0.55039379
Zn       2.53080000       0.25424000       3.74784000       0.41851014      -0.54569261      -1.26109436
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.37356043 magmom=11.9999406 free_energy=-96.37356043 stress="0.02204691225138616 -0.020260020430077172 0.002405168032021255 -0.020260020430077172 -0.001553771623978 0.003647083133120701 0.002405168032021255 0.003647083133120701 -0.002813297455151581" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.86702000      -1.52764000       6.15457000      -0.28209086      -1.18678957      -1.61199641
Cr      10.73965000       1.74920000       0.95767000       0.69725422      -2.83078738       1.39129864
Cr      -0.48517000      -0.56272000       4.42055000       2.04813537       1.13977911       1.48502813
Cr       5.31182000       0.40236000       2.64367000      -0.28124143       1.53485860       0.16257818
O        0.29255000      -0.39391000       6.34370000       0.62913010       0.31652966      -0.52735380
O        4.56801000       0.33685000       0.77771000       0.51742827       1.34837342      -0.19939975
O        3.10396000       0.03608000       5.76124000      -2.33041225       0.46037478      -1.20437884
O        2.06832000      -0.06232000       1.60625000      -1.56349650       0.79340406       0.40889012
O        5.80646000       0.74719000       4.55610000      -0.13565627      -1.58707741       0.95034884
O        6.38213000       2.19240000       2.57846000      -0.03884993      -0.13939160      -1.81032553
O        0.72572000       1.16775000       4.19634000       0.19081450       0.22085056       0.26943667
O        3.68846000       1.68293000       2.83717000       0.00705820       0.17870226       0.46893152
Zn      -3.13100000       0.49655000       6.54943000       0.90042844       0.09636022      -0.35287157
Zn       7.89533000       0.97901000       1.21772000       0.45437869       0.25344134       0.25766600
Zn       2.58961000       0.27037000       3.67649000      -0.81288055      -0.59862806       0.31214781
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.05019657 magmom=11.999915 free_energy=-96.05019657 stress="-0.0005984955388508937 -0.013474403139911304 -0.0007805903068136944 -0.013474403139911304 -0.01187970612784016 0.0034567906047927276 -0.0007805903068136944 0.0034567906047927276 -0.016687090838118916" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.89666000      -1.55755000       6.08267000       0.83619274      -1.52539670       1.30414749
Cr      10.81440000       1.67189000       1.00023000      -0.05766640      -0.96955195       0.42803280
Cr      -0.41991000      -0.40802000       4.45095000      -0.87368175      -1.31001249       0.83922809
Cr       5.25211000       0.38532000       2.58561000       2.38718961      -0.23998391       1.51579109
O        0.42394000      -0.38344000       6.36657000      -1.47999512       0.46394035       0.26853089
O        4.65214000       0.36559000       0.73197000      -0.90639974       0.11138785       0.32511472
O        2.90885000      -0.02078000       5.60892000       1.07454317       2.06816740      -0.61738918
O        1.95104000       0.00444000       1.71527000       0.27540319      -0.42679552      -0.41431308
O        5.78825000       0.70782000       4.63446000       0.58392505      -0.03025594       0.11051048
O        6.30035000       2.06244000       2.50250000       1.14083129       0.91865197      -0.22403263
O        0.64371000       1.31887000       4.41791000      -0.28211253      -0.73877407      -3.75410048
O        3.77802000       1.50530000       2.81456000      -1.33538741       2.46322859       0.41910632
Zn      -3.12212000       0.52419000       6.53509000      -0.19501177      -0.22395236      -1.02407813
Zn       7.87756000       0.98705000       1.29480000       0.03432503       0.24183904      -0.38297618
Zn       2.60455000       0.24638000       3.62601000      -1.20215536      -0.80249228       1.20642779
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.79841272 magmom=12.0001853 free_energy=-95.79842604 stress="-0.03242484702720236 0.0021795670618738315 0.005707262402464835 0.0021795670618738315 -0.018419710665397323 -0.0021228850713735244 0.005707262402464835 -0.0021228850713735244 0.0033968094961231883" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39820000       1.26564000       6.02606000      -1.12322263       3.23798520       0.18584429
Cr       3.03037000       1.50463000       1.08055000      -1.89972301       1.76055314      -0.66120424
Cr      -0.39118000      -0.31424000       4.54612000       0.04623586      -3.28651264      -0.67179898
Cr       5.32278000       0.39642000       2.61048000       1.11871157       1.93141595       0.82992291
O        0.38050000      -0.29323000       6.42894000      -0.66035992      -1.11168171      -0.83841048
O        4.53869000       0.41496000       0.73777000       0.95660505      -1.00692164       0.24221857
O        2.76511000       0.21231000       5.39270000       2.24979526      -1.50330048       2.04263001
O        1.89157000       0.00917000       1.74894000       0.74495539      -0.47323207      -0.34405451
O        5.91800000       0.63410000       4.74668000      -1.71978190       1.56347408      -0.53043965
O        6.36980000       2.09124000       2.36998000      -0.08460917       0.82895041       0.88407247
O        0.53685000       1.33753000       4.13358000       1.16390256      -0.22203591       0.52103324
O        3.73099000       1.75621000       2.84900000      -0.32875142      -1.43519490       1.21591859
Zn      -3.11195000       0.55077000       6.46386000      -0.05681616      -0.05915385      -0.28925333
Zn       7.86335000       1.01145000       1.36420000       0.29143813       0.11689318      -0.80608735
Zn       2.55014000       0.16985000       3.60762000      -0.69837962      -0.34123876      -1.78039154
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.9555095 magmom=12.0821534 free_energy=-95.95947339 stress="-5.8683580061886775e-05 0.00232981305028415 -0.0018398110493761614 0.00232981305028415 0.00793790023827066 0.008910014523162865 -0.0018398110493761614 0.008910014523162865 0.03944050194568911" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.94516000      -1.59383000       5.99347000       0.82062794       1.10788361       0.92287495
Cr       3.01832000       1.42056000       1.13551000      -0.46826914       2.78587124      -0.40325452
Cr      -0.39259000      -0.39100000       4.60934000      -0.96556847      -1.19146682      -2.93723058
Cr       5.46671000       0.50843000       2.69750000      -2.87347814       0.93791919       0.32407283
O        0.26194000      -0.34472000       6.35399000       1.31119313      -0.24132252       0.78732938
O        4.50512000       0.27951000       0.77093000       1.03538934       0.06737751      -0.24658653
O        2.93668000       0.25734000       5.54277000      -1.28110345      -1.13465036      -0.15567646
O        1.97583000      -0.07866000       1.66836000      -0.43990877      -1.16202504      -0.54028988
O        5.90253000       0.79347000       4.73739000       0.23807008      -0.08291971      -0.47611630
O       -0.88178000      -0.62624000       2.42123000       0.24389796      -0.41485652       0.71934144
O        0.57457000       1.25486000       3.91589000       0.63416374       0.16548551       1.97151130
O        3.64918000       1.86859000       3.02533000       0.90148206      -1.02825114      -0.66321555
Zn      -3.10956000       0.57715000       6.36531000      -0.28227064      -0.02483634       0.62082678
Zn       7.86322000       1.04613000       1.39623000       0.61209182       0.18099029      -1.17076305
Zn       2.45642000       0.06616000       3.52998000       0.51368254       0.03480111       1.24717618
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.98569361 magmom=12.0008823 free_energy=-95.98636494 stress="-0.011638924066117544 -0.004457129143748395 0.0023948346768935705 -0.004457129143748395 -0.017148428858162503 0.005635811066504861 0.0023948346768935705 0.005635811066504861 0.02486811583863052" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.94465000      -1.48477000       6.03263000       1.21596288      -2.92680604       1.37292933
Cr       2.98955000       1.48305000       1.15895000       1.88027461      -0.33508034      -1.62397052
Cr      -0.42416000      -0.52048000       4.53846000       2.30856164       2.82982134       0.09480063
Cr       5.45985000       0.66755000       2.78578000      -3.46735072      -0.70325537      -1.77118926
O        0.36900000      -0.42431000       6.31526000      -0.98316418       0.71603915       0.80408965
O        4.59564000       0.18343000       0.77170000      -0.14450710       1.51529138       0.70492142
O        2.88547000       0.08475000       5.70814000       0.30659978       1.27990848      -1.28044243
O        2.02680000      -0.31139000       1.48519000      -0.69429840       0.83170669       1.18275746
O        5.90762000       0.87777000       4.63922000      -0.94288212      -2.82790122       1.26792356
O       -0.86597000      -0.49973000       2.62535000       0.42784727      -0.50359731      -0.91347709
O        0.71471000       1.19449000       4.09145000      -0.07988807       0.25999672       0.29756085
O        3.72849000       1.78124000       3.04484000       0.02932601      -0.22080559      -0.38310891
Zn       4.73699000       0.60179000       6.29886000      -0.58219006      -0.06771320       1.00528115
Zn       7.88945000       1.08697000       1.36741000       0.01517171       0.00008200      -1.59985235
Zn       2.38927000      -0.03256000       3.50161000       0.71053676       0.15231331       0.84177652
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.58934178 magmom=11.9991552 free_energy=-96.58997006 stress="-0.022380539669899547 0.035493770138528793 0.004238824198176691 0.035493770138528793 0.005437090185257058 -0.004733043031306727 0.004238824198176691 -0.004733043031306727 -0.0003072633526222529" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.88292000      -1.53382000       6.15710000       0.18900177      -1.06484332       0.22907369
Cr       3.06524000       1.54343000       1.09488000      -0.68002757      -0.20615382      -0.51149045
Cr      -0.36863000      -0.52432000       4.49107000       0.66145610      -0.20247122       1.97555863
Cr       5.29711000       0.75418000       2.77669000       2.23009126      -2.98375076      -0.56845689
O        0.38650000      -0.39389000       6.41006000      -0.44269352       0.15719462       0.18618267
O        4.59744000       0.35982000       0.85826000       0.55557595       0.10004132       0.16128071
O        2.82556000       0.11453000       5.63911000       1.28585783       0.40030161      -0.55753876
O        1.99410000      -0.37476000       1.51225000       0.39945892       1.36953051       1.15317152
O        5.88543000       0.59401000       4.69343000       0.35387079       1.23131412      -0.21923925
O       -0.83742000      -0.50244000       2.64713000      -0.57122367      -0.24293946      -1.24959755
O        0.80659000       1.18471000       4.32596000      -1.04056621      -0.11717016      -1.48846529
O        3.76259000       1.69151000       2.95120000      -2.43225851       1.71392387       0.77399743
Zn       4.70005000       0.62144000       6.29128000      -0.46469580      -0.12277519       0.94312919
Zn       7.90853000       1.11876000       1.26702000      -0.51537349      -0.30328470      -1.37104032
Zn       2.36868000      -0.10679000       3.51930000       0.47152616       0.27108258       0.54343464
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.54907277 magmom=11.9982522 free_energy=-96.54907281 stress="0.006409948532935177 0.02339475561769476 -0.005106899435291024 0.02339475561769476 0.021784335382807257 -0.0018571310874042684 -0.005106899435291024 -0.0018571310874042684 -0.010205599886881087" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.81317000      -1.64606000       6.25851000       0.04220578       1.66316682      -2.66256542
Cr      10.95453000       1.59580000       1.03736000      -2.77597081       0.71120405       3.28885627
Cr      -0.30093000      -0.52535000       4.54088000      -1.33913186      -1.05146017      -0.27720077
Cr       5.23603000       0.68847000       2.74400000       1.23569675      -0.94399799       1.56829199
O        0.37146000      -0.33760000       6.49070000       0.47482272      -0.55300196      -1.31503049
O        4.64101000       0.51416000       0.90993000       0.49815342      -1.10857913      -1.08781816
O        2.92775000       0.21739000       5.51452000      -0.42968331      -1.18908993       0.64470262
O        2.01817000      -0.18405000       1.68858000      -0.14882085       0.40569006      -1.59817539
O       -1.89921000       0.54185000       4.70839000      -0.58728284       1.55487626      -0.12856230
O       -0.92246000      -0.57723000       2.50620000      -0.16103178       0.00455405       0.66659052
O        0.71053000       1.15966000       4.36967000       0.54371711       0.22954664      -0.24521596
O        3.54725000       1.83042000       2.94017000       1.57112049      -0.18572740       0.35339460
Zn       4.65117000       0.63627000       6.32748000       0.58502205      -0.04986225       0.12062134
Zn       7.90401000       1.13324000       1.11745000       0.01971535       0.15778016      -0.28878013
Zn       2.37857000      -0.15558000       3.56195000       0.47146777       0.35490080       0.96089129
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.81216918 magmom=12.0013428 free_energy=-96.81216918 stress="-0.0006923349246265571 -0.02834733800904056 0.0026537897163154012 -0.02834733800904056 -0.03413672044015386 0.007516134596937942 0.0026537897163154012 0.007516134596937942 0.009804749605044294" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.74764000      -1.66413000       6.19281000      -1.57537691       1.39221223      -0.68852176
Cr      10.83669000       1.68774000       1.14249000       1.48073627       0.84377943      -1.37606767
Cr      -0.32570000      -0.56935000       4.57658000      -0.47237395       1.52074845      -0.65883870
Cr       5.27825000       0.56456000       2.78330000       0.55779416       1.08287700      -0.46913297
O        0.50099000      -0.37482000       6.40768000      -0.64848316      -0.64163999       0.83185519
O        4.67465000       0.46076000       0.81226000      -0.74370934       0.06750117       1.25083852
O        2.92563000       0.08898000       5.55459000       1.16703557      -0.43194755       0.23026392
O        2.03822000       0.08588000       1.59954000      -1.12694684      -1.25316973       0.54612626
O        5.97686000       0.77310000       4.68056000      -1.35278048      -1.75706923       1.05850115
O       -1.06399000      -0.67113000       2.52966000       1.49283442       0.53685420       0.30128200
O        0.67608000       1.15700000       4.36128000       1.21229388       0.06841177      -1.11766916
O        3.62005000       1.92803000       2.97030000      -0.42680757      -1.63581630       0.75743837
Zn       4.62970000       0.65016000       6.36637000       0.39538451      -0.28055685      -1.06128365
Zn       7.89863000       1.15253000       0.95706000      -0.01885013       0.24880295       0.85741287
Zn       2.41007000      -0.18328000       3.64439000       0.05924958       0.23901244      -0.46220438
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.40525605 magmom=12.000127 free_energy=-96.40525605 stress="0.0072932844221415315 -0.0389991856258648 0.0007098243197632859 -0.0389991856258648 -0.02811360592536241 0.009802825254158147 0.0007098243197632859 0.009802825254158147 0.01744296435685451" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.76828000      -1.62797000       6.08756000      -1.02415851      -2.10798166       2.09637512
Cr      10.77248000       1.81953000       1.20473000       0.83145591      -1.97855006      -1.22965325
Cr      -0.39476000      -0.55098000       4.58070000       0.63399068       0.49995267       0.03293357
Cr       5.36831000       0.48864000       2.80607000      -1.68817034       0.95776918      -0.30939497
O        0.55061000      -0.48353000       6.41516000      -1.38017568       0.94261354      -0.33235427
O        4.54209000       0.40464000       0.87462000       1.00853017       1.45508027       0.27976677
O        3.02941000      -0.07753000       5.67275000      -0.10304583       1.74057101      -0.77283167
O        1.91269000       0.15524000       1.54563000      -0.41984772      -0.97017686       0.68604658
O        5.82958000       0.75805000       4.79087000       1.10037834      -0.88463982      -0.16398431
O       -0.99706000      -0.69033000       2.67325000       1.13971459      -0.16231051      -0.32014929
O        0.81201000       1.15683000       4.20876000      -0.96243382      -0.56151098       0.32958279
O        3.69897000       1.75209000       3.06862000      -0.80639761      -0.00686723      -0.04022598
Zn       4.63334000       0.65297000       6.35980000       0.28708062      -0.21859400      -0.71630824
Zn       7.89754000       1.18730000       0.82934000       0.73754200       0.39805953       1.66356557
Zn       2.45100000      -0.19308000       3.70983000       0.64553718       0.89658492      -1.20336843
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.04630758 magmom=11.9991053 free_energy=-96.04630758 stress="0.020716653481952993 0.0006908683322612119 -0.0044824452602572895 0.0006908683322612119 0.012730463548903635 -0.00040636314470430206 -0.0044824452602572895 -0.00040636314470430206 -0.0043065435361020095" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43177000       1.23258000       6.09045000       0.08720154       0.48843391       0.77832960
Cr      10.76543000       1.85791000       1.18691000      -0.25014646      -2.39266181       0.10749044
Cr      -0.43822000      -0.49771000       4.59034000       2.72558412      -2.16534428       0.47344388
Cr       5.40470000       0.47261000       2.80890000      -0.60309613       0.25836387       0.67010434
O        0.38583000      -0.41599000       6.39911000       0.20017553       0.10487437       1.00480543
O        4.50460000       0.56691000       1.02045000       0.39744010      -0.31622348      -1.44887115
O        2.98345000      -0.00762000       5.68630000      -1.13378913       0.13555922      -0.09524918
O        1.76603000      -0.01121000       1.61979000       1.11470829       0.13362148      -0.44465074
O       -1.93815000       0.53334000       4.81823000      -1.14777726       1.77495070      -0.47346925
O       -0.81810000      -0.73401000       2.78315000      -1.80186524      -0.35336298      -2.15561937
O        0.79362000       1.04895000       4.16921000      -0.22664416       0.57488904       1.31706028
O        3.62258000       1.54034000       3.12153000       0.23684343       1.38438713      -0.37755162
Zn       4.65897000       0.64893000       6.31687000      -0.13904116      -0.08769247      -0.40020773
Zn       7.93929000       1.25042000       0.77801000       0.86723515       0.27042358       1.76423649
Zn       2.52751000      -0.15856000       3.71596000      -0.32682861       0.18978172      -0.71985143
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.97596976 magmom=12.0000904 free_energy=-95.97596976 stress="-0.025570342225780158 -0.0004966447142404838 0.0003032516538391371 -0.0004966447142404838 -0.03066784808373107 0.007943975779427377 0.0003032516538391371 0.007943975779427377 -0.020670689417165163" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.29302000       1.19910000       6.17048000      -0.08424576       3.59413267       2.36781432
Cr      10.76298000       1.74243000       1.16546000       1.27755355      -0.78971322       0.67025697
Cr      -0.34924000      -0.57144000       4.61116000      -0.67768952      -1.77569426      -0.88788399
Cr       5.40330000       0.48192000       2.82683000      -1.73043038      -1.03602641      -1.10510720
O        0.19491000      -0.28594000       6.54146000      -0.39498181      -1.69827711      -0.14908636
O        4.51848000       0.66590000       0.95371000      -0.07244174      -2.11542402      -0.64036644
O        2.64958000       0.09105000       5.67640000       3.12742326      -1.36022533      -0.38982954
O        1.84303000      -0.21942000       1.63959000       0.31477395       1.55378930       0.63584872
O       -1.90641000       0.59240000       4.68376000      -0.78991558       0.14063287       1.07385013
O        6.32184000       2.06864000       2.62604000       1.09166278       1.62660139       0.07139778
O        0.66231000       1.00731000       4.43190000       0.01240836       1.66222553      -2.16778018
O        3.56923000       1.57873000       3.07298000       0.36095166       1.00866699       0.20576741
Zn       4.68252000       0.64311000       6.24180000      -0.93024859      -0.10834264      -0.14000053
Zn       8.04920000       1.34678000       0.81603000      -0.73780270      -0.59633896       0.17261481
Zn       2.61932000      -0.09508000       3.67366000      -0.76701747      -0.10600679       0.28250408
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.95837061 magmom=11.9983313 free_energy=-95.95837061 stress="-0.03621805872502718 0.010315642093034342 -0.006407562004539769 0.010315642093034342 -0.025804337644969835 0.007805182211281959 -0.006407562004539769 0.007805182211281959 -0.02904551028635257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.11824000      -1.60437000       6.31574000       0.97183967      -0.41639752      -3.16027555
Cr      10.82572000       1.58807000       1.18640000      -0.10889485      -0.26130478       0.87483286
Cr      -0.28936000      -0.71266000       4.57934000      -3.89569777       3.60590689      -0.76000352
Cr       5.34225000       0.46894000       2.78860000      -0.16486116       0.88279297      -0.79962593
O        0.04527000      -0.38616000       6.62687000       0.85659315      -0.32259408      -1.47163247
O        4.47748000       0.37846000       0.82597000       0.78830115      -0.01348215       2.52540247
O        2.68927000       0.04571000       5.68022000       0.37919618       0.54579489       0.20827507
O        2.01640000      -0.16581000       1.73939000      -0.44584277       0.53763602       0.14039283
O        5.81220000       0.72609000       4.66831000       0.46324436      -1.42636026      -0.07028911
O        6.23218000       2.16275000       2.50889000       1.46304685       0.03042251       0.69302763
O        0.57046000       1.14399000       4.44783000       2.47553192      -1.83632558      -0.94799227
O        3.61394000       1.77614000       3.03087000       0.58240932      -1.18310379       0.50872692
Zn       4.65851000       0.63440000       6.17237000      -1.03969950      -0.08709489       1.15983180
Zn       8.12715000       1.41075000       0.86282000      -1.10220818      -0.24078923      -0.40986435
Zn       2.66775000      -0.03749000       3.64369000      -1.22295837       0.18489901       1.50919361
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.6110195 magmom=11.9987021 free_energy=-96.6110195 stress="-0.011033339864348618 -0.009257408944460864 -0.006506853847857622 -0.009257408944460864 -0.013804119678738482 0.01672246956557263 -0.006506853847857622 0.01672246956557263 0.00016524860403205804" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.12444000      -1.54170000       6.28694000       1.82431845      -2.24416433      -1.95234473
Cr       3.00794000       1.46850000       1.24563000      -0.56983238       1.07134102      -0.40822284
Cr      -0.40433000      -0.67212000       4.50192000       0.34247365       1.17150606      -0.40531184
Cr       5.31867000       0.49799000       2.72194000       1.65874547       0.63148907       0.77389527
O        0.13465000      -0.50334000       6.48219000       0.26856943       0.81230119       0.96118164
O        4.51309000       0.18409000       0.97762000       0.39055656       1.69385880      -1.75693709
O        2.76602000       0.06787000       5.74094000      -0.23297532       0.39600843      -0.03668141
O        2.06867000      -0.05824000       1.81661000      -1.00190000      -1.92249641      -0.43004417
O        5.83293000       0.61174000       4.63247000       0.23315784      -0.42291909       0.43404510
O       -0.95992000      -0.65898000       2.58542000       0.15525180      -0.74656633      -0.38775926
O        0.70962000       1.06960000       4.33509000      -0.50284489       0.45843414       0.27987644
O        3.73579000       1.73569000       3.05950000      -0.66917604      -0.70662547       0.51111119
Zn       4.59489000       0.62753000       6.17465000       0.04722111       0.02758588       0.90767649
Zn       8.13517000       1.43868000       0.87790000      -0.84895997       0.00880964      -0.07643218
Zn       2.64773000       0.00937000       3.69187000      -1.09460572      -0.22856260       1.58594738
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.69461678 magmom=12.0004891 free_energy=-96.69461678 stress="-0.035276418883068504 0.02673700220928851 -0.01485647937373772 0.02673700220928851 -0.008295586140411619 -0.0017911799065992214 -0.01485647937373772 -0.0017911799065992214 0.000987718138846531" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.02687000      -1.61001000       6.13300000      -0.08500990      -0.64871367       1.85098555
Cr       3.01158000       1.41920000       1.27662000      -0.03203206       1.21059636      -1.25878109
Cr      -0.48695000      -0.56915000       4.42215000       3.65211627      -1.67893829       2.34868735
Cr       5.40393000       0.55263000       2.69482000      -0.50404844      -1.49760201       0.18477848
O        0.33393000      -0.46668000       6.48263000      -1.22335350       0.39413678       0.20422278
O        4.56616000       0.30475000       0.90152000       0.00021110      -0.40464991       0.01666765
O        2.76044000       0.12815000       5.79677000       0.88930257      -0.66142509      -0.86399587
O        1.99436000      -0.24886000       1.78206000       0.95236095       0.21756872       0.29578865
O       -1.95376000       0.49336000       4.63566000      -1.83911016       2.07091765       0.50401906
O        6.40567000       2.19319000       2.60646000      -0.20051192       0.23291902      -1.79804575
O        0.72862000       1.06250000       4.30347000      -0.63464472       0.54485855      -0.91194556
O        3.75558000       1.57144000       3.12712000      -0.47477315       0.68775246      -0.24188792
Zn       4.53762000       0.62614000       6.22971000       0.91907084       0.25480424       0.67385465
Zn       8.10209000       1.45688000       0.88332000      -0.85033855      -0.36462488      -0.46493209
Zn       2.56979000       0.04015000       3.81272000      -0.56923936      -0.35759994      -0.53941589
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.42835217 magmom=12.0000019 free_energy=-96.42835217 stress="-0.023640958823308276 0.01401250561800733 -0.01750673598394827 0.01401250561800733 -0.011363837521801394 0.007182350884794537 -0.01750673598394827 0.007182350884794537 0.029099127296415485" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36737000       1.19217000       6.07364000      -1.19361047       1.91001522       2.76126098
Cr       3.02188000       1.44456000       1.23070000       0.77742520       0.06968125      -0.34868311
Cr      -0.40895000      -0.53343000       4.45324000      -0.84819273      -0.39712672       0.78562404
Cr       5.47284000       0.53169000       2.67714000      -2.79859965      -1.25338686       0.04686194
O        0.38362000      -0.36810000       6.50764000      -0.91622713      -1.47711322      -1.37163056
O        4.58280000       0.38214000       0.81140000       0.73592569      -1.19764504       0.44379383
O        2.85508000       0.03140000       5.72337000       0.27370033      -0.63209700       0.18116486
O        2.10654000      -0.41021000       1.78454000      -0.73321955       1.40934829       0.22446911
O        5.81972000       0.70063000       4.68865000       1.00298544      -0.26977587      -0.39091680
O        6.39572000       2.15642000       2.41992000       0.83252009       0.83337602       0.74958531
O        0.59757000       1.16072000       4.19991000       0.85680499      -0.00741865       0.24214042
O        3.69748000       1.50811000       3.09496000       0.49354678       0.57754124      -0.34822386
Zn       4.53108000       0.64558000       6.32829000       1.10482768       0.58428820      -0.09097619
Zn       8.02371000       1.45138000       0.86574000      -0.21799346       0.01387366       0.43508697
Zn       2.45740000       0.05301000       3.90395000       0.63010681      -0.16356050      -3.31955694
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.08272342 magmom=11.9985149 free_energy=-96.08272342 stress="-0.00025311590166476606 -0.00529030627457774 -0.01354590467632918 -0.00529030627457774 -0.012934719581448035 0.01311666758032374 -0.01354590467632918 0.01311666758032374 0.008023880484275757" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39791000       1.15603000       6.18946000      -0.17860498      -0.13356367      -1.07827195
Cr       3.07446000       1.48893000       1.14432000      -0.70534140      -1.20191625       0.33308555
Cr      -0.34904000      -0.51722000       4.54233000      -1.52583976       1.71646702      -2.22584335
Cr       5.40593000       0.44474000       2.65398000      -0.02626598       0.73449294       0.93040585
O        0.33069000      -0.50494000       6.31780000       0.80303249      -0.07717652       2.17234773
O        4.66338000       0.21762000       0.81469000      -0.14729259       0.37716242      -0.61913312
O        2.99494000      -0.21291000       5.68250000      -0.30083566       1.54890428       0.19117563
O        2.21123000      -0.28848000       1.80295000      -1.22036330       0.30165526      -0.93962335
O        5.89091000       0.90961000       4.64977000      -0.97153772      -2.85115405       0.45613411
O        6.42654000       2.22607000       2.38522000       0.18870861      -0.60936433       0.47374110
O        0.58885000       1.25186000       4.15771000       2.02899876      -0.94826425       0.75835923
O        3.74661000       1.55561000       2.91579000       0.65103528       0.40074045       1.07821575
Zn       4.58835000       0.71048000       6.44094000       0.11440996       0.33864963      -1.92599657
Zn       7.91339000       1.43166000       0.86818000       0.48790950       0.31480042       2.22522357
Zn       2.34848000       0.05917000       3.83635000       0.80198680       0.08856665      -1.82982019
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.05787725 magmom=12.0001071 free_energy=-96.05787725 stress="-0.00037502557595677535 -0.006335795278882152 9.260907197978756e-05 -0.006335795278882152 -0.02662156496123552 0.020204326414297907 9.260907197978756e-05 0.020204326414297907 -0.01421587760319914" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43300000       1.12518000       6.25683000       1.49832911      -0.54069346      -3.49500629
Cr       3.08804000       1.47559000       1.08745000      -0.72844176      -0.30830820       0.38724227
Cr      -0.38418000      -0.44905000       4.53735000       0.40336927      -1.78112875      -0.90815832
Cr       5.34226000       0.39526000       2.67480000       2.24504273       1.58551931       0.23421269
O        0.40787000      -0.67359000       6.40057000      -0.75672992       1.15910761       0.36800232
O        4.70411000       0.09795000       0.76981000       0.33992238       1.80064271       1.50840780
O        3.03072000      -0.22281000       5.71780000      -0.12241413       1.50426709      -0.00306622
O        2.15051000      -0.09608000       1.63341000      -0.64956833      -1.77880926       0.36715754
O        5.93842000       0.69560000       4.63191000      -0.46123528       0.34815182       0.64505591
O        6.43376000       2.19473000       2.50858000       0.66617186      -0.25562018       0.07704154
O        0.85891000       1.18721000       4.29901000      -1.40391030      -0.01496537       0.02817677
O        3.91085000       1.66482000       2.83346000      -2.19972425      -1.31088949       1.42120519
Zn       4.66256000       0.80823000       6.47456000      -0.56505879      -0.35579048      -1.88346313
Zn       7.81357000       1.42028000       0.97952000       0.24925195       0.45836795       1.57578253
Zn       2.27154000       0.06810000       3.65376000       1.48499547      -0.50985130      -0.32259060
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.50667101 magmom=11.9979364 free_energy=-96.50667101 stress="0.00536803781702018 0.025148057484374948 -0.003938006814036267 0.025148057484374948 0.006507854411702573 0.005002479224792343 -0.003938006814036267 0.005002479224792343 -0.02975840987256029" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54338000       1.09004000       6.16975000      -0.68460501       1.80949015       1.99821430
Cr       3.05884000       1.44676000       1.08153000       0.60413948       0.70744272       1.26634603
Cr      -0.40833000      -0.48328000       4.48310000       1.98688439      -2.41274000       2.52156987
Cr       5.38780000       0.42058000       2.72100000      -0.89443869      -0.33808301       0.51598281
O        0.45258000      -0.61287000       6.53797000      -0.34202014       0.45526799      -2.51059107
O        4.70844000       0.27066000       0.88512000      -0.29489803      -0.26475598      -0.35153087
O        2.97677000      -0.00408000       5.75707000       1.26592943      -0.99761784      -0.86119378
O        2.04430000      -0.20641000       1.50843000       0.04091292      -0.68233783       0.78010360
O       -1.94471000       0.53133000       4.68888000      -0.62790335       1.66162735       0.26349207
O        6.49763000       2.11521000       2.64334000      -0.24140520       0.17141305      -1.15253019
O        0.86330000       1.09953000       4.41182000      -1.34119924       0.23645241      -2.32798536
O        3.78931000       1.59706000       2.95842000      -0.42325704      -0.09478209       0.39025730
Zn       4.70496000       0.88617000       6.42026000      -0.45203198      -0.40470928      -0.42890935
Zn       7.73773000       1.42710000       1.14747000       0.25491159       0.32711495      -0.65589125
Zn       2.26939000       0.05533000       3.47450000       1.14898088      -0.17378260       0.55266588
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.8833444 magmom=11.9995939 free_energy=-96.88335005 stress="0.006133821578979815 0.009245007883465429 0.009000324972161772 0.009245007883465429 0.0026170620302188347 0.009357916246782873 0.009000324972161772 0.009357916246782873 0.020644452509539453" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60137000       1.15038000       6.15787000      -1.22317493       1.68075151      -0.46920488
Cr       3.05725000       1.45862000       1.11822000      -0.30049847       0.09420044      -0.72167201
Cr      -0.35502000      -0.63027000       4.55401000       0.41231765       0.32935479       0.76665614
Cr       5.38943000       0.43618000       2.78541000      -1.43518559      -0.62629771       0.62405243
O        0.47799000      -0.45208000       6.36479000       0.17223211      -0.65681082       1.09002303
O        4.62634000       0.35027000       0.92755000       0.61486168      -1.21943803      -0.55198207
O        3.03687000       0.01857000       5.67612000       0.13778155      -0.69029899      -0.42248655
O        2.03117000      -0.40153000       1.51659000       0.37955520       0.98988719      -0.06836163
O        5.88429000       0.64545000       4.73778000       0.43133928      -0.67125034      -0.06551249
O        6.45883000       2.08463000       2.63283000      -0.98426216       0.46918089      -0.06631678
O        0.67402000       1.06712000       4.23942000       1.15862278       0.18695736      -0.18524261
O        3.63848000       1.51702000       3.06954000       0.88288390       0.73847305      -0.69364757
Zn       4.71831000       0.93312000       6.35820000      -0.41316903      -0.26271575       0.45439795
Zn       7.68826000       1.44001000       1.24519000       0.13595431      -0.08465309      -1.76576464
Zn       2.31959000       0.03299000       3.36693000       0.03074171      -0.27734048       2.07506169
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.66512692 magmom=11.9998565 free_energy=-96.66512692 stress="-0.016392167885264902 -0.0039392293197042265 0.011763846379551416 -0.0039392293197042265 -0.023150616554047272 0.0152510664447214 0.011763846379551416 0.0152510664447214 0.0344228381590425" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.71720000      -1.61888000       6.13155000       0.17546743      -1.47279208      -0.56315674
Cr       3.06084000       1.47202000       1.11123000       0.41334040      -1.38589850      -1.07311482
Cr      -0.28113000      -0.74369000       4.66384000      -0.26573412       2.29163697      -2.12663386
Cr       5.30940000       0.42291000       2.87173000      -0.90074755      -0.25796601      -0.64708882
O        0.57092000      -0.40935000       6.36912000      -0.46892668      -0.70293765       0.59129358
O        4.59419000       0.19755000       0.85038000       0.95815454       1.01519409       0.29186335
O        3.06461000      -0.08358000       5.54059000      -0.00221878       1.68575705      -0.14075926
O        2.09877000      -0.39065000       1.49632000      -1.01150988       1.01858315       0.13169559
O       -1.89222000       0.62456000       4.76441000      -0.52619584      -1.43120516       0.90301167
O        6.22452000       2.11923000       2.63290000       1.74580187      -0.34398319       0.07920059
O        0.68392000       1.06769000       4.07791000       0.84596120      -0.19761201       0.83993101
O        3.67683000       1.57842000       3.00344000      -0.30522337       0.07947951       0.33350211
Zn       4.70710000       0.96578000       6.32291000      -0.54548784      -0.43187203       0.50899950
Zn       7.64911000       1.44608000       1.24560000      -0.03806186       0.34301011      -0.94003605
Zn       2.37405000       0.00001000       3.37743000      -0.07461952      -0.20939425       1.81129214
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.38532069 magmom=11.9999467 free_energy=-96.38532074 stress="-0.009524188189926683 0.01131584588404949 0.001989657225436403 0.01131584588404949 -0.0058036447226130945 0.010750540993039561 0.001989657225436403 0.010750540993039561 0.02667472476827194" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.72156000      -1.52794000       6.05712000       1.27008709      -2.42261484       0.25306474
Cr       3.08898000       1.42543000       1.03508000      -0.31121435       0.73045051       0.73729428
Cr      -0.22006000      -0.75536000       4.67203000      -1.04464313      -0.09233895      -1.75994119
Cr       5.18485000       0.39642000       2.94104000       2.53817564       0.46327252      -1.10760285
O        0.61314000      -0.51380000       6.45596000      -1.29501167       0.97781657      -1.95492804
O        4.69055000       0.17972000       0.78584000       0.16352465       1.10770389       0.70557771
O        2.99916000       0.09235000       5.39872000       0.62393610       0.51790080       0.89931380
O        2.05969000      -0.18472000       1.46899000      -0.01559674      -1.08699885       0.62534776
O       -1.81064000       0.35782000       4.91911000      -0.55758122       1.36122457      -0.14530087
O        6.20712000       2.08250000       2.69543000       1.28229269      -0.28548515       0.42226388
O        0.85195000       1.05803000       4.13073000      -1.04130475       0.07707025       1.00636277
O        3.68449000       1.66416000       2.91888000      -1.42496693      -1.24316007       1.05842021
Zn       4.65850000       0.98825000       6.31185000      -0.13741161      -0.39534404       0.48824447
Zn       7.59784000       1.46741000       1.18046000       0.03487181       0.50434195      -0.38106390
Zn       2.43845000      -0.05658000       3.50230000      -0.08515759      -0.21383918      -0.84705277
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.16726748 magmom=12.0005628 free_energy=-95.16742041 stress="-0.013697745813468309 0.03469413929048889 -0.016990463084155874 0.03469413929048889 0.012020630453578518 -0.006326767223040983 -0.016990463084155874 -0.006326767223040983 -0.025488935189685178" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.67117000      -1.54684000       6.00330000      -1.76775651       1.13227944       3.83559491
Cr       3.10489000       1.39780000       0.95656000      -1.08987682       1.91306983       1.04829910
Cr      -0.22989000      -0.76374000       4.57529000      -0.45138886      -0.32524456       1.41491395
Cr       5.17929000       0.38215000       2.95763000       1.75698799      -0.48985324      -0.72858205
O        0.51512000      -0.49230000       6.29697000       1.28134086       0.78215746       1.83983600
O        4.77689000       0.40670000       0.83171000      -0.28270575      -0.90672222       0.36134635
O        3.03908000       0.38433000       5.44736000       1.29614519      -2.82040146      -0.20669514
O        2.04656000      -0.10184000       1.53362000       0.03631666      -1.47722283       0.00066984
O       -1.78414000       0.28058000       5.04800000      -1.32767793       1.49649938      -1.37381638
O        6.42620000       1.93750000       2.83389000      -1.50926014       0.07591609      -2.02037386
O        0.84879000       1.06242000       4.38827000      -0.66068925      -0.37084833      -3.44459604
O        3.50831000       1.57127000       2.95899000       1.50471516       0.40290785       0.10834797
Zn       4.58853000       1.00309000       6.32593000       1.39629693       0.18161522       0.73005662
Zn       7.53228000       1.52084000       1.07192000       0.50773574       0.51604963       0.21963550
Zn       2.51360000      -0.14633000       3.62743000      -0.69018325      -0.11020227      -1.78463676
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.41787854 magmom=12.0001137 free_energy=-96.41787854 stress="0.005475367257337526 0.009128098063681346 0.004829039476394787 0.009128098063681346 0.00060320120606768 0.018817783188563676 0.004829039476394787 0.018817783188563676 0.015261237152362772" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.68660000      -1.54250000       6.12360000      -0.13972409      -0.30911738      -0.05484022
Cr       3.04982000       1.46685000       0.96083000      -0.75118935       0.67359746       3.28114923
Cr      -0.29994000      -0.78746000       4.54021000       0.19772882       1.42469265       0.85301747
Cr       5.29401000       0.34104000       2.91922000      -0.88003209      -1.41197346      -0.85217097
O        0.63431000      -0.31946000       6.38245000      -0.79107265      -0.77167329      -0.85439468
O        4.71788000       0.50753000       0.91611000       0.55505524      -1.60839888      -0.93211526
O        3.11976000       0.18355000       5.55999000      -1.28342896      -0.77008699      -0.10683598
O        2.11799000      -0.26267000       1.56045000      -0.33770488       0.02398754      -0.50737279
O       -1.92353000       0.51167000       4.87693000       0.08024420      -0.49975745      -0.32614751
O        6.41996000       1.79945000       2.69177000       0.03251018       2.12325862      -0.46363233
O        0.70856000       1.03312000       4.23315000       1.18719567       0.03450178       0.22965946
O        3.61736000       1.51208000       2.99104000       0.59734490       0.31265414       0.29565056
Zn       4.59041000       1.04247000       6.38497000       0.95833079       0.23335289      -0.48308497
Zn       7.48551000       1.60778000       0.96161000       0.93429533       0.34655541       1.25036585
Zn       2.57036000      -0.25905000       3.66913000      -0.35955312       0.19840694      -1.32924788
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.84474594 magmom=11.9997189 free_energy=-95.84474594 stress="-0.00848124343695329 -0.000148020291222065 0.01726788775396416 -0.000148020291222065 -0.0366352708608941 0.026792343398798397 0.01726788775396416 0.026792343398798397 0.009592475729876785" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.72730000      -1.56633000       6.24353000      -0.78789287      -2.53755750      -0.97874929
Cr      10.84855000       1.54177000       1.09916000       2.95405750      -2.34417944      -0.11313458
Cr      -0.34412000      -0.74053000       4.55381000       1.65442141       1.86992762      -0.90170289
Cr       5.37632000       0.26341000       2.82676000      -0.55802237       1.02864758      -1.86099610
O        0.63336000      -0.33088000       6.45850000      -2.24057749      -1.32863706      -0.84491026
O        4.65774000       0.33475000       0.86802000       0.15519728      -0.34866851       0.71151908
O        2.98645000      -0.09155000       5.61334000       1.85327507       2.93190809      -0.33380685
O        2.14552000      -0.34321000       1.50677000      -2.57422669       1.98104586       1.04424559
O        5.84729000       0.64404000       4.66068000       0.39414537      -1.47207037       2.09290094
O        6.33542000       1.96032000       2.49753000       0.86516517       0.31748577       0.73398662
O        0.71292000       1.02422000       4.11980000      -0.03120969       0.12738196       1.05600602
O        3.82070000       1.51004000       3.02226000      -1.79713613      -0.23751796       0.33621644
Zn       4.64331000       1.09338000       6.41925000      -0.37649417      -0.31691112      -2.24958790
Zn       7.48512000       1.69442000       0.91763000       0.88707694       0.12382039       1.80164342
Zn       2.60082000      -0.34979000       3.64997000      -0.39777935       0.20532467      -0.49363025
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.11595461 magmom=11.9999635 free_energy=-97.11595461 stress="0.02449615913781283 0.011514921407845826 0.005280269366167498 0.011514921407845826 0.010831668122416283 0.01772498634752267 0.005280269366167498 0.01772498634752267 0.024346768392190483" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.78490000      -1.68225000       6.25858000      -1.00060429      -0.40290902      -2.13229958
Cr       3.02690000       1.49950000       1.19617000      -1.97247358      -1.53057949      -1.20865623
Cr      -0.31331000      -0.63398000       4.52318000      -0.16048164      -0.58686625       0.36996629
Cr       5.40643000       0.26875000       2.70258000      -1.06424796       1.80844368       1.61194135
O        0.37191000      -0.55003000       6.43747000       0.91006406       0.53293854       0.38180470
O        4.61350000       0.16064000       0.89308000       0.66181496       1.36700758       0.11212571
O        3.01717000       0.06316000       5.65988000      -0.45410835      -0.39522133       0.12035213
O        1.99566000      -0.16860000       1.59675000       0.74998476      -0.76915634       0.55220836
O       -1.95011000       0.53396000       4.72340000       0.27856774       0.31439396      -0.25771172
O        6.37222000       2.11033000       2.52806000       0.79068036      -1.34198800       0.18746093
O        0.71722000       1.05883000       4.26433000       0.63743298       0.39793445       0.39544403
O        3.73366000       1.49901000       3.03223000       0.24741666       0.15989807       0.09906748
Zn       4.67085000       1.11998000       6.35863000      -0.16143554      -0.13020365      -1.33351238
Zn       7.52474000       1.75606000       0.95061000       1.03448270       0.14997376       0.69511709
Zn       2.60070000      -0.40112000       3.61659000      -0.49709286       0.42633405       0.40669184
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.94149282 magmom=12.0002085 free_energy=-96.94149282 stress="0.0003622692919524594 0.0193199684155571 -0.004294717255681977 0.0193199684155571 0.0027915796622763954 0.012383199213138837 -0.004294717255681977 0.012383199213138837 -0.013059630110912676" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41621000       1.11081000       6.17649000       0.12750485       1.45031393       2.64661576
Cr       2.97583000       1.39410000       1.20390000       0.29615939       1.15277505      -1.20680274
Cr      -0.28892000      -0.58198000       4.52306000       0.30256145      -1.63204308       0.99255467
Cr       5.39918000       0.36468000       2.68291000      -0.29166400      -0.37627024       1.75826669
O        0.33726000      -0.62764000       6.47122000       0.27817101       0.78250983       0.17390654
O        4.60524000       0.20981000       0.91815000      -0.28278441      -0.07439532      -0.59202906
O        2.94351000       0.12959000       5.72099000       0.81354590      -1.48711520      -0.83729768
O        2.01883000      -0.15691000       1.74848000      -0.36936098      -1.60692811      -0.27809181
O       -1.82554000       0.51022000       4.72712000      -1.39974906       1.10077911      -0.30539977
O        6.44581000       2.03292000       2.62948000      -0.23494956       0.46694246      -0.86080786
O        0.77381000       1.13031000       4.45540000      -0.47612276      -0.36160358      -2.89801566
O        3.70329000       1.52724000       3.01414000       0.87938453       0.20063466       0.44533323
Zn       4.68323000       1.14025000       6.24459000      -0.31458439      -0.32668590      -0.04186709
Zn       7.60767000       1.80581000       1.01051000       0.48485987       0.17754964      -0.28999728
Zn       2.57862000      -0.42063000       3.61107000       0.18702814       0.53353673       1.29363205
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.9301913 magmom=12.0001418 free_energy=-96.9301913 stress="-0.024732393398808984 -0.0015486047029953016 0.005994140337165005 -0.0015486047029953016 -0.0267230876135376 0.01631590584997257 0.005994140337165005 0.01631590584997257 0.0068473157313468655" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33609000       1.06236000       6.20422000       2.63409309       2.21493204      -0.54286195
Cr       2.92509000       1.32913000       1.15194000       1.35410826       0.74239214       1.35716091
Cr      -0.27623000      -0.62477000       4.57304000      -0.40652897       0.36995044      -1.16439423
Cr       5.38129000       0.45519000       2.76720000       0.12677254      -1.40395428      -0.67409609
O        0.41385000      -0.53810000       6.52022000      -1.81831861      -1.33400370      -1.17498692
O        4.50482000       0.26260000       0.84697000       0.64758568      -1.03575234       0.63886537
O        2.89054000      -0.07422000       5.65261000       0.23226471       0.09604782      -0.09163774
O        2.07539000      -0.41316000       1.79458000       0.07090275       0.97783926      -0.32677558
O        5.98654000       0.67698000       4.65666000      -0.45535114      -1.10791535       0.91460826
O        6.43598000       2.04247000       2.62680000       0.33494903       1.33977800      -0.55972766
O        0.73310000       1.09808000       4.26418000      -0.32373846      -0.75465603       0.58344085
O        3.84187000       1.59783000       3.01690000      -1.36078254       0.13577132       0.19284705
Zn       4.67678000       1.15184000       6.11567000      -0.80135658      -0.50725547       0.97687279
Zn       7.72680000       1.85903000       1.05971000      -0.96496133      -0.18486107      -0.88858864
Zn       2.56920000      -0.40799000       3.67818000       0.73036158       0.45168723       0.75927359
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.81864517 magmom=12.0002698 free_energy=-95.81865397 stress="-0.0446777381973392 -0.005276640827388111 0.011986591753168092 -0.005276640827388111 -0.02960557855744739 0.013105183072460422 0.011986591753168092 0.013105183072460422 -0.006554786721801103" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38576000       1.11783000       6.24730000      -0.89790069      -1.85349402      -1.43260022
Cr       2.96492000       1.29818000       1.15289000       1.12602121      -0.44065362       0.45486312
Cr      -0.29816000      -0.68273000       4.55936000      -1.06336809       0.13309601      -1.88331387
Cr       5.37295000       0.49990000       2.83800000       0.19838977       0.09324136      -2.22887881
O        0.28919000      -0.60814000       6.39168000       0.87966942      -0.14883880       1.22929780
O        4.45763000       0.11087000       0.84756000       1.45165690       0.22568543       0.13977365
O        2.87080000      -0.29793000       5.60549000       0.97686266       2.25682605       1.43865391
O        9.48839000       2.40667000       1.77093000      -1.08829659       1.98805885       1.02676403
O        5.85525000       0.68557000       4.68559000       0.68969991      -1.35883417       0.08094252
O       -0.89731000      -0.63391000       2.53386000      -0.20722393      -1.15974225       0.44915772
O        0.57526000       0.92192000       4.09468000       1.80472533       1.51008656       1.20013633
O        3.80712000       1.68789000       3.01712000      -0.88605133      -0.76027354       0.43872098
Zn       4.61826000       1.14763000       6.01432000      -0.81371135      -0.01505053       2.37431456
Zn       7.82127000       1.90773000       1.06814000      -1.73588505      -0.21961707      -1.05808900
Zn       2.59277000      -0.36856000       3.79636000      -0.43458817      -0.25049027      -2.22974271
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.05277038 magmom=12.0002274 free_energy=-96.05319715 stress="-0.010685077904489667 0.0027938501048435723 0.002575343377523338 0.0027938501048435723 0.001144250032237145 0.008086091028797517 0.002575343377523338 0.008086091028797517 0.02441356600277262" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41890000       1.09753000       6.21506000      -1.21254113      -1.40601189      -0.60205103
Cr       3.09349000       1.25392000       1.20773000      -0.85433887       1.53573454      -0.46599098
Cr      -0.37740000      -0.74380000       4.42710000       0.70459114       0.19651677       1.43183500
Cr       5.37003000       0.54892000       2.79033000      -1.87493275      -0.70548210      -1.03714465
O        0.30959000      -0.77340000       6.37356000       0.79415302       0.98712129       0.73424898
O        4.65067000      -0.02926000       0.83965000       0.11340270       1.79378764       0.33262372
O        2.99768000      -0.13705000       5.85022000      -0.62322673      -0.02662660      -1.08701358
O        2.20173000      -0.23215000       1.88913000      -1.13273485      -2.00555806      -0.64750206
O       -2.01761000       0.39808000       4.69542000       0.20125650       1.07361088      -0.20748040
O       -1.00610000      -0.57663000       2.52241000       1.22326739      -1.88606054       0.03762502
O        0.64804000       0.95282000       4.21240000       0.86150369       0.24656102       0.42917510
O        3.63173000       1.64447000       3.06941000       1.76257564      -0.48265825       0.44878959
Zn       4.48740000       1.14532000       6.01586000       0.78775446       0.31803318       1.70531393
Zn       7.84626000       1.95296000       1.01496000      -0.32159520       0.17833318      -0.71813037
Zn       2.60389000      -0.32314000       3.84949000      -0.42913501       0.18269894      -0.35429826
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.31791364 magmom=12.0021089 free_energy=-95.31827217 stress="-0.04112546449285949 0.012779034479842038 -0.022411461098509125 0.012779034479842038 -0.014151895194100688 -0.0068036141449605665 -0.022411461098509125 -0.0068036141449605665 -0.01646718337259612" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38050000       0.98671000       6.17255000       0.80480168       0.89924754       2.65100876
Cr       3.18555000       1.28061000       1.25177000      -1.87877286       1.41753070      -1.02479640
Cr      -0.41886000      -0.80214000       4.35878000       1.88910491      -0.24339330       2.33807312
Cr       5.30646000       0.53667000       2.68004000       1.41096161      -3.70562826       1.44547892
O        0.51083000      -0.74682000       6.51826000      -1.86234274       0.89446472       0.18968541
O        4.79926000       0.14285000       0.87407000      -1.38233641      -0.21442277       0.07676030
O        2.98538000       0.00734000       5.93251000      -0.26655297      -2.26145576      -1.89823366
O        2.07917000      -0.19804000       1.86674000       1.17328173      -0.99916774      -0.28922160
O       -1.95845000       0.28552000       4.62256000      -0.38169603       1.94653701       0.16470344
O        6.31760000       2.07642000       2.53838000       1.06063465       1.23893651      -1.05990115
O        0.83586000       1.04261000       4.41050000      -1.29694086      -0.87622169      -2.58965848
O        3.72868000       1.49146000       3.14931000      -0.62143058       0.86990628      -0.01384655
Zn       4.39310000       1.17889000       6.11070000       1.74234428       1.01374070       1.24607722
Zn       7.84847000       2.00156000       0.92356000      -0.38164691      -0.13266045      -0.59594519
Zn       2.59417000      -0.26772000       3.87424000      -0.00940949       0.15258651      -0.64018412
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.63509249 magmom=11.9987027 free_energy=-96.63509249 stress="-0.009804438010184203 -0.005575759878170856 -0.02060195796860301 -0.005575759878170856 -0.01860557442481937 0.009711987160460756 -0.02060195796860301 0.009711987160460756 -0.012774771135893984" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36870000       0.94906000       6.23706000       0.52634409       2.13743847      -0.42133159
Cr       3.14677000       1.37965000       1.24280000      -2.08094774       0.33414494       1.22974733
Cr      -0.37349000      -0.84723000       4.40916000       1.41979191       1.88210425       0.00116878
Cr       5.34678000       0.35978000       2.66913000       1.75087793      -0.89180034       1.75107130
O        0.45208000      -0.60785000       6.66895000      -1.37215318      -1.65360533      -2.09396866
O        4.65012000       0.26549000       0.91451000       0.82901640      -1.30952770      -0.96950200
O        2.89519000      -0.23399000       5.71094000       1.11522194       0.44468344       1.11674312
O        2.20089000      -0.34208000       1.75018000      -0.16491729       0.22264470       0.11932798
O       -1.91650000       0.49931000       4.57095000      -0.52587868      -1.40380002       0.83316571
O        6.45089000       1.96108000       2.44924000      -0.23122525       0.67101086       0.11416901
O        0.78167000       0.95055000       4.30142000      -0.67415295      -0.54430156       0.35434954
O        3.78900000       1.47485000       3.16153000      -0.25085237       0.51264990      -0.34513635
Zn      -2.90761000      -1.65785000       6.24369000      -0.14391757      -0.20732286      -0.36254260
Zn       7.83462000       2.03229000       0.82632000       0.06848453      -0.09959845       0.82318229
Zn       2.58001000      -0.21518000       3.85707000      -0.26569176      -0.09472029      -2.15044386
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.78992197 magmom=11.9992623 free_energy=-96.78992197 stress="0.002178548921939181 -0.011967995994365217 -0.007264588441059844 -0.011967995994365217 -0.023357857763093383 0.014314924198898907 -0.007264588441059844 0.014314924198898907 0.020321830132399847" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36954000       1.00744000       6.27108000      -0.92468670      -0.73045557      -1.46050733
Cr       3.03813000       1.44132000       1.25102000       1.62284736      -2.26730815      -1.12196028
Cr      -0.29446000      -0.81274000       4.45312000      -1.13971650      -0.38109396       0.50795656
Cr       5.47810000       0.19524000       2.74333000      -0.42951964       1.71962631      -0.52193196
O        0.28264000      -0.69331000       6.52496000       0.83858398       0.01349634      -0.50563723
O        4.60005000       0.16087000       0.86030000       0.75146274       0.32018107       0.73443825
O       -4.87576000      -0.35359000       5.69693000       0.21033834       1.18816977       0.21303329
O        2.24239000      -0.34234000       1.71001000      -2.67256649       1.15822154       0.95388816
O       -1.91868000       0.49044000       4.62261000      -0.09251899      -1.00847700       0.56167939
O        6.47317000       1.96256000       2.44780000       0.26444598      -0.34623926       0.30888224
O        0.65280000       0.81949000       4.27090000       2.12894271       1.25140840       0.29128054
O        3.80133000       1.52749000       3.07766000      -0.36981986      -0.78709384       0.28107252
Zn      -2.91001000      -1.60201000       6.32891000      -0.35424943      -0.08914015      -1.30114802
Zn       7.82271000       2.04518000       0.78652000       0.09705863      -0.03875275       1.48739999
Zn       2.55822000      -0.17913000       3.76156000       0.06939786      -0.00254276      -0.42844613
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.7864754 magmom=12.0001994 free_energy=-96.7864754 stress="0.020041949397542978 -0.001969800737963683 -0.01772778849176926 -0.001969800737963683 0.005656708600250722 0.005029476541716368 -0.01772778849176926 0.005029476541716368 -0.00783131564092787" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33717000       1.03101000       6.22406000       1.96765529      -0.70917557      -0.41252583
Cr       3.00859000       1.38951000       1.21549000       0.13552426      -0.18674404      -0.31474688
Cr      -0.27759000      -0.79661000       4.50673000      -0.11314179      -1.16060681      -0.27735046
Cr       5.56981000       0.15133000       2.78656000      -2.64889425       1.10448973      -0.71897740
O        0.34589000      -0.75582000       6.33507000      -0.14699711       0.93731824       2.18881552
O        4.63686000       0.08254000       0.89440000      -0.54462952       0.65372520      -0.28334525
O       -4.80510000      -0.25660000       5.76903000      -0.47845790       0.45185739      -0.37641756
O        1.96973000      -0.17985000       1.79450000       1.42999545      -0.80020482      -0.61477763
O       -1.89713000       0.29287000       4.70222000       0.34128537       0.69933559       0.06040506
O        6.47633000       1.89975000       2.56723000       1.04450062      -0.40167979      -0.28509320
O        0.82189000       0.89690000       4.33979000      -0.08523658       0.13296439      -0.67869609
O        3.77097000       1.46875000       2.99131000       0.08724255      -0.21125745       0.78096223
Zn      -2.93417000      -1.55846000       6.34052000      -0.66507384      -0.05259963      -0.88971219
Zn       7.81028000       2.04822000       0.81921000      -0.73725678      -0.30728049       0.62091648
Zn       2.54265000      -0.15105000       3.66126000       0.41348422      -0.15014192       1.20054320
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.61571222 magmom=11.999879 free_energy=-96.61571222 stress="-0.009381127139712661 -0.00042531511267449897 -0.009846076784045905 -0.00042531511267449897 -0.013985602073516413 -0.0002862501637122878 -0.009846076784045905 -0.0002862501637122878 -0.016078691466073852" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41781000       1.02208000       6.15338000       1.33930093       1.33952423       1.77202620
Cr       3.00668000       1.31109000       1.16021000       0.32721149       1.63222206       0.09672415
Cr      -0.27136000      -0.87014000       4.57880000       1.99403838      -1.05254751       0.08540797
Cr       5.52403000       0.16916000       2.78966000      -1.38137023      -0.81369311      -0.30785451
O        0.47475000      -0.63458000       6.47220000      -1.22712240      -0.52502215      -0.81241546
O        4.52291000       0.11309000       0.88271000       1.23223373      -0.02391873       0.09273350
O        3.01827000      -0.04167000       5.76718000       0.42197981      -0.74592393      -0.55202511
O        1.97761000      -0.15429000       1.73952000       0.45775923      -1.71601808      -0.43108212
O       -1.76191000       0.21401000       4.72716000      -1.41467980       1.38495510       0.13205479
O        6.57402000       1.77378000       2.69953000      -0.48983161       1.11484843      -1.26881846
O        0.98955000       1.04292000       4.31161000      -1.50664726      -0.57813886      -0.76376282
O        3.77042000       1.37426000       2.99627000       0.86906895       0.56749475       0.62758197
Zn      -3.00859000      -1.50568000       6.30128000      -0.09543427       0.13104942       0.18930635
Zn       7.75323000       2.02848000       0.90009000      -0.61939276      -0.30698794       0.09773891
Zn       2.54839000      -0.12882000       3.61044000       0.09288581      -0.40784367       1.04238465
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.98081233 magmom=12.0001615 free_energy=-95.98081233 stress="-0.049694996697832235 0.01465183000752972 0.015563014436916194 0.01465183000752972 -0.031987598498603685 -0.008030153332018963 0.015563014436916194 -0.008030153332018963 0.024610013732638283" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60507000       1.08996000       6.16675000      -3.05002348       1.64708196       0.51835413
Cr       3.03706000       1.29418000       1.10051000       0.89959229       0.03622543       0.66795274
Cr      -0.18885000      -1.03492000       4.67196000      -1.07075731       2.97335691      -1.57208132
Cr       5.38419000       0.16585000       2.77628000       3.01334916       0.09145306       0.39172521
O        0.48259000      -0.50557000       6.51405000       0.47782924      -0.96114705      -1.94537195
O        4.56283000       0.14183000       0.86499000       1.85395693      -0.53528283       0.15631892
O        3.04155000       0.05889000       5.61562000       1.02964022      -1.99463348      -0.45824564
O        9.50070000       2.47398000       1.52267000      -1.61447457       0.80944414       1.12483899
O       -1.73343000       0.34533000       4.72741000      -1.28363142      -2.03723343       0.46541482
O        6.53875000       1.80095000       2.67257000      -0.75652775       0.48607777      -0.32805958
O        0.93101000       1.11846000       4.19740000       1.27314748      -1.05852734       0.88446506
O        3.92469000       1.36481000       3.09295000      -2.11403273       0.14543094      -0.05235009
Zn      -3.11892000      -1.41376000       6.25590000       1.85029059       0.58243457       0.85060653
Zn       7.62710000       1.97294000       1.02439000       0.01814171      -0.04186729      -0.29771698
Zn       2.56355000      -0.12033000       3.59998000      -0.52650035      -0.14281336      -0.40585083
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.03624686 magmom=11.9997412 free_energy=-96.0362838 stress="-0.01771528635577504 0.010103611998730272 0.012701840605961738 0.010103611998730272 0.003141537914519543 -0.00544747062008808 0.012701840605961738 -0.00544747062008808 0.017045268477556354" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.64871000      -1.68575000       6.19802000      -0.76355104      -1.79197665      -1.76992753
Cr       3.13044000       1.28346000       1.06180000       0.35573617      -0.83899804       0.58013258
Cr      -0.18544000      -1.08097000       4.66859000      -1.80021555       1.69856211      -2.17079403
Cr       5.39002000       0.17365000       2.79530000       0.35386477       0.53852488       1.16597901
O        0.59836000      -0.56749000       6.31381000       0.55281093      -0.02952750       2.36224025
O        4.84301000       0.06746000       0.86945000      -1.23115498       0.05496608      -0.26620502
O        3.18185000      -0.14640000       5.46056000      -0.10320132       0.89763936       1.47553014
O        9.48219000       2.35159000       1.48290000      -0.16968550       1.48896817       0.52987181
O       -1.82969000       0.25067000       4.77400000       0.40793855      -0.55606635       0.11972144
O        6.33466000       1.90651000       2.61855000       1.14588964      -0.61205288       0.84803119
O        0.99647000       1.03835000       4.26879000      -0.24876060      -0.56092126       0.11916305
O        3.81245000       1.39461000       3.11197000      -0.65651242      -0.11260506      -1.28281750
Zn      -3.14817000      -1.29798000       6.25141000       1.82127282       0.11804328       0.41537735
Zn       7.50548000       1.91221000       1.12373000       0.79491161       0.20792545      -1.37948192
Zn       2.55465000      -0.12319000       3.57388000      -0.45934309      -0.50248160      -0.74682080
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.01122196 magmom=12.0000877 free_energy=-96.0113111 stress="-0.01355129271525568 0.016272614879988642 0.0061668794012650725 0.016272614879988642 -0.008922840019261876 -0.006855156851880584 0.0061668794012650725 -0.006855156851880584 -0.029125097597978884" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64803000       1.23561000       6.13712000       0.87867123      -3.60056925       0.48374435
Cr       3.22536000       1.23128000       1.05644000      -1.80702224       0.53088177       0.39328704
Cr      -0.27589000      -1.02367000       4.57922000       1.93396644       0.44383483       1.33817602
Cr       5.42058000       0.20134000       2.86412000      -2.39181512      -0.89879968      -0.63369482
O        0.73655000      -0.65147000       6.44981000      -2.25764712       0.94433680      -1.08043995
O        4.84969000       0.01532000       0.86905000      -0.00016277       0.83362643       0.35683616
O        3.24787000      -0.17110000       5.57116000      -0.35654905       1.49876929      -0.58896637
O        2.13082000      -0.37908000       1.54315000       0.30275916      -0.58909346      -0.26425130
O       -1.80162000       0.10501000       4.80117000      -0.54871981       1.09017599       0.18500562
O        6.32419000       1.88350000       2.73254000       1.42863938      -0.07631172      -0.21257927
O        0.97611000       0.89304000       4.37157000      -1.31032451      -0.13044624      -1.32386271
O        3.64955000       1.42781000       2.90177000       1.65100726       0.07190065       1.80739019
Zn      -3.08717000      -1.19839000       6.27295000       1.30725836      -0.18623744       0.57776215
Zn       7.45040000       1.87235000       1.14149000       1.42534314       0.60141577      -1.06331120
Zn       2.52474000      -0.15169000       3.52037000      -0.25540437      -0.53348372       0.02490407
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.52867045 magmom=12.0002126 free_energy=-96.52867045 stress="-0.0014525150160024107 0.008806112925898963 0.006200955382209507 0.008806112925898963 -0.006380246426823906 -0.003480620948778733 0.006200955382209507 -0.003480620948778733 -0.01067964063878069" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.65514000       1.05214000       6.08721000      -1.91006273       0.60595242       1.16012138
Cr       3.21080000       1.22127000       1.07204000      -0.90958505       2.52584976       0.10052773
Cr      -0.27899000      -0.93738000       4.57865000       0.89440861      -0.42336274       1.86248852
Cr       5.34605000       0.18668000       2.90556000       1.60577223       0.19684373      -0.60349776
O        0.59592000      -0.62734000       6.45540000       0.42319826      -0.46857396      -1.02917495
O        4.76013000       0.10886000       0.91743000       0.99684549      -0.40840078      -0.64451079
O        3.19059000       0.03770000       5.61595000       0.16785509      -1.33026804      -0.89651856
O        2.18876000      -0.29513000       1.53353000      -0.75805611      -1.79656381       0.36096027
O       -1.82694000       0.17832000       4.81926000      -1.02557871       0.47994571       0.28019459
O        6.49583000       1.80857000       2.78306000      -1.23286105       0.42115551      -1.44694772
O        0.74817000       0.75694000       4.30448000       1.48573427       0.66130022      -0.47175602
O        3.79864000       1.46133000       2.95673000      -0.92317952      -1.06405470       1.23798476
Zn      -2.95677000      -1.11006000       6.31801000       0.37993753      -0.12923599      -0.60213143
Zn       7.47344000       1.86322000       1.10379000       0.95999065       0.69209209       0.07320997
Zn       2.47862000      -0.20893000       3.47216000      -0.15441898       0.03732057       0.61905001
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.25213375 magmom=12.0001037 free_energy=-96.25213375 stress="0.0016941928216657198 0.00802763294821884 0.009579631446835303 0.00802763294821884 0.0012627160225255486 -0.005507428597724799 0.009579631446835303 -0.005507428597724799 0.02392237778433073" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.56505000       0.88226000       6.09948000       0.58116078       2.97133730      -0.11909972
Cr       3.13714000       1.32357000       1.08566000       0.49948935      -0.62945043       0.66595899
Cr      -0.24840000      -0.87622000       4.65824000      -2.13658610      -0.78767910      -2.63654858
Cr       5.35202000       0.16904000       2.91083000       1.37875628      -0.20637619      -0.31472864
O        0.54838000      -0.68658000       6.35087000       0.04001710      -0.99154835       2.06982414
O        4.73590000       0.15482000       0.86771000      -0.25285555      -0.77743595      -0.13864536
O        3.10420000       0.03434000       5.49753000       0.15333954      -1.84958897       0.15897575
O        9.48795000       2.45214000       1.53408000      -0.32642663       0.73519238       0.13201573
O       -1.96995000       0.36354000       4.84988000       1.17171051      -0.56764573       0.35312552
O        6.43450000       1.81631000       2.65914000      -0.38983393       0.61747372       0.68237645
O        0.73873000       0.75726000       4.18265000       0.70774228       0.85343143       0.62949934
O        3.85366000       1.35039000       3.22477000      -1.58102633       0.48288211      -1.68575057
Zn      -2.80369000      -1.03213000       6.32996000      -0.54265127      -0.61080395      -1.65158803
Zn       7.55162000       1.88858000       1.06650000       0.13815644       0.64044328       0.72498818
Zn       2.42613000      -0.26838000       3.46307000       0.55900754       0.11976846       1.12959681
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.40968539 magmom=11.9993596 free_energy=-96.40968539 stress="-0.012059830507545501 0.003753303675719196 0.0032079967859183984 0.003753303675719196 -0.015890711941163784 -0.012519495241407533 0.0032079967859183984 -0.012519495241407533 0.015116191926397633" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50345000       0.86441000       6.10915000       1.71159589       0.90937411      -0.24607048
Cr       3.09657000       1.38998000       1.13602000       0.46381226      -3.11502583       0.43368195
Cr      -0.32226000      -0.85561000       4.62044000       1.78545387       0.64905008      -0.26955601
Cr       5.41959000       0.16152000       2.90292000      -3.35075329       0.79303827      -0.74905877
O        0.54483000      -0.86464000       6.50245000      -1.37800107       0.78697545      -1.41808022
O        4.64380000       0.04408000       0.80454000       1.13688710       0.94977281       1.30581548
O        2.98059000      -0.31389000       5.45507000       0.23782226      -0.37075157       1.12731640
O        9.43295000       2.42078000       1.55754000      -0.49611118       1.40123544       0.54467894
O       -1.87959000       0.43218000       4.87408000      -0.43340729      -1.17099986      -0.15864810
O        6.29024000       1.91631000       2.67082000       2.26560786      -0.72020182      -0.07568642
O        0.81737000       0.90079000       4.22920000      -1.68164087      -0.90809969       0.03879374
O        3.69465000       1.31435000       3.12209000       0.90010584       0.75850645      -0.86684148
Zn      -2.68252000      -0.98857000       6.25704000      -1.25572531      -0.39847250      -0.49595963
Zn       7.63846000       1.94525000       1.06724000      -0.62050096       0.35203310       0.19395406
Zn       2.40433000      -0.32165000       3.51184000       0.71485488       0.08356555       0.63566053
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.17362325 magmom=12.0000515 free_energy=-96.17362325 stress="-0.01977685297528466 -0.03838486645704024 0.0043276119124356655 -0.03838486645704024 -0.048471200410615804 0.003341759622810245 0.0043276119124356655 0.003341759622810245 -0.01508979180954979" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51324000       0.87654000       6.12838000      -2.77743739      -3.51705228       2.17250822
Cr       3.07818000       1.30078000       1.17410000      -0.63711440       0.10750499      -2.78167779
Cr      -0.32391000      -0.82242000       4.56360000       1.06534445      -0.87522027       0.93835583
Cr       5.34782000       0.19301000       2.84478000       0.49683705       0.47716172      -0.95888939
O        0.38718000      -0.89867000       6.47290000       0.49713986       0.68912893      -0.03370079
O        4.66172000       0.03606000       0.92342000       0.41675339       0.58557563      -0.53848317
O       -4.95062000      -0.60547000       5.60893000       2.60592685       4.39601873      -1.68803140
O        2.08853000      -0.28095000       1.66595000       0.32072881      -1.05135745       0.59920395
O       -1.83151000       0.32755000       4.81907000      -2.07391085       0.32797128      -0.40610983
O        6.41601000       1.92483000       2.70162000      -0.52615614      -0.13840301      -0.88575384
O        0.63287000       0.87561000       4.33572000       1.58035719      -0.61356428      -1.02617161
O        3.70994000       1.43106000       2.88886000       0.63633915      -0.21858661       3.56629062
Zn      -2.61807000      -0.96885000       6.15456000      -0.79455658      -0.07496002       0.98337679
Zn       7.68718000       2.01635000       1.07922000      -1.02218761       0.01472104      -0.54759200
Zn       2.41789000      -0.37179000       3.59909000       0.21193622      -0.10893842       0.60667440
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.371582 magmom=12.0016459 free_energy=-96.37158386 stress="0.01738812907910833 -0.026469185400311644 0.005953424376669072 -0.026469185400311644 -0.0145293982809314 0.008831078862538349 0.005953424376669072 0.008831078862538349 -6.596478729494142e-05" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43809000       0.77859000       6.22972000       2.18574874       2.27009951      -1.45753490
Cr       3.04783000       1.21770000       1.10985000       0.25825108       2.04019201       2.18783856
Cr      -0.28999000      -0.84827000       4.54165000      -2.08965200      -1.84727584      -0.98481154
Cr       5.30060000       0.25821000       2.74418000       1.83356013      -0.23204879       0.88744578
O        0.35930000      -0.79232000       6.43514000       0.18217516      -0.89139701       0.69016633
O        4.67857000       0.12260000       0.90047000      -0.75877745      -0.68562842      -1.30775955
O       -4.77525000      -0.32098000       5.59981000      -1.61776923      -0.57882068       0.62622414
O        2.14300000      -0.25829000       1.84216000      -0.35713085      -1.65082522      -0.88602707
O       -2.05594000       0.27110000       4.65783000       1.59201487       0.75717463       0.63851562
O        6.46624000       1.89478000       2.62614000      -0.50523254       0.50071410      -0.21981685
O        0.68047000       0.75017000       4.32947000       1.03992834       1.13076986       0.04732248
O        3.81573000       1.49820000       3.09738000      -1.26433707      -0.64789500      -1.14221097
Zn      -2.60043000      -0.95932000       6.10104000      -1.25541633      -0.30347326       0.88418794
Zn       7.68021000       2.08237000       1.06392000      -0.32790445       0.07549034      -0.56985008
Zn       2.45325000      -0.42160000       3.71826000       1.08454159       0.06292376       0.60631011
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.4894044 magmom=12.0006251 free_energy=-96.48940568 stress="-0.0086970770569866 0.011974992301672713 0.007100549978266167 0.011974992301672713 -0.0059159703723970355 -0.009761764312969809 0.007100549978266167 -0.009761764312969809 -0.011658775710179183" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46552000       0.79838000       6.23417000      -0.84289481       2.61207461      -1.28625343
Cr       3.02663000       1.24337000       1.16342000      -0.45246903      -0.22050694       1.07314890
Cr      -0.35165000      -0.96297000       4.47176000       1.72218822       1.33322248       0.46518189
Cr       5.34749000       0.30549000       2.68825000      -0.71226170      -1.41998004      -0.43569255
O        0.43460000      -0.81396000       6.50285000      -1.08914435      -0.57257286      -1.22450221
O        4.54639000       0.08775000       0.76310000       1.23662083      -0.45449300       2.91789342
O        2.98663000      -0.10050000       5.71392000       1.78218484      -1.81985969       0.02097216
O        9.47699000       2.40056000       1.82033000      -0.72577113       0.84514306      -0.13443297
O       -1.99892000       0.35833000       4.57884000       0.58413097      -0.84449841       1.08367493
O        6.37291000       1.95166000       2.53422000       0.48462551       0.46683025      -0.13115988
O        0.84206000       0.76753000       4.35348000      -1.57146706      -0.25363455      -0.72133055
O        3.77925000       1.45323000       3.07421000      -0.12755099       0.24663004      -0.65071389
Zn      -2.64862000      -0.96594000       6.09587000      -1.07834242      -0.13778691       0.69677533
Zn       7.65709000       2.14631000       1.01804000       0.26966734       0.12176843      -0.42287037
Zn       2.53906000      -0.46768000       3.85930000       0.52048378       0.09766354      -1.25069078
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.30889948 magmom=11.999586 free_energy=-96.30889948 stress="-0.02376690088698616 0.02065028772138728 0.002043480211541981 0.02065028772138728 -0.008134410557989837 -0.014945954877336331 0.002043480211541981 -0.014945954877336331 0.0013337413817291921" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46356000       0.95799000       6.17859000      -0.80696886      -0.93184909       1.60328490
Cr       2.98046000       1.24787000       1.26424000      -0.33049080      -2.18318382      -2.89034258
Cr      -0.33458000      -1.00064000       4.41809000       1.82248217       1.72043279       0.92575330
Cr       5.37516000       0.28282000       2.63043000      -0.31000421      -0.08402207       1.56714002
O        0.41823000      -0.89988000       6.42079000      -0.08053868       1.12204288      -0.01734241
O        4.56145000      -0.03622000       0.98256000       0.03663292       0.94947271      -2.70823891
O       -4.78046000      -0.19114000       5.88552000      -0.09386699      -0.73618886      -1.08694229
O        9.39733000       2.32916000       1.72717000      -0.52299172       1.64735848       1.10686154
O       -1.81361000       0.28215000       4.65144000      -1.66784809      -0.96437575      -0.17539115
O        6.31633000       2.04672000       2.45132000       1.18785737      -1.15426518       0.10988919
O        0.75570000       0.75855000       4.31082000       0.97504090       0.03220861      -0.51700541
O        3.74236000       1.43681000       2.92904000       0.25917905       0.15862120       3.26316626
Zn      -2.75073000      -0.98258000       6.12864000      -0.14782831       0.05399264       0.62754430
Zn       7.64145000       2.21660000       0.94576000      -0.23162845       0.23210779      -0.34254075
Zn       2.65531000      -0.51124000       3.94717000      -0.08902631       0.13764767      -1.46583602
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.43973356 magmom=12.000067 free_energy=-96.43973357 stress="-0.005063215044262367 -7.46331449651871e-05 0.00679483725368813 -7.46331449651871e-05 -0.00515195756375376 -0.011687223135642948 0.00679483725368813 -0.011687223135642948 0.032478352851021706" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38993000       1.07250000       6.20838000       0.55576034      -3.21385108       0.10369125
Cr       2.92202000       1.15692000       1.23677000       0.67587110       2.06194005      -0.26527363
Cr      -0.22353000      -0.93989000       4.42252000      -0.72354798      -0.67334671      -0.01792056
Cr       5.39710000       0.23566000       2.64441000      -0.16832061      -0.68013018       1.36213367
O        0.42634000      -0.76745000       6.34430000      -0.81851074       0.65506461       0.77263458
O        4.56213000      -0.01345000       0.84957000      -0.50724322       0.32404561       0.53705694
O       -4.67861000      -0.44700000       5.86393000      -1.07139353       1.52157424      -0.56320931
O        2.03141000      -0.36452000       1.80509000       0.27842062      -1.68311026       0.20451790
O       -1.86453000       0.05237000       4.67206000       0.08633964       1.43711569      -0.47760343
O        6.38436000       1.93622000       2.43262000       0.14921073      -0.21964146       0.26561188
O        0.80010000       0.75734000       4.21413000       0.80601205       0.37895540       0.49526450
O        3.73350000       1.42769000       3.16804000       0.38381406      -0.68841697      -1.51509900
Zn      -2.85580000      -1.00427000       6.19242000       0.95682180      -0.28656353      -0.05453606
Zn       7.61226000       2.30045000       0.85551000      -0.01112686       0.43635891       0.50830836
Zn       2.76510000      -0.54641000       3.95933000      -0.59210740       0.63000567      -1.35557709
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.41596703 magmom=12.0000254 free_energy=-96.41596703 stress="0.010429051343700646 -0.012875549831515804 0.005858486241868397 -0.012875549831515804 -0.0201509541213248 -0.014021613496508711 0.005858486241868397 -0.014021613496508711 0.003419542713876555" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.33201000       1.02248000       6.24033000       1.21088381      -0.35274986      -1.32466812
Cr       2.89328000       1.16965000       1.19247000       0.53212752       1.89833895       0.77095190
Cr      -0.15578000      -0.89942000       4.43251000      -0.82639099      -0.69827603      -0.43190212
Cr       5.42822000       0.14832000       2.74272000      -0.46820971      -1.15253664      -0.60324422
O        0.37091000      -0.58642000       6.38657000      -1.01826388      -2.21256317       0.26971561
O        4.43804000       0.08680000       0.80250000       1.06609884      -0.73808694       1.88655180
O       -4.79512000      -0.44586000       5.77379000       0.38312996       1.39302732       0.73488358
O        2.10439000      -0.40921000       1.89073000      -1.01383240      -0.97623064      -0.80803430
O       -1.86150000       0.08328000       4.59616000       0.60233817       0.88334922       1.00889666
O        6.43477000       1.76796000       2.50113000       0.55517148       1.12198403      -0.43368045
O        0.92595000       0.79458000       4.25462000      -0.78918429       0.06325998       0.33996415
O        3.80858000       1.28741000       3.12081000      -0.13538040       0.23202229      -0.86270058
Zn      -2.91550000      -1.04296000       6.24756000       0.03292566       0.01644736      -0.98596611
Zn       7.57998000       2.40836000       0.79748000       0.47765009       0.11355518       1.85973239
Zn       2.83972000      -0.54806000       3.89166000      -0.60906386       0.40845894      -1.42050018
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.14448874 magmom=11.9992225 free_energy=-96.14448874 stress="-0.0023189745885474353 0.02227271097750873 -6.64783885978921e-05 0.02227271097750873 -0.004302642230890803 -0.019895925496705387 -6.64783885978921e-05 -0.019895925496705387 -0.010053266169841741" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32476000       0.92944000       6.23094000       0.46539082       0.49837626       1.53890875
Cr       2.90882000       1.28614000       1.18672000       0.85177542      -2.24349066      -0.51895041
Cr      -0.14861000      -0.89088000       4.42173000      -0.62757754      -0.38822527       0.71619251
Cr       5.46672000      -0.00070000       2.82179000       0.80067785       0.99228535      -1.70146946
O        0.24708000      -0.75491000       6.47572000       0.83097143      -0.04388772      -0.34581828
O        4.45544000       0.03842000       1.00700000       1.14678078      -0.54660317      -2.16351271
O        2.94207000      -0.20561000       5.79715000       0.62677158      -0.72556044      -0.53655873
O        9.33219000       2.28888000       1.81121000      -1.07428772       1.79315291       0.11501965
O       -1.71145000       0.29370000       4.63301000      -1.00313793      -0.62271313       0.52254345
O        6.50536000       1.76091000       2.55170000      -0.18159654       0.25526931      -0.59657592
O        0.87498000       0.83250000       4.39531000       0.38917084       0.06559579      -1.42613628
O        3.87043000       1.18418000       2.88412000      -1.17991930       1.05656758       3.11911641
Zn      -2.96958000      -1.09028000       6.26363000      -0.29648364       0.37286285      -0.47645444
Zn       7.56787000       2.53815000       0.82857000       0.35283910      -0.44286765       1.42276555
Zn       2.87994000      -0.52416000       3.74622000      -1.10137514      -0.02076200       0.33092992
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.01899707 magmom=11.9979325 free_energy=-96.01899707 stress="-0.02040669601936561 0.027210796315471988 -0.0008316226143249438 0.027210796315471988 3.205237758016847e-05 -0.008446406665978484 -0.0008316226143249438 -0.008446406665978484 0.009386262054236563" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34895000       0.86645000       6.27736000       0.66086781       0.48487588      -1.57413779
Cr       2.95913000       1.28909000       1.17402000      -0.35534582      -2.48356649       0.37099039
Cr      -0.18563000      -0.90290000       4.44712000       0.35664045       0.35880903       1.16423390
Cr       5.54889000      -0.07960000       2.80203000      -1.38308043       2.79713711      -0.26780644
O        0.33028000      -0.93607000       6.53153000      -0.02962608       1.31442435      -0.39522427
O        4.64103000      -0.12271000       0.88140000       0.01056087       1.16005725       1.35982434
O        2.92977000      -0.11407000       5.73810000       1.06760259      -1.47654086      -0.43300674
O        9.24039000       2.36281000       1.69973000       2.23156449       0.75926294       0.46132345
O       -1.71433000       0.35712000       4.71439000      -1.33530649      -1.47987641      -0.63241093
O        6.50193000       1.80846000       2.55295000       0.58183252      -1.01516544      -0.37026520
O        0.83281000       0.86173000       4.36299000       0.52499153      -0.33471775      -0.54199962
O        3.75097000       1.27760000       3.09423000       1.01374994      -0.47369546      -0.44100359
Zn      -3.03886000      -1.12244000       6.25613000      -0.40567984       0.32854341       0.03766795
Zn       7.56524000       2.65126000       0.92501000      -0.75345994      -0.27837998      -0.41105677
Zn       2.85750000      -0.49897000       3.62107000      -2.18531160       0.33883241       1.67287133
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.42407488 magmom=12.0001805 free_energy=-96.42407488 stress="0.004690839956363443 -0.010760929554315464 0.001728066321812602 -0.010760929554315464 -0.02296624882194761 -5.055965674967363e-06 0.001728066321812602 -5.055965674967363e-06 0.028896440098397425" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42961000       0.82441000       6.24665000       2.07483452       0.84196785      -1.38101890
Cr       3.02068000       1.16173000       1.17644000       3.55158575       3.04682304      -0.02121295
Cr      -0.22619000      -0.91718000       4.53445000      -0.63458721      -1.04777251      -0.20498784
Cr       5.57672000      -0.00398000       2.75294000      -2.02793002       0.55083720       0.36412446
O        0.50375000      -0.84876000       6.51193000      -1.11168333      -0.24010937      -0.50430900
O        4.76487000      -0.11692000       0.90742000      -0.88398009       0.51619139      -0.10366126
O       -4.80396000      -0.30740000       5.61508000      -0.87446484      -0.27216746       0.52345669
O        2.23056000      -0.34903000       1.63517000      -2.72572780      -3.31049259       0.72272699
O       -1.89235000       0.15741000       4.65509000       1.17304428       0.43870098       0.78965188
O        6.52803000       1.72080000       2.56081000       0.83319937       0.62822460       0.02032320
O        0.82738000       0.81640000       4.26868000       0.02369659      -0.45324894       0.48778611
O        3.81737000       1.32851000       3.24691000       0.22775562      -0.47913396      -1.77226501
Zn      -3.13271000      -1.14034000       6.24685000       0.58654138       0.26983426       0.01320351
Zn       0.23434000      -0.15788000       1.01670000       0.08231927      -0.60600052      -0.37807087
Zn       2.72751000      -0.45593000       3.57338000      -0.29460348       0.11634604       1.44425300
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.86254604 magmom=12.0002049 free_energy=-96.86254604 stress="-0.016009654945028644 -0.0032933154069901154 0.0008990614962791997 -0.0032933154069901154 -0.02157611056809649 -0.006943753863069727 0.0008990614962791997 -0.006943753863069727 0.019481059425530224" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.58836000       0.82138000       6.13885000      -2.16910845      -0.72510911       0.55810459
Cr       3.21782000       1.15210000       1.18472000      -1.52889301       0.24347456      -0.49581539
Cr      -0.29088000      -0.98696000       4.60258000       1.10962253      -1.49671234      -0.47257923
Cr       5.51572000       0.10328000       2.73680000       0.69215902      -0.74498271       0.83318193
O        0.55570000      -0.78275000       6.44415000      -0.13725469      -1.19268892       0.62755910
O        4.71146000      -0.02050000       0.92802000       1.19856807      -0.39816792      -1.32504470
O       -4.85030000      -0.51640000       5.56824000       0.59032718       1.70590900      -0.76750571
O        9.51419000       2.35045000       1.64603000      -0.27189606       0.48055786       0.18022110
O       -1.85244000       0.03707000       4.66796000      -0.73084865       1.37311628       0.76885695
O        6.61900000       1.73656000       2.61174000      -0.46138148       0.79819067      -0.32898343
O        0.80251000       0.67964000       4.30297000       0.57380757       0.12106277      -0.05554782
O        3.95317000       1.28850000       3.03199000      -1.02542172      -0.11866028       0.30530959
Zn      -3.18411000      -1.14593000       6.24605000       2.00856610       0.53893062       0.69001440
Zn       0.20566000      -0.08693000       1.07860000       0.45154129      -0.49360840      -0.32714989
Zn       2.58098000      -0.40831000       3.59901000      -0.29978771      -0.09131207      -0.19062150
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.78035625 magmom=12.0002305 free_energy=-96.78035625 stress="-0.004938097671185292 0.013144762310589822 -0.008456823014453014 0.013144762310589822 -0.0013697901913611546 -0.016173825459430895 -0.008456823014453014 -0.016173825459430895 -0.009131758228187473" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60602000       0.79261000       6.08224000      -1.35949164      -0.16409617       0.95117186
Cr       3.30762000       1.18385000       1.13995000      -2.54359166      -0.73641973      -1.23751036
Cr      -0.30001000      -1.10116000       4.63169000       0.97556421       0.67999949      -0.00947118
Cr       5.50417000       0.14636000       2.76867000       0.71580744      -0.89441661       0.10485105
O        0.59846000      -0.92389000       6.46679000      -0.25679498       0.06251113      -0.22623661
O        4.80706000      -0.02015000       0.76732000       0.81019963      -0.22129045       0.92124743
O       -4.83783000      -0.43248000       5.44696000       1.14478490      -0.19954276       0.56051296
O        9.43512000       2.18263000       1.69364000       0.76766369       0.94154696      -0.16976391
O       -1.84169000       0.14308000       4.76219000      -0.64607075      -0.53415054      -0.10927547
O        6.56401000       1.86931000       2.64797000      -0.32433615      -0.28233891      -0.08860716
O        0.82664000       0.57526000       4.35536000      -0.76593545       0.48379850      -0.98953392
O        3.93980000       1.26105000       2.90290000      -0.32278166       0.74158259       1.70995477
Zn      -3.13723000      -1.12953000       6.27778000       0.95407621       0.72120947       0.34449038
Zn       0.20620000      -0.05232000       1.10907000       0.72726013      -0.36815763      -0.35704659
Zn       2.45518000      -0.37632000       3.60758000       0.12364609      -0.23023534      -1.40478326
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.30374782 magmom=11.9997805 free_energy=-96.30374782 stress="0.005809769203442867 0.015971562765173013 -0.0022908924536467683 0.015971562765173013 0.003431111051448942 -0.019055770676990273 -0.0022908924536467683 -0.019055770676990273 0.013634915218705456" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53965000       0.73483000       6.08309000       2.57139540       0.04778303      -0.15096651
Cr       3.24958000       1.17958000       1.04580000       0.82922661      -0.91429061       2.71173597
Cr      -0.26595000      -1.17953000       4.65305000      -1.35732853       1.87665524      -0.77653807
Cr       5.52118000       0.13924000       2.82419000      -2.37920328       0.32703692      -0.06471324
O       -7.23785000      -1.04432000       6.44091000      -1.08182466       1.01133962      -0.26667633
O        4.97632000      -0.11254000       0.74360000      -1.40549841       0.27848565       0.31613318
O       -4.67598000      -0.33495000       5.43351000      -1.61304444      -0.81680116       0.52683440
O        9.53060000       2.22369000       1.66779000      -0.29917408       1.02836738      -0.92748380
O       -1.89842000       0.18221000       4.79824000       0.17504072      -1.23832385       0.37450751
O        6.44194000       1.91575000       2.70044000       2.04305277      -0.95427231      -0.37371257
O        0.71191000       0.57036000       4.29250000       0.86481107       0.05520995      -0.23266146
O        3.88906000       1.36899000       2.99823000      -0.36395827      -0.56864827      -0.87256067
Zn      -3.03130000      -1.07709000       6.33195000       0.12858205       0.49459722      -0.28537740
Zn       0.24805000      -0.03710000       1.12069000       0.20991534      -0.67367710      -0.24078594
Zn       2.33984000      -0.35465000       3.54700000       1.67800771       0.04653829       0.26226492
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.18587565 magmom=11.9996271 free_energy=-96.18587565 stress="0.0012287567078696946 -0.020821502696339932 0.0038055714587543685 -0.020821502696339932 -0.03163063565032892 -0.007519452140042114 0.0038055714587543685 -0.007519452140042114 0.015573007704694627" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59095000       0.66392000       6.09085000      -0.60279715       1.94502425       0.27574905
Cr       3.21254000       1.11950000       1.07670000       2.06981581       2.26508693      -1.26435401
Cr      -0.31525000      -1.16655000       4.63068000       0.21586360       0.44742105      -0.36187382
Cr       5.41037000       0.12164000       2.90564000       0.44593185      -0.39898239      -1.53753580
O        0.52806000      -0.97530000       6.36231000       0.33069684      -0.33257867       1.00762054
O        4.82053000      -0.19586000       0.80823000       0.30512969       1.56043507      -0.12587488
O       -4.80526000      -0.41868000       5.58427000       0.70545780      -1.29625485      -0.54760137
O        9.64107000       2.50805000       1.41806000      -2.94966506      -2.98060878       1.77521411
O       -1.88003000      -0.00754000       4.83723000      -0.43097902       0.57246831       0.17966645
O        6.56532000       1.77754000       2.72976000      -1.18608551       0.23962807      -0.90248771
O        0.68104000       0.60439000       4.18544000       1.36361591      -0.17329175       0.36045957
O        3.78591000       1.41167000       2.92636000      -0.26270705      -1.40464253       1.15901119
Zn      -2.86576000      -0.96515000       6.39675000      -0.79226984       0.65012112      -0.38304172
Zn       0.32903000      -0.05571000       1.12010000      -0.45099506      -0.78640766      -0.03565342
Zn       2.27306000      -0.32425000       3.45978000       1.23898719      -0.30741817       0.40070184
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.32958519 magmom=12.000724 free_energy=-95.32958519 stress="-0.03859144459312285 0.0010804956005010258 0.006371851896642032 0.0010804956005010258 -0.04619786507872129 -0.008580480411164416 0.006371851896642032 -0.008580480411164416 0.0011998812334685642" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.63981000       0.66362000       6.11630000      -2.34247821      -1.17242308       0.19818912
Cr       3.25299000       1.14067000       1.07299000      -3.60068277       0.70179960      -1.06006956
Cr      -0.36750000      -1.12131000       4.57732000       3.07956115      -0.94083152       0.24329562
Cr       5.28578000       0.06883000       2.92554000       1.14953606      -1.10365279      -1.40207948
O        0.48353000      -0.90567000       6.41450000      -0.19956581      -0.90567179      -0.28666607
O        4.62928000      -0.04635000       0.83186000       2.91227937      -0.69855993       0.75541029
O       -4.91625000      -0.70025000       5.69686000       2.97762998       2.96529997      -1.07323030
O        9.40778000       2.43719000       1.38092000       2.87648626      -0.93152118       1.47639719
O       -1.89370000      -0.09112000       4.84375000      -0.82700434       1.84123096      -0.66251989
O        6.50991000       1.62134000       2.65343000      -1.32067904       0.70935312       0.19475892
O        0.84981000       0.62608000       4.19602000      -1.48657244       0.08584624       0.60647539
O        3.66401000       1.22274000       2.97820000       0.45301404       0.34360898       0.96020031
Zn      -2.70226000      -0.80047000       6.46147000      -1.49795582      -0.02516711       0.11148742
Zn       0.38909000      -0.11579000       1.11248000      -3.09983893       0.11951969      -0.58334202
Zn       2.26649000      -0.30722000       3.37679000       0.92627047      -0.98883115       0.52169306
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.96096438 magmom=11.9989657 free_energy=-95.96096438 stress="0.022724114243921942 0.003310687854970353 0.005705257305175127 0.003310687854970353 -3.46572589308376e-05 -0.024084672781414237 0.005705257305175127 -0.024084672781414237 -0.013702849707691853" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60181000       0.66208000       6.14041000       1.61909500       1.05217540      -0.18731454
Cr       3.16954000       1.19834000       1.02008000       1.42293322      -1.83132094       1.54946333
Cr      -0.29939000      -1.12120000       4.53803000      -0.88157553       0.29916403      -0.07408557
Cr       5.24746000      -0.02676000       2.87181000       0.66859360      -0.57687081      -0.05091243
O        0.47500000      -0.97847000       6.42680000       0.20174003      -0.26333340      -0.37131418
O        4.79400000      -0.00208000       0.90088000      -0.93495323      -0.94167935      -0.54389286
O       -4.69384000      -0.61824000       5.68644000      -0.88765280       0.34259195       0.29202105
O        9.51380000       2.15035000       1.56161000      -1.65873354       1.34589292      -1.08322421
O       -1.93224000       0.12268000       4.72965000       0.82916620      -0.57405186       1.14498896
O        6.25101000       1.62096000       2.64625000       1.47022354       1.25230516      -0.06862319
O        0.78449000       0.63935000       4.34494000       0.12181049      -0.62012846      -1.31984694
O        3.66462000       1.11541000       3.11937000      -0.23454563       0.86658525      -1.13586818
Zn      -2.62923000      -0.66461000       6.50980000      -1.51560573      -0.20404969      -1.67703994
Zn       0.31997000      -0.16647000       1.08778000      -0.75697394      -0.16456071       0.52962333
Zn       2.30549000      -0.33323000       3.34715000       0.53647831       0.01728053       2.99602538
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.58017326 magmom=11.9990303 free_energy=-96.58017326 stress="0.00011009567092042792 0.0065735759049717875 0.01408763935697045 0.0065735759049717875 -0.01784458489084951 -0.021081736352596768 0.01408763935697045 -0.021081736352596768 0.00621950338098455" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.65149000       0.71168000       6.13617000      -0.16149845       0.45083477      -0.04265169
Cr       3.15136000       1.15033000       1.04231000      -0.28254791      -2.43053509       0.36939915
Cr      -0.28956000      -1.10773000       4.50764000       0.28996204       0.64751060       0.78487675
Cr       5.27166000      -0.10469000       2.82508000       0.37328202       2.40147254       0.56960867
O       -7.29629000      -1.05778000       6.40528000      -0.07556817       0.65875970      -0.10099432
O        4.75880000      -0.17730000       0.88385000      -0.11845273       0.78601464      -0.20930349
O       -4.71856000      -0.46423000       5.73291000       0.06514688      -0.71293261      -0.55218034
O        9.43436000       2.13952000       1.54951000      -0.49977166       1.27510927       0.11441477
O       -1.81401000       0.19283000       4.75383000      -1.05867296      -1.71508263       0.49521616
O        6.25647000       1.77611000       2.66379000       1.76093847      -1.01365277      -0.93910521
O        0.75176000       0.55882000       4.30989000       1.19260772       0.51222994      -0.93433331
O        3.68020000       1.17682000       3.00988000      -0.50043347      -0.46683517      -0.00663071
Zn      -2.64226000      -0.57182000       6.47505000      -1.04096750      -0.32279545      -1.41325479
Zn       0.20803000      -0.20529000       1.08633000      -0.35167136       0.14334929       0.76003743
Zn       2.36475000      -0.36042000       3.45657000       0.40764708      -0.21344705       1.10490093
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.615565 magmom=11.9998071 free_energy=-96.61559039 stress="-0.006123018250697969 0.009205550186243238 0.026847559358669178 0.009205550186243238 -0.01835127501443566 -0.01212221692531141 0.026847559358669178 -0.01212221692531141 0.0048938457272488" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.70045000       0.79084000       6.12722000      -1.96750507      -0.97714223       0.28779264
Cr       3.12453000       0.96885000       1.06911000      -2.00567289       0.79176102      -1.34314704
Cr      -0.27771000      -1.07272000       4.52084000       2.51112445      -1.13001073       0.54592964
Cr       5.34337000      -0.06768000       2.79900000       0.41660894       0.82617067      -0.67330592
O        0.66732000      -0.99941000       6.37425000      -1.24439308       0.37498681      -0.47201938
O       11.93171000       2.66672000       0.82372000       1.43380046       0.74932689       0.87406534
O       -4.80265000      -0.46097000       5.69646000       2.14022064       0.08749394      -1.08295551
O        9.29606000       2.36750000       1.52425000       1.15582626      -0.77918335       0.63718621
O       -1.78796000       0.01458000       4.81059000      -0.62799871       1.23845190      -1.36150491
O        6.48825000       1.78867000       2.58732000      -1.64447356      -0.91971449       0.65858496
O        0.88669000       0.56735000       4.16917000      -1.04401407       0.91518890       0.76479588
O        3.67259000       1.20459000       2.89000000       0.83438913      -0.39311127       1.89101912
Zn      -2.71305000      -0.50742000       6.37653000      -1.22015263      -0.55249301       0.61607680
Zn       0.07679000      -0.22722000       1.11637000       0.52622919       0.56544275      -0.55555475
Zn       2.44850000      -0.40088000       3.62707000       0.73601096      -0.79716779      -0.78696309
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.81112311 magmom=11.9999234 free_energy=-96.81112311 stress="0.009681309681235364 -0.008118119364084532 0.014342079588283057 -0.008118119364084532 -0.00929556541186049 -0.00739712763632907 0.014342079588283057 -0.00739712763632907 0.00915849976182601" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.65332000       0.81942000       6.13383000       0.26082721      -0.45399925      -0.03335202
Cr       3.02922000       0.86589000       1.03293000       1.25614868       3.94626887       0.82046502
Cr      -0.17345000      -1.09065000       4.55636000      -1.07770861      -0.18235195      -1.30911376
Cr       5.43034000       0.00897000       2.74927000      -1.44643435      -1.22318499       0.09952390
O        0.60338000      -0.88507000       6.31926000      -0.07063398      -0.45076975       0.99276123
O        4.67890000      -0.15960000       0.84971000       0.25564635      -0.44203044      -0.51494513
O       -4.64365000      -0.48742000       5.55600000      -1.08471113       0.32278252       0.98286319
O        9.35602000       2.38800000       1.61792000      -0.97325228      -2.43985902       0.70533132
O       -1.79223000       0.03333000       4.64023000       0.35208357       0.67153971       1.17626944
O        6.43564000       1.65029000       2.62620000       0.81245006       0.98728447      -0.54872613
O        0.86510000       0.71248000       4.21701000       0.44220031      -0.73435805       0.27673425
O        3.79562000       1.15985000       2.99808000      -0.39264797      -0.01509200      -0.40623223
Zn      -2.82469000      -0.48317000       6.30702000       0.08610002      -0.16734591       0.03648515
Zn      -0.01850000      -0.21477000       1.12457000       0.92100372       0.06678142      -0.35553588
Zn       2.55634000      -0.46839000       3.73576000       0.65892841       0.11433436      -1.92252833
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.95358619 magmom=11.9996849 free_energy=-96.95358619 stress="0.004019229887891272 0.008216718618342231 0.006563379151512832 0.008216718618342231 0.0025592505138120163 -0.013264280020131974 0.006563379151512832 -0.013264280020131974 0.0012054432607034582" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60797000       0.81651000       6.14595000      -0.16300586      -0.48318033       0.84762817
Cr       2.99992000       0.96489000       1.05843000       0.63025988       0.05421081       1.85141780
Cr      -0.13748000      -1.11456000       4.53016000      -0.81576813       1.57029429      -0.15687320
Cr       5.44521000       0.01545000       2.70825000      -0.45164829      -0.99569827       0.50239677
O        0.54719000      -0.87595000       6.42335000      -0.17531966      -0.52129586      -0.59646457
O        4.70233000      -0.14064000       0.80650000      -0.31725463      -0.43225671       0.72561131
O       -4.73353000      -0.46382000       5.62578000      -0.57979509       0.36293989       0.16560035
O        9.37440000       2.07272000       1.76423000       0.30466158       1.21113746      -0.58893963
O       -1.70358000       0.18035000       4.62976000      -0.94889432      -1.35216045       0.86934849
O        6.45001000       1.68079000       2.60111000       0.75279254       0.64033382      -0.54322100
O        0.89375000       0.70764000       4.35561000       0.54052097      -0.90019612      -1.14289653
O        3.86591000       1.11517000       2.99617000      -0.90305923       0.61103735      -0.15203184
Zn      -2.92224000      -0.47737000       6.25250000       0.97773296       0.14295558       0.32087360
Zn      -0.06029000      -0.18622000       1.10830000       1.20462932       0.13435550      -0.55100937
Zn       2.69071000      -0.53211000       3.73758000      -0.05585205      -0.04247696      -1.55144035
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.07160926 magmom=12.0010106 free_energy=-96.07161074 stress="-0.028309807683594933 0.02671671145009383 0.017701469358502326 0.02671671145009383 -0.01682153527901485 -0.013028658681573492 0.017701469358502326 -0.013028658681573492 -0.005809333352619098" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53020000       0.78685000       6.21500000      -1.75226134      -0.33462821       0.23215245
Cr       3.02106000       1.09096000       1.18477000       0.98192829      -3.07813413      -2.35866856
Cr      -0.16673000      -1.06582000       4.48796000       1.01114544      -0.38697273       1.20606646
Cr       5.43475000      -0.03774000       2.68933000       0.91684146       0.88942141       0.61928213
O        0.49865000      -0.98376000       6.48879000      -0.70847370       0.31259167      -0.64983456
O        4.61233000      -0.21222000       0.87750000       0.87571728       0.75731551       0.67190947
O       -4.97171000      -0.41502000       5.77931000       3.07327109      -0.86708186      -1.27847572
O        9.45496000       1.97082000       1.79853000      -2.18240527       2.62464806       0.21107264
O       -1.71322000       0.13045000       4.78053000      -0.85106502      -0.31321671      -1.26942705
O        6.55674000       1.83232000       2.52462000      -1.26108632      -1.23275445       0.83681467
O        0.99539000       0.52741000       4.34599000      -0.75438298       0.94735132      -0.82660703
O        3.82347000       1.17045000       2.93114000       0.92235107      -0.01836874       1.87939030
Zn      -2.98133000      -0.46878000       6.20898000       0.18862934       0.08073453       0.70304487
Zn      -0.03970000      -0.13032000       1.04959000       1.33170044       0.62835667      -1.11734475
Zn       2.84004000      -0.60713000       3.65380000      -1.79190978      -0.00926233       1.14062469
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.40752397 magmom=12.0001722 free_energy=-96.40752397 stress="-0.010878878285776569 0.00643035659505237 0.003261862108180377 0.00643035659505237 -0.013615719451147293 -0.015451302808075528 0.003261862108180377 -0.015451302808075528 0.021479834403535444" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36953000       0.71677000       6.29849000       2.27802607      -0.31922340      -2.18359719
Cr       3.06635000       1.08077000       1.23799000      -1.93477401      -0.89360024       0.14664684
Cr      -0.17146000      -1.02240000       4.50149000      -0.57766969      -2.29907427      -0.19560695
Cr       5.49637000      -0.04621000       2.72134000       0.17266529       1.60050235       1.90884771
O        0.37585000      -1.04661000       6.47055000       0.04205845       0.66503933       0.68302886
O        4.59269000      -0.17043000       1.01698000       0.37430230       0.48802554      -1.87763047
O       -4.85859000      -0.51681000       5.76487000      -1.64469048      -0.33161115      -0.44169034
O        9.33166000       2.32741000       1.75147000       1.01498132       0.07204565      -0.35161360
O       -1.82564000      -0.01918000       4.69690000       0.38271004       1.12341576      -0.16169514
O        6.43870000       1.76323000       2.60837000       1.40557445      -0.76324865      -1.01749968
O        0.94343000       0.49080000       4.24911000      -0.13951503       1.55578887       0.99204440
O        3.92217000       1.22452000       3.10410000      -0.55214174      -0.99879708      -0.32372578
Zn      -3.02782000      -0.45883000       6.19803000       0.81500674      -0.19519447       0.53615262
Zn       0.05600000      -0.02543000       0.92749000       0.77679843      -0.13433378       0.51763952
Zn       2.91963000      -0.69386000       3.60865000      -2.41333215       0.43026556       1.76869921
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.99669547 magmom=11.9999387 free_energy=-95.99669547 stress="-0.012144811843705566 -0.027429169973817658 -0.0008800422885311897 -0.027429169973817658 -0.04358554815581541 -0.010538499938645467 -0.0008800422885311897 -0.010538499938645467 0.0026236536567991347" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.31798000       0.63940000       6.26246000       1.55463778       0.72221110      -0.90974564
Cr       3.04763000       1.04299000       1.26601000       2.40236120       3.85897199      -1.41153665
Cr      -0.20385000      -1.08611000       4.50886000      -0.26655215      -0.45472223       0.10797350
Cr       5.57623000       0.00704000       2.82165000      -1.91057013      -1.68477769      -2.21227760
O        0.31627000      -0.99604000       6.53943000      -0.30739568      -0.56018377       0.01347545
O        4.61385000      -0.04839000       0.89452000       0.27695448      -0.86539469       0.94709344
O       -4.98014000      -0.69622000       5.67075000       0.54610049       1.20677143       0.23365963
O        1.99390000      -0.29067000       1.66416000      -1.49417108      -3.85214046       1.54740098
O       -1.80810000       0.02180000       4.60540000       0.15480075       0.67879214       2.51751216
O        6.49645000       1.60652000       2.58334000       1.36606678       1.72026644      -0.58580880
O        0.77992000       0.66976000       4.35560000       0.33425884      -0.87776146      -0.53156852
O        3.95536000       1.12085000       3.21321000      -1.13727875       0.15671379      -0.87894825
Zn      -3.04525000      -0.46296000       6.21136000      -0.43749746      -0.21243776      -0.46227984
Zn       0.19165000       0.08436000       0.82429000       0.21861315      -0.12623495       0.66681652
Zn       2.88151000      -0.76050000       3.65253000      -1.30032823       0.28992611       0.95823363
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.35505979 magmom=11.9951837 free_energy=-96.35505979 stress="0.01126784731822246 -0.009634357947560434 -0.006441065339504923 -0.009634357947560434 -0.0140601261980417 -0.013202983088991533 -0.006441065339504923 -0.013202983088991533 0.009041419605016372" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.36124000       0.61351000       6.18147000      -0.38790428       0.74857158       1.40120367
Cr       3.10800000       1.14797000       1.22970000      -1.49568323      -1.19125593       0.40516189
Cr      -0.25813000      -1.15664000       4.51599000       0.30597706       2.20087168       0.96665833
Cr       5.57749000       0.00024000       2.81884000      -0.33479020      -0.37240175      -0.98961878
O        0.31142000      -1.00528000       6.60831000       0.18207607      -0.32963674      -0.94352082
O        4.62640000      -0.09524000       0.90203000       0.86753832      -0.10437635       0.53943027
O       -5.07352000      -0.64836000       5.65408000       1.78367796       0.81805979       0.29419100
O        9.22791000       2.38110000       1.79107000       1.70833258       0.02777910      -0.41993670
O       -1.76499000       0.15403000       4.81131000      -1.54287113      -1.59169699      -1.09423530
O        6.67481000       1.67482000       2.53809000      -1.93803757      -0.03026670       0.61537494
O        0.68141000       0.64360000       4.40884000       1.26458287      -1.23940265      -1.33309781
O        3.82521000       1.04253000       3.10454000       0.65097471       0.93832603       0.29876535
Zn      -3.07104000      -0.47999000       6.21293000      -0.47714484       0.03882369      -0.01053757
Zn       0.32121000       0.18008000       0.76465000       0.43484962      -0.07267492       1.07912121
Zn       2.77626000      -0.80280000       3.72903000      -1.02157794       0.15928016      -0.80895968
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.71023158 magmom=11.9996463 free_energy=-96.71023158 stress="-0.02133017688333004 0.004440726332935391 -0.0026191434486821344 0.004440726332935391 -0.010313954576211976 -0.007439228912258511 -0.0026191434486821344 -0.007439228912258511 0.00021451680516245867" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.39558000       0.64102000       6.17087000       0.66023980       0.90062105       1.10847245
Cr       3.10782000       1.18019000       1.21155000       1.00524245      -2.97448084       0.45059327
Cr      -0.30757000      -1.13621000       4.56470000      -0.59364979      -1.10662507       0.34215536
Cr       5.55312000      -0.02496000       2.74990000      -2.05646337       0.47986405       0.96250253
O        0.40504000      -1.05179000       6.52138000      -0.08466006       0.14823352      -0.29049616
O        4.71536000      -0.17632000       0.98050000       0.01158426       0.92303655      -2.02135127
O       -4.91749000      -0.46459000       5.72247000      -0.88855785      -1.12222528      -0.63525828
O        9.46159000       2.12749000       1.81842000      -1.50582835       1.35262533      -0.75909219
O       -1.89874000       0.06331000       4.78818000       0.51442205      -0.06093285      -0.66442395
O        6.46905000       1.73586000       2.67844000       1.00163510      -0.78255432      -0.60678822
O        0.77158000       0.42019000       4.30250000       0.50833959       1.60232983       0.16372656
O        3.81689000       1.14067000       3.01365000       0.17420233       0.42338404       0.95239709
Zn      -3.11466000      -0.49842000       6.21826000       0.86311895       0.17368137       0.69540502
Zn       0.46386000       0.26983000       0.76288000       0.16860414      -0.22654296       0.75043401
Zn       2.63177000      -0.83161000       3.76265000       0.22177074       0.26958558      -0.44827622
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.68691238 magmom=11.9998312 free_energy=-96.68691238 stress="-0.03467523051376185 0.006348348183311601 -0.005252350465455 0.006348348183311601 -0.024447363287851565 -0.0019910438453453186 -0.005252350465455 -0.0019910438453453186 -0.011795008717930234" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46311000       0.71025000       6.21277000       0.50888201      -0.43568279      -1.59717995
Cr       3.16657000       1.05488000       1.21780000       0.80563128      -0.45911416      -1.01753826
Cr      -0.37923000      -1.15550000       4.61345000       0.99908821      -0.98285700      -1.08653271
Cr       5.44143000      -0.02277000       2.71954000       0.07517361       0.41788136       0.79892118
O        0.51263000      -1.03497000       6.41417000      -1.40445383       0.29908161       1.40084382
O        4.74376000      -0.14286000       0.79567000      -0.37099984      -0.16864446       1.57386889
O       -4.93494000      -0.48645000       5.70257000       0.69171316      -0.46380131      -0.06416296
O        9.47890000       2.14438000       1.68003000      -0.61246057       0.93098133       0.02456241
O       -1.91909000      -0.04061000       4.63653000      -0.46385304       1.07576406       1.72035951
O        6.35452000       1.65306000       2.75590000       1.52996761       0.43726847      -1.43584703
O        0.88773000       0.43504000       4.27267000      -0.92730987       0.33964097       0.26490465
O        3.82874000       1.30040000       3.03484000      -1.18579802      -1.30812697      -0.07600810
Zn      -3.11458000      -0.51028000       6.25690000       0.63117216       0.27899425       0.31351103
Zn       0.60704000       0.34584000       0.79826000      -0.58392896      -0.28488933      -0.02367456
Zn       2.50232000      -0.84569000       3.76617000       0.30717609       0.32350399      -0.79602792
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.43155614 magmom=11.9968062 free_energy=-96.43155614 stress="-0.02441670077576506 -0.011583134336795836 -0.00923160784396836 -0.011583134336795836 -0.03630915329481757 0.008500808801715852 -0.00923160784396836 0.008500808801715852 -0.008703942910511854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54492000       0.74646000       6.18023000      -1.76452626      -1.75221811       0.15960519
Cr       3.26880000       0.90574000       1.16305000      -2.61586236       3.03775054      -0.51121284
Cr      -0.41709000      -1.22436000       4.59857000       1.51466591       0.94335717      -0.58033015
Cr       5.34951000       0.00338000       2.75509000       1.58368160      -0.59190564       0.77199208
O        0.45030000      -0.96904000       6.51734000       0.26132857      -0.46074834      -0.52735198
O        4.69226000      -0.17408000       0.84831000       2.10647855      -1.22065797       0.37010272
O       -4.91231000      -0.57545000       5.66995000       0.99527260       1.26155864      -0.29428379
O        9.38008000       2.34169000       1.57757000       1.18223261      -1.75021937       1.37569165
O       -1.92716000       0.03945000       4.71519000      -0.57961598      -0.62630767       0.08869791
O        6.45253000       1.60788000       2.62270000      -0.90885652       0.61854359       0.54403466
O        0.80778000       0.51242000       4.34255000      -0.71143202      -0.31006179      -0.17800998
O        3.67184000       1.24473000       3.01678000       0.40417132      -0.54904934       0.59040996
Zn      -3.07106000      -0.51209000       6.32175000       0.27546246       0.24529786       0.48479287
Zn       0.71286000       0.41491000       0.82585000      -2.29560892       0.49201950      -1.08719695
Zn       2.39228000      -0.83802000       3.72228000       0.55260845       0.66264092      -1.20694136
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.13161433 magmom=11.9995149 free_energy=-96.13161433 stress="-0.0010314353227641355 -0.007935137727607016 -0.013280529776658192 -0.007935137727607016 -0.010198799662824292 0.0010214861637306949 -0.013280529776658192 0.0010214861637306949 -0.023111091136451066" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54665000       0.69263000       6.12697000       0.03050797       0.07292818       1.04009961
Cr       3.26914000       0.89622000       1.08424000       0.54626366       0.63134635       3.09752752
Cr       6.90544000       1.66340000       4.53726000      -1.08342136       1.80193813       0.98452533
Cr       5.36517000      -0.00043000       2.85082000      -0.81784760      -1.33498163       0.57581248
O        0.46163000      -0.98307000       6.53015000       0.51403362      -0.37044236      -1.31864910
O       12.15921000       2.54874000       1.02293000      -0.81712895       1.11347311      -2.49369889
O       -4.80010000      -0.49932000       5.62354000      -1.21218786      -0.59458469      -0.11743214
O        9.47673000       2.26075000       1.69490000      -0.88757444      -0.90782731      -1.44255057
O       -1.96988000       0.06204000       4.80353000       0.22941516      -0.75234423      -0.29447223
O        6.33334000       1.66430000       2.63575000       0.47495124       0.07338851       0.76327417
O        0.58409000       0.53332000       4.42127000       2.07273821      -0.31778221      -1.35238576
O        3.58777000       1.03803000       3.04421000       0.75682005       0.34902796       0.13345507
Zn      -3.00421000      -0.50260000       6.42123000      -0.52424074       0.47876798      -0.49759630
Zn       0.72056000       0.51157000       0.80514000      -0.78437934      -0.56061044       0.29552093
Zn       2.30548000      -0.79244000       3.60718000       1.50205036       0.31770266       0.62656988
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.65949807 magmom=11.9999372 free_energy=-95.65949807 stress="-0.058741320368915974 0.02856243537441587 -0.013940628661057042 0.02856243537441587 -0.041701012698986455 -0.011238430211900893 -0.013940628661057042 -0.011238430211900893 -0.03931241797708299" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53698000       0.61917000       6.10988000       0.48860010       0.84203117      -0.28116364
Cr       3.29597000       0.94299000       1.14780000       0.80399540      -1.36770073      -0.83948471
Cr      -0.40708000      -1.17950000       4.52993000       1.65444741      -0.53476870       2.81084489
Cr       5.34931000      -0.07967000       2.97718000      -1.55020424      -0.52356151      -1.25946505
O       -7.23962000      -1.08049000       6.37489000      -1.93604004      -0.00536297       1.58946251
O       12.17596000       2.52855000       0.84788000      -0.59702910       1.11192818       0.63961368
O       -4.91640000      -0.52215000       5.56541000       1.69423565      -1.09408791      -0.00300749
O        9.48220000       1.96705000       1.57183000       0.56663483       1.87547473       0.25880462
O       -1.93351000      -0.03552000       4.81519000      -0.36734349       0.76044725       1.19052874
O        6.19983000       1.66627000       2.85036000       1.58611682      -1.34964411      -2.54354213
O        0.65938000       0.50862000       4.27349000       0.73241831       0.08067820      -0.95114376
O        3.68119000       0.85852000       3.06384000      -0.89489091       1.35289641      -0.15804835
Zn      -2.96157000      -0.46340000       6.50855000      -2.43207165       1.00519857      -2.41726419
Zn       8.53811000       0.60007000       0.78734000      -0.53180217      -2.37606330       0.49369991
Zn       2.28098000      -0.71282000       3.50719000       0.78293308       0.22253471       1.47016498
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.79913596 magmom=11.9998362 free_energy=-95.79913596 stress="-0.045676739411825026 0.027148012669340783 -0.007842213534314482 0.027148012669340783 -0.027137249492687143 0.0026102687217541506 -0.007842213534314482 0.0026102687217541506 -0.004968111016390634" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55647000       0.57114000       6.07394000       0.00952524      -0.50514887      -0.47009025
Cr       3.37515000       0.93809000       1.17962000      -2.23471540       0.15555236      -2.65270342
Cr      -0.35909000      -1.12038000       4.65519000       0.91448278      -1.64040708      -1.48126105
Cr      -2.58159000      -0.20749000       3.05816000       1.88074335      -0.30210805      -0.85436029
O       -7.32144000      -1.16656000       6.43479000      -0.15115203       0.53177394      -0.29063781
O       12.01891000       2.68165000       0.72188000       2.46591350      -1.28618516       1.27225514
O       -4.84804000      -0.73383000       5.55104000       0.74780869       1.02129580       0.27370947
O        9.59357000       2.01407000       1.42213000      -0.57760393       1.12717515       1.05919950
O       -1.88681000      -0.00675000       4.92380000      -0.18058298       0.57313889      -0.16153923
O        6.27457000       1.44162000       2.79266000      -0.27663165       0.76468836       0.50090810
O        0.87549000       0.47325000       4.00263000      -1.95507820       0.54685301       1.94517956
O        3.68995000       0.91671000       3.04070000      -0.11234811       0.67344597       1.15672963
Zn      -3.04325000      -0.36848000       6.48912000      -1.82931826       0.42364591      -1.04325743
Zn       8.46437000       0.57177000       0.79431000       0.17065357      -1.11978766       0.77664440
Zn       2.30614000      -0.61649000       3.47473000       1.12830344      -0.96393257      -0.03077633
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.03094055 magmom=11.999372 free_energy=-96.03094055 stress="-0.01398612084903043 -0.04098029405597978 -0.016385218595245655 -0.04098029405597978 -0.026967846490248824 0.011815695557052532 -0.016385218595245655 0.011815695557052532 0.005450342157433135" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.58648000       0.51740000       6.03319000      -0.19371073       0.01826373       1.10583519
Cr       3.36534000       0.94138000       1.08059000       0.01550162       0.95480987       0.44602823
Cr      -0.28785000      -1.15614000       4.70235000      -0.99346729      -0.84303511      -2.72493408
Cr      -2.52840000      -0.31825000       3.09255000       1.49078593       1.96528843      -0.89228360
O       -7.39370000      -1.14119000       6.45411000       1.61445592       0.15828157       0.11253968
O       12.17366000       2.62907000       0.77259000       0.06534676      -0.00407190      -0.00874481
O       -4.74964000      -0.79994000       5.59195000      -1.63468940       0.89167553      -0.87486948
O        9.63694000       2.29800000       1.49931000      -1.58040818      -1.57678760      -0.21425010
O       -1.81073000       0.09519000       4.94550000      -0.72130673      -1.25762943       0.42468744
O        6.26731000       1.34598000       2.81019000       0.50600683       1.33333277       0.41205719
O        0.76871000       0.51538000       4.11132000       0.40814043       0.04398318       1.04777482
O        3.67006000       1.06668000       3.11077000      -0.55755192      -1.58768392      -0.29839649
Zn      -3.20019000      -0.25642000       6.42023000       1.09892278       0.29376572       0.52780545
Zn       8.39598000       0.47175000       0.82839000       0.09134834      -0.02319842       0.26288676
Zn       2.37575000      -0.56709000       3.45649000       0.39062564      -0.36699441       0.67386379
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.99672454 magmom=11.9979291 free_energy=-95.99672454 stress="-0.04108895869241235 -0.00846785426392361 -0.004051399493495842 -0.00846785426392361 -0.048925782789702284 -0.0024738056394937005 -0.004051399493495842 -0.0024738056394937005 -0.0334741872860563" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60746000       0.49229000       6.06360000      -0.54991161       2.43752368       1.31630571
Cr       3.34139000       0.98523000       1.02027000      -0.06261645      -1.00704514       2.05642883
Cr      -0.28943000      -1.23885000       4.62556000       0.41787871       0.28527183       2.13078799
Cr      -2.40379000      -0.30849000       3.07593000      -2.55312629       1.92051751      -1.23315624
O       -7.19268000      -1.09697000       6.44162000      -1.39527754      -1.01820729       0.30071420
O       12.28865000       2.53933000       0.81496000      -0.83366641       1.05711029       0.60524372
O       -4.94485000      -0.70251000       5.49804000       2.27269988      -0.18132152      -0.70660755
O        9.42218000       2.30747000       1.51439000       0.20976353      -0.88824888      -0.29149971
O       -1.80971000      -0.02219000       4.95219000      -0.97887274      -0.35953037       0.21002394
O        6.30403000       1.46976000       2.91648000       1.55280229      -1.01300720      -1.84848773
O        0.69702000       0.53739000       4.39475000       0.87735847      -1.09881871      -2.42960143
O        3.65474000       1.00790000       3.08029000       0.77064907       0.20686671      -0.52983469
Zn      -3.29681000      -0.15028000       6.38111000       0.47529912      -0.29639517       0.04372567
Zn       0.48840000       0.38516000       0.86807000      -0.20418151       0.39674355      -0.21469782
Zn       2.45981000      -0.55112000       3.47643000       0.00120146      -0.44145930       0.59065510
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.68273411 magmom=11.9996784 free_energy=-96.68273411 stress="-0.00011343266880854489 0.005620913252062853 -0.007589247441351755 0.005620913252062853 -0.002695710387936776 -0.0017521129590558561 -0.007589247441351755 -0.0017521129590558561 -0.020449519288104696" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60698000       0.58200000       6.14587000       0.35294408      -0.18453426      -1.45690288
Cr       3.32399000       0.97505000       1.07844000      -1.70214093      -1.09587317       0.95924280
Cr       7.01594000       1.59713000       4.64434000       0.39720069      -0.50591460       0.57540093
Cr      -2.38067000      -0.20026000       2.98367000       0.09419344      -0.18798029      -1.32676572
O       -7.17624000      -1.16386000       6.49234000      -1.10141009       0.62564729      -0.36186280
O       12.14289000       2.62237000       0.93047000       0.41669596       0.49371855      -0.50232213
O       -4.87557000      -0.63057000       5.35458000       0.15251600      -0.47210428       1.56235240
O        9.27135000       2.11093000       1.48490000       1.80699509      -0.08316206       0.71150741
O       -1.91931000      -0.20443000       4.91807000       0.63107142       0.84911828      -0.49205861
O        6.50255000       1.48465000       2.78777000      -0.74997320      -0.01908088      -0.03508045
O        0.76396000       0.37130000       4.33492000       0.06801536       0.24629521      -0.06730993
O        3.79323000       0.98992000       2.94033000      -0.10392340       0.22432410       1.27037560
Zn      -3.35123000      -0.06173000       6.35608000       0.88382785      -0.20294661       0.25877808
Zn       0.43632000       0.32891000       0.89238000      -0.45954120       0.51984329       0.00751473
Zn       2.53711000      -0.55822000       3.51429000      -0.68647108      -0.20735057      -1.10286943
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.52799245 magmom=12.0000987 free_energy=-96.52799245 stress="-0.015915483554658046 0.008125556540389134 -0.012057184007811982 0.008125556540389134 -0.0057384847904029535 0.00044024588852619963 -0.012057184007811982 0.00044024588852619963 0.01067456542429158" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60485000       0.67293000       6.15361000      -1.23937290      -2.06553925      -0.38334587
Cr       3.22073000       0.91454000       1.18907000      -0.49577084       0.26007514      -0.90666008
Cr       7.04105000       1.50112000       4.69439000      -0.21439594       0.11195768      -1.74990177
Cr       5.51101000      -0.09924000       2.81745000       0.74295538      -1.83909298      -0.00122672
O       -7.31075000      -1.13532000       6.50838000       0.40965265       0.31231499       0.08864014
O        4.71091000      -0.19073000       0.93706000       1.44394957      -1.41114789      -1.09994409
O       -4.81224000      -0.67933000       5.46644000      -0.83538847       0.47011053      -0.06640218
O        9.45066000       1.89481000       1.59514000      -0.46418959       1.08883984       0.31724520
O       -1.87124000      -0.21802000       4.74832000       0.14460024       0.59144782       0.98314277
O        6.53749000       1.46551000       2.67508000       0.41865806       1.03107207       0.05748616
O        0.81679000       0.22956000       4.27810000       0.35551906       1.14622644       0.79370485
O        3.93163000       1.04393000       2.99833000      -1.59655704       0.01487069       0.84882465
Zn      -3.35221000       0.02050000       6.34669000       1.80504818      -0.03760462      -0.07560560
Zn       0.36930000       0.30194000       0.91787000      -0.10498250       0.44054551       0.72413530
Zn       2.58236000      -0.57901000       3.50537000      -0.36972588      -0.11407597       0.46990724
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.24323849 magmom=12.0001663 free_energy=-96.24323849 stress="-0.006508530148688087 -0.00019696847769656332 -0.016009006302434247 -0.00019696847769656332 -0.014084034592099325 -0.005366338934409696 -0.016009006302434247 -0.005366338934409696 0.0041673107404763855" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52705000       0.63743000       6.13356000      -0.41779134      -1.07724804       1.27270599
Cr       3.12697000       0.85054000       1.22960000       2.41090484      -0.43823529      -1.38388316
Cr       7.06197000       1.43695000       4.64748000       1.24701746       3.08127306      -0.69140800
Cr       5.58738000      -0.09137000       2.65204000      -1.29655914      -1.05734504       1.58577536
O       -7.35667000      -1.06649000       6.51287000      -0.54504090      -0.87096354       0.23867988
O       12.05816000       2.57729000       0.80046000      -0.25994936       0.12320289       1.63863165
O       -4.92246000      -0.64549000       5.61385000       1.40229861       0.82484037      -0.40774142
O        9.51828000       1.90409000       1.74943000      -1.81880683       0.91075203      -1.39388281
O       -1.74861000      -0.12522000       4.68351000      -1.68668136      -1.40876923       0.59116269
O        6.55697000       1.57636000       2.62411000       0.74866899      -0.04688530      -0.72539039
O        0.87440000       0.30369000       4.39383000      -0.64072654       0.28298540      -1.63718038
O        3.85153000       1.08542000       3.17006000       0.32427304      -0.34923459      -1.52740954
Zn      -3.26832000       0.10060000       6.33220000       0.34044495      -0.69789098      -0.97980950
Zn       0.29987000       0.30102000       0.98011000       0.01419865       0.59588193       0.77467805
Zn       2.60768000      -0.60410000       3.52665000       0.17774892       0.12763634       2.64507159
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.62935469 magmom=12.0010004 free_energy=-96.62941732 stress="0.007800278444807026 0.016709815973117964 -0.010272421839348813 0.016709815973117964 0.01781552959232895 -0.006492946585879928 -0.010272421839348813 -0.006492946585879928 0.017922307751352753" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41551000       0.52491000       6.18702000       1.18376523       1.16005034       0.26367294
Cr       3.15805000       0.76168000       1.18850000      -1.32158568       0.41131867       0.24252796
Cr       7.11198000       1.52993000       4.54005000      -1.73757502       1.41434508      -0.02997939
Cr      -2.24175000      -0.15564000       2.56864000      -1.14488470       0.16561448       2.75837684
O       -7.43201000      -1.16563000       6.52419000      -0.14708971      -0.23707149      -0.70620318
O       12.02726000       2.42441000       0.89656000      -0.27987716       0.98550632      -0.99910159
O       -4.89946000      -0.49846000       5.70560000      -0.15993011      -1.38516711      -0.59687200
O        9.28840000       2.10399000       1.66788000       1.25793828      -0.44245165       0.30294611
O       -1.79594000      -0.16105000       4.70595000       0.17496529       0.58001248      -0.75923861
O        6.63945000       1.65885000       2.49858000      -0.16816884      -1.28622945       0.17070782
O        0.82226000       0.47603000       4.31816000       0.81435844      -0.94102472      -0.37256318
O        3.80496000       1.05642000       3.02822000       0.71740689      -0.26159108      -0.18505182
Zn      -3.14351000       0.15922000       6.27206000       0.33817209      -0.37320854       0.05926639
Zn       0.22810000       0.33343000       1.08781000       0.33473016       0.36077077      -0.28049702
Zn       2.64672000      -0.62756000       3.67067000       0.13777487      -0.15087411       0.13200873
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.45011936 magmom=12.0006486 free_energy=-96.45019696 stress="0.0006734300675672424 0.010965214310284861 0.002374581354270627 0.010965214310284861 5.954801659280335e-05 0.0010536548830409698 0.002374581354270627 0.0010536548830409698 0.0005821067152598411" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37972000       0.46754000       6.24993000       1.15230677       0.78144465      -2.17308912
Cr       3.12955000       0.70632000       1.14724000      -1.67448367       2.03082259      -0.62703892
Cr       7.07841000       1.69432000       4.42806000       0.47498917      -1.06448972       0.37723370
Cr      -2.26678000      -0.21989000       2.62652000      -1.62380866      -0.01697668       0.29365165
O       -7.47785000      -1.28219000       6.41793000      -0.29546943       0.82339149       0.00027181
O       11.90937000       2.45965000       0.86700000       1.20814244      -0.10133824      -0.48430257
O       -4.92240000      -0.59069000       5.72366000       0.44542453      -0.72666272       0.44023444
O        9.28087000       2.21228000       1.60201000       0.18683474      -1.70611714       1.13315674
O       -1.79677000      -0.08988000       4.58421000      -0.27195188       0.71671837      -0.19891129
O        6.61368000       1.50464000       2.45304000      -0.01139546      -0.09193967       0.06803785
O        0.83113000       0.50041000       4.20767000       0.27635499      -0.29884935       0.47178611
O        3.90191000       0.97672000       2.85258000       0.24414095      -0.20071724       2.14033587
Zn      -3.01226000       0.19587000       6.21324000      -0.39441778      -0.43102467       0.72078850
Zn       0.17697000       0.38471000       1.18054000       0.45324831       0.32696656      -0.86449330
Zn       2.69246000      -0.65564000       3.81846000      -0.16991503      -0.04122823      -1.29766147
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.47348847 magmom=11.9997994 free_energy=-96.47348853 stress="0.003405383663179215 -0.010125098088062178 0.007426672656138662 -0.010125098088062178 -0.007268998029808226 0.01305716015226478 0.007426672656138662 0.01305716015226478 0.006118520687878459" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41654000       0.45999000       6.18299000       0.38215457       0.15487768      -1.35846573
Cr       3.02518000       0.75057000       1.09737000       0.40768223       0.77982084       0.48398911
Cr      -0.24473000      -1.12914000       4.34615000       1.10027747      -1.60370794       0.80733209
Cr      -2.36763000      -0.27965000       2.69645000      -0.52101164      -0.67467565      -1.98808382
O       -7.49549000      -1.22286000       6.31776000      -0.26403655      -0.00379787       0.66762976
O       11.90260000       2.50358000       0.75178000      -0.03070912      -0.52641173       1.77025972
O       -4.89924000      -0.80119000       5.82782000       0.87261202       1.02609275      -0.48225044
O        9.39760000       2.04262000       1.73856000       0.16434099      -0.54786990       0.28703965
O       -1.78349000       0.08847000       4.45828000      -0.36530785      -0.86398145       2.06458996
O        6.54311000       1.34960000       2.45737000       0.49986511       1.25027632      -0.85295448
O        0.87946000       0.44733000       4.22236000       0.19860308       0.64970654      -0.38279789
O        3.98307000       0.86425000       2.98284000      -1.92283519       0.46597169       0.09260411
Zn      -2.91183000       0.20952000       6.19380000      -0.46072186      -0.40179186       0.91241894
Zn       8.00965000       0.44802000       1.22266000       0.09313991       0.31619379      -0.88775612
Zn       2.72575000      -0.68366000       3.88626000      -0.15405315      -0.02070319      -1.13355486
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.06225372 magmom=12.0015092 free_energy=-96.06226717 stress="0.0012440824651434085 -0.0034543897022018015 0.018342530491629552 -0.0034543897022018015 -0.0037842675341078105 0.007626080427948784 0.018342530491629552 0.007626080427948784 0.03234468660772509" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49198000       0.46685000       6.05081000       0.23449298       0.23778833       2.88202103
Cr       2.94864000       0.83800000       1.07703000       2.04418032      -2.71894033       0.21908087
Cr      -0.21661000      -1.14122000       4.31297000      -0.11560369      -1.13456784       0.94241023
Cr      -2.51145000      -0.35482000       2.67305000       0.83457348       0.81447463       0.28341970
O        0.37564000      -1.12432000       6.33085000       0.37081281      -0.66583704      -0.27966258
O       11.85071000       2.43144000       0.87356000       0.22575269       0.54414531      -0.87293079
O       -4.75545000      -0.82451000       5.87655000      -0.13179093       1.25396437      -0.98478661
O        9.53923000       1.78099000       1.93712000      -2.53467229       1.95263820      -0.30824847
O       -1.78874000       0.09117000       4.61235000       0.24819188      -0.81159012      -1.03959202
O        6.50590000       1.40396000       2.37460000      -0.56536230       0.18747746       0.52813278
O        0.92147000       0.47825000       4.21166000      -0.49232634       0.11209679      -0.67681509
O        3.78590000       0.82891000       3.10690000       0.58444640       0.53059353      -0.72038562
Zn      -2.83589000       0.20484000       6.22906000      -0.65430122      -0.29208287       1.39928859
Zn       7.98865000       0.53018000       1.21433000      -0.16487416       0.28812751      -0.83677073
Zn       2.75210000      -0.71636000       3.88693000       0.11648037      -0.29828793      -0.53516129
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.31773554 magmom=11.999614 free_energy=-96.31773554 stress="-0.0020823490847932365 0.016018581389101245 0.01035527496445166 0.016018581389101245 -0.005077031223897385 0.005553880817182875 0.01035527496445166 0.005553880817182875 0.03141154677745252" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60217000       0.49490000       6.05160000      -0.76536731       1.37352370       1.35231735
Cr       2.95799000       0.80162000       1.09514000      -0.98007126      -1.56030793       0.61742227
Cr       7.10122000       1.67047000       4.33481000      -0.05881662      -0.54923313       0.39920191
Cr      -2.62550000      -0.38754000       2.65005000       2.43381997       2.23608411       1.28011219
O       -7.31416000      -1.12820000       6.33862000      -0.14950348      -0.60301130      -0.31922580
O       11.77194000       2.42293000       0.87791000       0.81333890       0.84819024      -0.99821280
O       -4.65862000      -0.58205000       5.74240000      -0.31185798      -0.67575794       0.03590652
O        9.34280000       1.80491000       1.96500000       0.38388934       1.19313338      -1.60133741
O       -1.71582000      -0.09985000       4.62461000      -1.22838814       0.71042413      -0.18793122
O        6.32363000       1.52684000       2.40287000       0.47025765      -1.04446305       0.07936642
O        0.85833000       0.51075000       4.17086000       0.54628001      -0.77535713       0.50562666
O        3.67443000       0.91011000       3.02949000       0.45122559      -0.75315682      -0.30519953
Zn      -2.77943000       0.18473000       6.35053000      -0.34292332      -0.30850578      -0.03116838
Zn       7.95233000       0.64715000       1.15507000      -0.49837548       0.06974429      -0.10629832
Zn       2.78464000      -0.77257000       3.85265000      -0.76350786      -0.16130678      -0.72057987
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.80247433 magmom=11.9998958 free_energy=-95.80247433 stress="-0.007186628116100395 0.031042493133600968 0.010315416437513405 0.031042493133600968 -0.01531400614730528 0.007124458185078518 0.010315416437513405 0.007124458185078518 -0.004126381089432509" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.67962000       0.59043000       6.14005000      -0.43335600      -0.12287717      -0.73820409
Cr       2.93710000       0.68092000       1.12857000      -0.05295644       2.12819739      -2.80762321
Cr       7.10085000       1.51865000       4.39208000       0.04195742       0.65644462       0.34297253
Cr      -2.60987000      -0.29965000       2.68414000       1.32447669       0.99982127      -0.13865168
O       -7.12015000      -1.20185000       6.29689000      -2.52867230       0.82765826       0.30271400
O       11.79572000       2.52347000       0.76366000       0.74407460      -0.84159581       1.77044007
O       -4.63791000      -0.40856000       5.60711000       0.70729833      -1.28023530       0.60984615
O        9.19657000       2.08711000       1.68994000       0.95196509      -0.93975997       0.61825236
O       -1.76999000      -0.19620000       4.56676000      -0.66185752       0.55894796       1.19155242
O        6.18735000       1.46390000       2.49787000       2.16146957      -1.11363173      -0.64905862
O        0.84738000       0.39150000       4.24013000       1.03759454      -0.14092725      -0.75026178
O        3.68004000       0.91225000       2.84566000      -0.66923108      -0.07833436       1.91441361
Zn      -2.74208000       0.15072000       6.48996000      -0.90594848      -0.09575631      -2.06172590
Zn       7.88544000       0.77826000       1.07792000      -0.60720400      -0.40072923       0.82507834
Zn       2.78240000      -0.84926000       3.77831000      -1.10961042      -0.15722236      -0.42974421
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.41250663 magmom=11.9992332 free_energy=-96.41250663 stress="0.040720732098452055 -0.014396012886820924 0.009317853385318852 -0.014396012886820924 -0.0017434204155377477 0.032400273463034174 0.009317853385318852 0.032400273463034174 0.011378067638321639" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.69826000       0.66035000       6.18512000      -0.16100032      -0.75672140      -1.00140907
Cr       2.94460000       0.70096000       1.02570000       1.09659399       2.40501048      -0.04549494
Cr       7.09800000       1.42757000       4.46022000       0.72238584       1.40873241       0.20504223
Cr       5.34340000      -0.19458000       2.71117000      -1.13609276      -2.64707111       0.35656845
O       -7.27976000      -1.15502000       6.31565000      -0.12227067      -0.07792187       0.41185043
O       11.89715000       2.49660000       0.88067000       0.11487818       0.02384313      -0.50128512
O       -4.60443000      -0.48390000       5.65404000      -0.89738574      -0.73595859       0.66848340
O        9.26267000       2.13578000       1.55755000       0.08125411      -2.00850451       0.53171949
O       -1.86310000      -0.15757000       4.67906000       0.74944605      -0.45712719      -0.04511908
O        6.39769000       1.29186000       2.50291000       0.92916217       1.85552974       0.09031686
O        0.97251000       0.27855000       4.23635000      -0.51439586       0.62123646      -0.05801386
O        3.61460000       0.87726000       2.91840000       0.92859457       0.18037112       0.18119067
Zn      -2.75471000       0.12570000       6.50709000      -1.10527870       0.37345641      -2.09589190
Zn       7.80459000       0.85787000       1.05329000      -0.03601878      -0.60899359       1.11658434
Zn       2.72955000      -0.91604000       3.69821000      -0.64987208       0.42411852       0.18545810
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.58906339 magmom=11.9997809 free_energy=-96.5890634 stress="0.023361389895522812 0.0005167681822660635 0.01478267246102609 0.0005167681822660635 -0.0005646104357385466 0.022634648508285112 0.01478267246102609 0.022634648508285112 0.003220209640447651" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.69566000       0.66105000       6.16861000      -2.12281709      -2.61601228       0.64655973
Cr       3.01325000       0.83535000       0.94149000       0.86712907      -1.67857834       2.89079632
Cr       7.12418000       1.42722000       4.53564000       0.76532858       1.63933138      -0.18490287
Cr      -2.46301000      -0.21829000       2.74390000       0.31766050      -1.07867252       0.29425135
O       -7.41858000      -1.11869000       6.38886000       1.02771215      -0.21268555      -1.23513594
O       11.97179000       2.49083000       0.89586000       0.29176508       0.54823333      -0.77685340
O       -4.76688000      -0.66806000       5.84018000       1.41547825       1.79914086      -1.09750160
O        9.42972000       1.88003000       1.52142000      -0.42080827       1.27435137       0.45409263
O       -1.75877000      -0.17394000       4.73738000      -0.35880546      -0.62105614      -0.44304877
O        6.62985000       1.36806000       2.58428000      -1.75271422       0.10287510       0.40856925
O        0.98694000       0.30879000       4.26138000      -0.16003372       0.32120687       0.14404019
O        3.73647000       0.87219000       2.99890000       0.40202153       0.39328752      -0.07173421
Zn      -2.82162000       0.12690000       6.41766000      -0.79361046       0.13493835      -0.62448361
Zn       7.73452000       0.88604000       1.08079000       0.62477722      -0.43299072      -0.07548352
Zn       2.64970000      -0.95432000       3.63590000      -0.10308316       0.42663078      -0.32916555
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.78359686 magmom=11.9997137 free_energy=-96.78359686 stress="-0.017859498633622805 0.027003179742067052 0.010231688053102816 0.027003179742067052 -0.01260441715840072 0.009453004764504426 0.010231688053102816 0.009453004764504426 -0.014026803117860101" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60768000       0.54212000       6.17200000       0.36883484       0.78772407      -0.15915152
Cr       3.14280000       0.87395000       1.00591000       0.94133177      -1.82245899       1.38530606
Cr       7.16475000       1.50863000       4.59362000      -0.14993597       0.12367423      -0.90145764
Cr      -2.39134000      -0.30249000       2.78975000       0.60739289       0.46709530      -0.04267725
O       -7.31793000      -1.14221000       6.36543000      -0.13753737      -0.30791565       0.82930679
O       12.02981000       2.55885000       0.76949000       0.34352530      -0.10126727       1.76164067
O       -4.79666000      -0.62796000       5.86021000       1.19718389      -0.37842455      -1.33136670
O        9.55096000       1.89456000       1.56466000      -1.30162816       1.32509220       0.59652941
O       -1.65913000      -0.23822000       4.69985000      -1.44938412       0.96280804       0.91092267
O        6.52382000       1.44886000       2.73348000       0.53619831      -0.74304231      -1.71961472
O        0.96226000       0.41199000       4.33896000       0.11047875      -0.64148385      -1.27263882
O        3.94288000       0.92498000       3.00724000      -1.52295477      -0.20486482      -0.15302649
Zn      -2.92743000       0.14279000       6.29592000      -0.62052933      -0.23313886       0.12568417
Zn       7.69378000       0.88108000       1.10872000       0.50805809       0.29277072      -0.14997848
Zn       2.56985000      -0.96563000       3.56605000       0.56896588       0.47343174       0.12052186
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.86448782 magmom=12.0002568 free_energy=-96.8644908 stress="-0.016892202125934307 0.004166679262032083 0.004201969503610922 0.004166679262032083 -0.01869780253380664 0.013880279022481165 0.004201969503610922 0.013880279022481165 -0.004902533783121847" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.56435000       0.44636000       6.17637000       2.61130915       1.57456865      -0.49366443
Cr       3.31300000       0.81379000       1.16157000      -2.50731926       0.57406357      -0.15486232
Cr       7.16739000       1.59817000       4.59963000      -0.49200970      -0.62026756      -0.45482963
Cr      -2.29507000      -0.35459000       2.83809000      -1.67140738       1.28334785      -0.34377702
O       -7.20870000      -1.22307000       6.45742000      -1.37282427      -0.08647125      -0.16997901
O       12.10503000       2.56942000       0.86357000       1.06071131      -0.73807670       0.12680801
O       -4.72575000      -0.60902000       5.62646000      -1.16588683      -1.06838849      -0.63579198
O        9.47947000       2.15715000       1.66524000       0.42622274      -0.86737155      -0.89034536
O       -1.72695000      -0.13236000       4.76999000       0.38031303       0.16543369      -0.14063284
O        6.49365000       1.38079000       2.64224000       1.47893039      -0.17291510       0.34917974
O        0.93053000       0.40217000       4.27720000      -0.58170624      -0.36583410       0.06408607
O        3.92349000       0.94681000       2.96082000       0.05843665      -0.51245757       1.41456440
Zn      -3.05881000       0.15857000       6.18924000      -0.11889939       0.07757766       1.29335169
Zn       7.68307000       0.88036000       1.12194000       0.93771838       0.39229049      -1.17251757
Zn       2.52388000      -0.95035000       3.50773000       0.95641143       0.36450041       1.20841025
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.6036377 magmom=12.0013416 free_energy=-96.6036377 stress="0.004008536609898333 -0.02853093526428769 0.00388183200232602 -0.02853093526428769 -0.01905052310946816 0.021953189288480224 0.00388183200232602 0.021953189288480224 0.015633998134046423" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.65461000       0.43845000       6.14897000      -1.07178015       0.23202001      -0.23766226
Cr       3.35022000       0.77574000       1.29364000      -0.65163483       1.04772688      -2.46584292
Cr       7.12929000       1.63867000       4.58140000       0.12729776      -1.02813504       0.73593819
Cr      -2.27215000      -0.33313000       2.87156000      -0.42774777       0.05135370       0.09171569
O       -7.24078000      -1.27452000       6.52811000       0.59475871       0.51911452      -0.06219485
O       12.25330000       2.45431000       0.99275000      -0.42587993       0.34830868      -0.80737371
O       -4.86935000      -0.77638000       5.33200000       1.08882316       0.20319250       1.95115099
O        9.49692000       2.23777000       1.59818000      -0.22747167      -2.25295048       0.62962082
O       -1.72371000       0.00429000       4.78743000      -0.73961667      -1.21468793       0.12517440
O        6.65161000       1.30060000       2.62947000      -0.67525618       0.96690649       0.41544068
O        0.79898000       0.33162000       4.26410000       0.94301791       1.09528222       0.30764524
O        3.92917000       0.89326000       3.12003000       0.66379034      -0.00936149       0.51638631
Zn      -3.19521000       0.18067000       6.14633000       0.09148049      -0.23044795       0.63125353
Zn       7.72432000       0.89103000       1.07426000       0.77371881       0.24663448      -1.28869570
Zn       2.52355000      -0.91730000       3.50563000      -0.06349997       0.02504342      -0.54255639
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.61750032 magmom=11.9998436 free_energy=-96.61750032 stress="-0.008447721171490959 -0.005664182707564821 -0.0027840082248689873 -0.005664182707564821 -0.019787174452820477 0.017282897210279903 -0.0027840082248689873 0.017282897210279903 0.02914380003665574" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.69569000       0.44266000       6.10383000      -1.86767399      -0.80217058       1.93231754
Cr       3.33028000       0.77832000       1.27991000       0.31799210      -0.93165667      -0.99125571
Cr       7.08916000       1.61470000       4.61069000       0.20191304      -0.33148809       1.19606626
Cr      -2.27527000      -0.29349000       2.90948000       0.64446591      -0.58374127      -0.29359403
O       -7.12916000      -1.20686000       6.58050000      -0.54557426      -0.43599181      -0.07643074
O       12.26310000       2.37976000       1.00931000      -0.54763111       0.83936753      -0.25617981
O       -4.86548000      -0.89941000       5.41534000       1.64627601       2.01682402      -0.20565956
O        9.55727000       1.91395000       1.59353000       0.32315173       0.09319738       0.18808826
O       -1.78199000      -0.07929000       4.78885000       0.04582291      -0.16036059       1.04204583
O        6.65907000       1.39769000       2.72725000      -0.17761203       0.06842116      -1.10635273
O        0.78379000       0.40995000       4.37661000       0.86255646      -0.46739931      -0.83831056
O        4.09500000       0.84282000       3.34484000      -1.93055423       0.43515191      -1.49233033
Zn      -3.34743000       0.20345000       6.14028000       0.93627320      -0.05095903       0.21522897
Zn       7.81957000       0.91056000       0.94882000      -0.03704461       0.28871401       0.02331058
Zn       2.52823000      -0.87658000       3.48754000       0.12763886       0.02209135       0.66305605
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.91562174 magmom=11.9997415 free_energy=-95.91562174 stress="-0.059879425697833784 0.021869442148334712 -0.00601533960418654 0.021869442148334712 -0.022084721004312385 -0.00884331308175334 -0.00601533960418654 -0.00884331308175334 0.011343426482484348" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64592000       0.42582000       6.15419000       1.18340738       1.03024979       1.22217478
Cr       3.34968000       0.73185000       1.18373000       0.97645255      -1.27442170       1.60374306
Cr       7.05346000       1.55058000       4.70708000       1.07591313      -0.30353554      -0.29854197
Cr      -2.25743000      -0.26991000       2.94050000      -0.96535944      -0.05122556      -0.53380310
O       -7.06501000      -1.20874000       6.60463000      -2.07843458      -0.91493273      -1.58216662
O       12.11401000       2.43627000       1.00856000       1.69194015      -0.20928614      -0.40871056
O       -4.71523000      -0.79748000       5.58319000      -2.72628940      -1.74030687      -1.52849409
O        9.63522000       1.52577000       1.64267000      -1.97735734       2.08619533       0.26505400
O       -1.80176000      -0.22755000       4.92108000       0.27249986       1.14948382      -0.21219796
O        6.58097000       1.51452000       2.73142000       0.65729935      -1.13540409       0.33292218
O        0.90204000       0.42593000       4.40200000      -0.58228619      -0.85413588      -0.92959529
O        4.01148000       0.86239000       3.25134000      -1.11974964       0.04064160      -0.81882118
Zn      -3.46499000       0.25686000       6.16363000       3.37274883       2.04258828       1.57731283
Zn       7.94266000       0.94157000       0.78878000      -0.05952925       0.01122579       0.30713514
Zn       2.54146000      -0.82276000       3.48383000       0.27874459       0.12286391       1.00398877
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.8995165 magmom=11.9993678 free_energy=-95.8995165 stress="-0.012367404943224098 0.015151111066568376 -0.013597808067578564 0.015151111066568376 -0.01248425243529805 0.006007762680492611 -0.013597808067578564 0.006007762680492611 -0.02128133518948425" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.62571000       0.44004000       6.25388000      -1.18852195      -1.35730748      -2.16842069
Cr       3.39174000       0.64413000       1.15170000      -2.90779056       0.47253287       0.11626843
Cr       7.07028000       1.47168000       4.77733000       1.35302567       0.76688546      -2.64964375
Cr      -2.27256000      -0.25822000       2.93987000      -0.71425227      -0.54173739      -0.06085096
O       -7.29039000      -1.34770000       6.46934000       0.83228549       0.54120199       2.50355458
O       12.20270000       2.42287000       0.95515000       0.78245818      -0.69242946      -0.34774029
O       -4.92756000      -0.87143000       5.53127000       2.26137744       1.40289502       0.67647615
O        9.50161000       1.48549000       1.68085000       1.30482493       1.39547268      -0.43489748
O       -1.73554000      -0.17696000       4.97091000      -1.69503665      -0.45139946      -0.35911642
O        6.51868000       1.42246000       2.82053000       0.00915405      -0.11445420      -0.18155086
O        0.91416000       0.26892000       4.34114000      -0.67743198      -0.02663694       0.77731090
O        3.76578000       0.89879000       2.97394000       1.40109141      -0.34374629       1.89541476
Zn      -3.44945000       0.38916000       6.24865000       0.22752153      -0.76981799      -0.64064350
Zn       8.06171000       0.96721000       0.64434000      -0.23520891       0.04397396       0.75787003
Zn       2.56244000      -0.76392000       3.53241000      -0.75349638      -0.32543277       0.11596910
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.36628533 magmom=12.0003249 free_energy=-96.36628533 stress="0.002708905231579822 -0.004347672509739821 -0.022447545247565755 -0.004347672509739821 -0.019025774857942553 0.005933619874725862 -0.022447545247565755 0.005933619874725862 -0.03509610039867086" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.56602000       0.39550000       6.22693000      -0.11776146      -0.20978808       0.29486284
Cr       3.29343000       0.59859000       1.15997000       0.96039656       0.07982993       1.39174656
Cr       7.13411000       1.42767000       4.71845000      -2.31727655      -0.55838815      -0.19529169
Cr      -2.31830000      -0.28604000       2.93198000      -1.12457398      -1.63579536      -0.11104879
O       -7.36040000      -1.38306000       6.62806000       0.49839992       0.35128004      -1.81982425
O       12.33330000       2.28030000       0.84692000      -1.29159548       0.44115611       0.76349617
O       -4.84308000      -0.77005000       5.60766000       0.43695834      -0.39157179      -0.07587039
O        9.60774000       1.72840000       1.62484000      -0.31707552       0.63643018      -0.02893120
O       -1.86333000      -0.16953000       4.88816000      -0.12924086      -0.63470560       0.53637609
O        6.43519000       1.32326000       2.90515000       1.49389958       1.33413562      -1.13597910
O        0.79149000       0.13827000       4.44930000       1.09370113       1.37121677      -0.92507649
O        3.80111000       0.85683000       3.00901000       0.22377203      -0.36558567       0.98136778
Zn      -3.41748000       0.47905000       6.29948000      -0.13159202      -1.12300095      -1.60786431
Zn       8.16121000       0.99057000       0.55742000       0.52252486       0.82343901       1.69175570
Zn       2.55382000      -0.72445000       3.58360000       0.19946346      -0.11865206       0.24028108
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.32194274 magmom=11.9993901 free_energy=-96.32194274 stress="-0.021684260342441267 -0.009222247490181329 -0.010499830050946653 -0.009222247490181329 -0.03491551973344087 0.006190887010351762 -0.010499830050946653 0.006190887010351762 -0.008445211235977112" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51619000       0.33184000       6.21091000       1.53359474       0.78164472       0.97514135
Cr       3.24870000       0.60305000       1.22257000       2.75599149       2.62883675      -0.51757423
Cr       7.06665000       1.36861000       4.61960000      -1.36306001       0.74998929       0.70815434
Cr      -2.38691000      -0.38818000       2.92288000       1.19598427      -0.09209048      -0.65514172
O       -7.26653000      -1.34270000       6.56067000      -1.10442371      -0.41545723      -0.34655159
O       12.15725000       2.22921000       0.88456000      -0.00157806       1.20302206       0.84868679
O       -4.73594000      -0.74117000       5.68949000      -1.00343016      -0.95659287      -0.44584695
O        9.68574000       1.98228000       1.58997000      -2.40792633      -3.27470147       1.31577091
O       -1.96939000      -0.26920000       4.83028000       1.22781676       0.06899336       0.59181321
O        6.51299000       1.38116000       2.81238000      -0.29348358      -0.83935083      -0.95665835
O        0.78675000       0.22225000       4.43265000       0.76874203      -0.24090658      -1.37318761
O        3.90680000       0.75266000       3.21175000      -1.34233784       0.46379053      -0.98835534
Zn       4.46734000       0.51412000       6.27392000       0.06598271      -0.38997227      -0.91942996
Zn       8.27867000       1.04949000       0.55407000      -0.05608029       0.59890600       1.16133936
Zn       2.55165000      -0.69459000       3.64843000       0.02420798      -0.28611100       0.60183980
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.07622289 magmom=11.997003 free_energy=-96.07622289 stress="-0.03945690393262291 0.010814692334824015 -0.007395319227716446 0.010814692334824015 -0.02957442582475112 -0.0047685241881667085 -0.007395319227716446 -0.0047685241881667085 0.006748292790966683" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.53983000       0.30780000       6.23947000      -0.54216854       0.88396589      -1.39999804
Cr       3.30577000       0.71355000       1.28459000      -3.78054121      -0.82319418       0.05940424
Cr       6.92279000       1.33809000       4.53606000       3.78968857       0.85605485       0.01036486
Cr      -2.38018000      -0.49572000       2.88856000       0.60655297       1.20722371      -0.48623883
O       -7.29169000      -1.35686000       6.40612000      -0.76020208      -0.24750783       1.67217403
O       11.96335000       2.40388000       1.04957000       2.72954366      -0.51380476      -1.58124300
O       -4.82511000      -0.88293000       5.70738000       1.06534734       0.41292330       0.41107816
O        9.52416000       1.82729000       1.78397000       2.03338880       1.16401784       0.42536074
O       -1.83652000      -0.34817000       4.80155000      -1.13350775       0.13384498       0.08707631
O        6.48770000       1.28413000       2.62376000      -0.78478311      -0.78310300       0.45305669
O        0.87446000       0.31072000       4.24577000      -0.68933779      -0.44281629       1.10424756
O        3.84602000       0.73258000       3.19007000       0.26205400       0.29035169      -0.07126760
Zn       4.49129000       0.52624000       6.20060000      -0.08235592      -0.47546309       0.23801399
Zn       8.38645000       1.12779000       0.60350000      -1.92734901      -0.80225942      -0.82412106
Zn       2.54682000      -0.68431000       3.74380000      -0.78632992      -0.86023369      -0.09790804
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.91384964 magmom=11.9995618 free_energy=-95.91384964 stress="-0.03344956073147563 0.005073860830612365 -0.006285230941000635 0.005073860830612365 -0.024871100247426607 0.0010666075623714407 -0.006285230941000635 0.0010666075623714407 0.004838036923875203" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52413000       0.32913000       6.19893000      -1.25372742      -0.21003234       1.59122238
Cr       3.20197000       0.77513000       1.33258000       1.78818611      -1.77970785      -1.44993828
Cr       6.97964000       1.34903000       4.46366000       1.41213406       0.22496687       0.85989373
Cr      -2.33269000      -0.53810000       2.81516000      -2.35954788      -0.17923008      -0.20488714
O       -7.39732000      -1.39272000       6.54088000       0.38195109       0.46248844      -0.23875115
O       12.12907000       2.48831000       0.95382000      -1.05400897      -0.97427501      -0.94255956
O       -4.76940000      -0.93615000       5.78807000       0.32530425       0.89554739      -0.55483989
O        9.66415000       1.84316000       1.97705000      -1.75316378       1.06573887      -1.74960745
O       -1.81838000      -0.36020000       4.73254000      -0.74059315       0.21132752       0.57717741
O        6.31592000       1.07253000       2.59472000       3.24323191       2.25919060       0.06333637
O        0.81557000       0.30578000       4.29936000      -0.00707961      -0.81585350       0.23523527
O        3.84409000       0.78565000       3.11852000       0.01207514      -0.74209497       1.30003908
Zn       4.50931000       0.51805000       6.13959000       0.32855597      -0.21973786       0.46988424
Zn       8.40999000       1.16705000       0.62724000      -0.91673988      -0.04757501      -0.01305050
Zn       2.50721000      -0.71610000       3.84295000       0.59342215      -0.15075307       0.05684548
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.47485649 magmom=11.9998042 free_energy=-95.47485649 stress="-0.007523207450113356 -0.018809475128249233 -0.03507682355390915 -0.018809475128249233 -0.021739975735389286 0.00956881381925605 -0.03507682355390915 0.00956881381925605 -0.012814162205006257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42423000       0.35203000       6.24113000       1.18069181       0.17454603       0.85038178
Cr       3.14647000       0.74852000       1.30814000       2.11658111       0.34056533      -0.38819106
Cr       7.12932000       1.36871000       4.43648000      -3.98957288      -0.76621807       1.47768913
Cr      -2.36458000      -0.55737000       2.70582000       1.24515038       1.47564694       1.46093994
O       -7.38334000      -1.32692000       6.67549000      -0.51808532      -0.28171708      -1.74671010
O       12.15571000       2.32439000       0.73623000      -0.46294001       0.47750702       3.45448820
O       -4.69057000      -0.84053000       5.78642000      -1.65001329      -0.49483093      -0.34013734
O        9.61949000       2.06906000       1.85678000      -0.95136929      -1.72446547       0.74829045
O       -1.90874000      -0.30463000       4.68131000       0.96492074      -0.20740762      -0.14288161
O        6.56559000       1.18210000       2.64644000      -0.39457991       0.03726189      -1.26749767
O        0.72492000       0.13548000       4.45366000       1.89131309       0.86297847      -1.50737359
O        3.87129000       0.73775000       3.18088000      -0.25367436      -0.20675471      -0.85978542
Zn       4.55011000       0.50300000       6.09972000       0.84346172       0.37270646       0.35164245
Zn       8.37597000       1.19604000       0.64221000      -1.46506583      -0.22158352      -0.35037865
Zn       2.48858000      -0.76910000       3.95928000       1.44318203       0.16176525      -1.74047652
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.4827336 magmom=11.9990539 free_energy=-95.4827336 stress="-0.01052303867820863 -0.01973902949863841 -0.027039859162573544 -0.01973902949863841 -0.024679660966626934 0.009464060955045487 -0.027039859162573544 0.009464060955045487 -0.033473967335274704" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37414000       0.38626000       6.36063000       2.38468885       0.01319266      -1.81032372
Cr       3.18887000       0.69011000       1.25174000      -2.23684655      -1.39364695       1.32468532
Cr       7.08504000       1.34628000       4.46872000       0.25653577       0.80772813      -0.08525818
Cr      -2.32407000      -0.50078000       2.67780000       2.22067722       0.87887913       2.26929826
O       -7.38628000      -1.28730000       6.55144000      -1.37990247      -0.70890933       0.38944935
O       12.01944000       2.23964000       1.02676000       0.34250938       2.18490343      -2.87443583
O       -4.89291000      -0.79461000       5.79297000       0.72237748       0.09722334       1.68892118
O        9.43107000       2.08344000       1.79105000       1.34870030      -1.15332089       0.43600969
O       -1.81943000      -0.27174000       4.57471000      -0.22364103      -0.68191358       0.73543351
O        6.79837000       1.40274000       2.55419000      -2.18872113      -1.11292164      -0.40555323
O        0.86392000       0.11388000       4.41556000      -0.53619844       1.51892766       0.20873825
O        3.89387000       0.65943000       3.05188000       0.27126194       0.63159324       0.82092301
Zn       4.63873000       0.50413000       6.07357000      -0.16383296      -0.37100664       0.26208024
Zn       8.25481000       1.20596000       0.64194000      -1.36234622      -0.54932187       0.15675621
Zn       2.54156000      -0.82938000       3.99546000       0.54473786      -0.16140671      -3.11672406
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.01577303 magmom=11.9992119 free_energy=-96.01577303 stress="-0.01935535730418767 0.04421037665287596 0.0031558573033448178 0.04421037665287596 -0.013668807830353282 -0.002369264674517962 0.0031558573033448178 -0.002369264674517962 0.005139076399634854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43180000       0.41915000       6.38223000      -1.15815891       0.17150511      -1.38041524
Cr       3.12928000       0.59359000       1.26622000      -1.16370253       1.59809594       0.57740613
Cr       7.03491000       1.35422000       4.49465000       3.33177660       1.36915365       0.43893758
Cr      -2.17552000      -0.38936000       2.74188000      -3.06241659       0.33706353      -2.40363092
O       -7.53760000      -1.35297000       6.47097000       0.08861680       0.31041061       0.65450621
O       11.92670000       2.43473000       0.99586000       1.52509399      -1.56630890      -0.68648466
O       -4.98670000      -0.74732000       6.04788000       2.21813432      -0.09714464      -1.32069534
O        9.50514000       1.85981000       1.81020000      -0.15553153      -0.34450018      -0.09012872
O       -1.72694000      -0.33382000       4.57431000      -1.28079232       0.40080851       1.62782645
O        6.60437000       1.39957000       2.45491000       1.04133119      -1.42682690       0.37065192
O        0.92278000       0.38420000       4.40749000      -0.13014810      -0.94436137      -0.27211565
O        3.98337000       0.72146000       3.02238000      -0.37584305       0.47664221       1.66461425
Zn      -3.13820000       0.49605000       6.06333000      -0.76632077      -0.52851468       0.25235683
Zn       8.06656000       1.18192000       0.64996000      -0.14893472       0.01988671       1.07091931
Zn       2.62338000      -0.89545000       3.89119000       0.03689562       0.22409040      -0.50374816
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.32350582 magmom=12.000478 free_energy=-96.32350582 stress="0.008029398121897747 0.028128008969134498 0.003460542188683022 0.028128008969134498 -0.0021077199018881103 0.006669335191437591 0.003460542188683022 0.006669335191437591 0.02941316405957133" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.45384000       0.44756000       6.31831000       0.06121991      -0.10937007      -0.68403029
Cr       3.05596000       0.56552000       1.30839000       2.80234644      -0.14617176      -0.97615873
Cr       7.12469000       1.42341000       4.53964000      -0.12163812       0.77342990       0.39058701
Cr      -2.19191000      -0.31742000       2.70911000      -3.18317598      -2.50190506       0.02927987
O       -7.56886000      -1.34604000       6.51778000       0.92847822       0.39288126      -0.05829594
O       11.99006000       2.39098000       0.86029000      -0.20162123      -0.52983516       2.41670149
O       -4.83489000      -0.72525000       6.04652000       0.07359259      -0.04598820      -1.57314057
O        9.57943000       1.71834000       1.81271000      -2.17155711       1.36583938       0.33747173
O       -1.77575000      -0.30273000       4.71602000       0.34317697       0.63120401      -0.55766475
O        6.55076000       1.25262000       2.48114000       1.93403853       2.04356390       0.07007200
O        0.92475000       0.44392000       4.39304000       0.18979170      -1.46677857      -0.53528641
O        3.97112000       0.83217000       3.18840000      -0.65037734      -0.43556936      -0.61428637
Zn      -3.10617000       0.47299000       6.07421000      -0.64262482      -0.23086208       0.10782137
Zn       7.91576000       1.15596000       0.69166000       0.04162592      -0.04019588       1.09215211
Zn       2.68898000      -0.93405000       3.78945000       0.59672431       0.29975768       0.55477748
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.15634968 magmom=11.9997083 free_energy=-97.15634968 stress="0.020798124275063695 -0.0006250541775475144 -0.010723974989362171 -0.0006250541775475144 0.009393584417980792 0.018735090738630257 -0.010723974989362171 0.018735090738630257 0.025360110460051474" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.49160000       0.46452000       6.24327000       1.44195836      -0.58517010       0.55759987
Cr       3.10564000       0.55617000       1.30916000      -0.99706998       0.68352608      -0.44397096
Cr       7.19239000       1.50903000       4.59278000      -0.88017227      -0.24618731      -1.14946011
Cr      -2.33800000      -0.35357000       2.68505000       2.18553735       0.27499562       2.75131608
O       -7.36311000      -1.26523000       6.54995000      -0.11068820      -0.15766923      -0.08728577
O       11.97849000       2.25758000       1.04345000      -0.19039523       0.58575685      -2.07444067
O       -4.78055000      -0.73871000       5.76118000      -0.47751017       0.01611849      -0.25886316
O        9.41983000       1.81026000       1.79603000       0.92084310      -0.16548216      -0.31551711
O       -1.72735000      -0.14651000       4.70897000      -0.24632330      -0.41673648      -0.21126985
O        6.69439000       1.34871000       2.56586000      -1.70831877      -0.20551657      -0.24361817
O        0.92509000       0.25524000       4.35628000       0.22864897       0.82451644       0.24234064
O        3.85100000       0.83297000       3.17576000       0.46066654      -0.39586470      -0.40951177
Zn      -3.10878000       0.44853000       6.09319000      -0.23651371      -0.16962264       0.15490546
Zn       7.79881000       1.12834000       0.77738000       0.16285189      -0.03082496       0.98386104
Zn      -5.09780000      -0.94945000       3.73497000      -0.55351458      -0.01183933       0.50391448
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.93242406 magmom=12.0001311 free_energy=-96.93242406 stress="-0.013411478572987053 -0.001679222955242364 0.0020816077994788825 -0.001679222955242364 -0.030693840935866943 0.019454694167510847 0.0020816077994788825 0.019454694167510847 -0.008208896621792474" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.60766000       0.44743000       6.20536000       0.60497107       0.00427442       0.53329199
Cr       3.11184000       0.58691000       1.26771000      -0.43980749       0.93968572      -1.80165043
Cr       7.19359000       1.56795000       4.57909000      -0.04035940      -0.70972131      -0.24928038
Cr      -2.36147000      -0.38191000       2.78711000      -0.00534009       0.66437470      -0.20302008
O       -7.15100000      -1.23406000       6.53620000      -1.95646342      -0.69817968      -0.54397935
O       11.93948000       2.27974000       0.96697000       1.39414761       0.83032924       0.08223882
O       -4.82552000      -0.75108000       5.51128000       1.58632898       0.29679220       2.11649075
O        9.44617000       1.88521000       1.70496000      -0.28785168      -1.09656285       0.39807842
O       -1.68953000      -0.07740000       4.65194000      -1.08485507      -0.85919498       1.23873198
O        6.49184000       1.40717000       2.62750000       0.73408511      -0.82281894      -0.82336714
O        0.92489000       0.24011000       4.39347000      -0.04252309       1.57507897      -0.95690305
O        3.84219000       0.76161000       3.05295000       0.40288451       0.36767129       1.09216718
Zn      -3.12722000       0.42303000       6.11806000      -0.17417808      -0.41554761       0.09520287
Zn       7.70269000       1.09523000       0.90834000       0.37308815       0.25946601       0.50165843
Zn      -5.05803000      -0.96444000       3.69732000      -1.06412713      -0.33564718      -1.47966000
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.03650241 magmom=12.0010022 free_energy=-97.03650254 stress="-0.013883560352349389 0.02775019804483219 0.016110303611290844 0.02775019804483219 0.000977886338909184 0.0013073849928942865 0.016110303611290844 0.0013073849928942865 0.024679151540893587" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.75632000       0.42209000       6.19595000      -1.79683011       0.66067047      -0.05661752
Cr       3.09992000       0.67117000       1.11647000       1.62098589      -0.33094465      -0.26921292
Cr       7.17264000       1.58863000       4.54215000      -0.45309626      -0.01100037       0.67027531
Cr      -2.36040000      -0.36873000       2.90114000      -1.44429665      -0.55733773      -1.64841118
O       -7.20959000      -1.30555000       6.42090000       0.01426725       0.61825770      -0.09915634
O       12.07776000       2.46618000       0.85532000      -0.20362689      -0.77916324       0.81748803
O       -4.64399000      -0.72903000       5.63200000      -0.41217736      -0.79820611      -0.59468368
O        9.51730000       1.81303000       1.64470000      -0.70950649       0.72326248       0.16630300
O       -1.78738000      -0.15858000       4.78425000       0.70760858       0.31153327      -0.08814566
O        6.35848000       1.29877000       2.57909000       2.20199000       0.54744815       0.67292193
O        0.89551000       0.49621000       4.32192000       0.59241092      -1.38484390      -0.61929061
O        3.89833000       0.75450000       3.03954000      -1.13954145       0.49215395       0.37038814
Zn      -3.15509000       0.38360000       6.16011000       0.73971876       0.29856380       1.29706830
Zn       7.61866000       1.06267000       1.07492000       0.67007732       0.18584747      -0.98285990
Zn       2.22922000       1.91735000       3.59613000      -0.38798351       0.02375867       0.36393310
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.6349652 magmom=11.9991528 free_energy=-96.63505814 stress="0.005495198916086943 0.007765831150243183 0.016646487973768342 0.007765831150243183 0.01212815442301079 0.006767802587573497 0.016646487973768342 0.006767802587573497 0.012087744558605408" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.81031000       0.42922000       6.18165000      -1.72330821      -0.16729891      -1.16574557
Cr       3.16714000       0.75085000       0.94093000      -0.17866142      -0.70268990       2.29655966
Cr       7.13541000       1.59457000       4.54637000       0.81717711      -0.39668683       0.40268462
Cr      -2.42710000      -0.36623000       2.92269000       0.45733109      -0.28733673      -0.72693182
O       -7.23453000      -1.25297000       6.32402000       1.03699172       0.31406777       0.65693263
O       12.14507000       2.50727000       0.85827000      -0.41984680      -0.64982454       0.19383598
O       -4.59077000      -0.85007000       5.72626000      -0.33890251       0.67885180      -0.87893942
O        9.53418000       1.84815000       1.55085000       0.00984740       0.76685524      -0.59756980
O       -1.75380000      -0.18682000       4.86731000      -0.33599365       0.60914717      -0.65999290
O        6.52262000       1.25089000       2.71356000      -1.42594391       0.91512101       0.39813305
O        0.91526000       0.51382000       4.18058000       0.23133374      -1.37285008       0.72068781
O        3.81210000       0.82831000       3.05481000       0.50252008      -0.41993505      -0.33246814
Zn      -3.14642000       0.36404000       6.27069000       0.74604602       0.14116961       1.13233627
Zn       7.57831000       1.03246000       1.19239000       1.50087946       0.11443176      -1.90526344
Zn       2.18753000       1.88574000       3.49905000      -0.87947012       0.45697769       0.46574108
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.29074968 magmom=12.0004736 free_energy=-96.29074968 stress="-0.010658678717626685 -0.02617945092661285 0.011161234041145234 -0.02617945092661285 -0.04330667036905998 0.029097748859125035 0.011161234041145234 0.029097748859125035 0.004974864060879948" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.76818000       0.43268000       6.09540000       0.38763022       0.70487305      -0.39515666
Cr       3.23650000       0.79650000       0.88863000      -0.97524660      -1.05139308       2.96922808
Cr       7.13512000       1.57286000       4.61258000       0.66200546      -0.26186814       0.49919354
Cr      -2.47551000      -0.37717000       2.89450000       0.68757571       0.75634249      -0.07591549
O       -7.05703000      -1.13700000       6.33681000      -1.62388887      -2.05968477      -0.71876593
O       12.08505000       2.40714000       0.86251000       1.51054363       1.36906762      -0.16487752
O       -4.68162000      -0.86017000       5.64853000       1.60139704       1.59352418      -0.67603018
O        9.58445000       2.03545000       1.29387000      -0.91983130      -0.99676815       0.94202802
O       -1.71480000      -0.09768000       4.81273000      -1.00893129      -0.52247719       1.19633290
O        6.42299000       1.38128000       2.88412000       0.16141083      -0.50052098      -2.93936793
O        0.98073000       0.23396000       4.18919000       0.28445176       0.96998773      -0.17483990
O        3.81308000       0.83720000       2.97484000      -0.68699996      -0.17853932       0.05905758
Zn      -3.09191000       0.35909000       6.46326000      -0.17891479      -0.45786486      -0.50018702
Zn       7.61659000       1.00097000       1.23178000       0.61975194       0.35299976      -0.28402344
Zn       9.95126000       1.87443000       3.41383000      -0.52095378       0.28232164       0.26332395
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.02974127 magmom=11.9999867 free_energy=-96.02974127 stress="-0.00041173081134501604 0.008603637190210085 -0.0014793029427782798 0.008603637190210085 -0.005521619349046989 0.019188250003703965 -0.0014793029427782798 0.019188250003703965 0.01408728075730513" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.75348000       0.46140000       5.97726000       1.91238652       0.50917038       1.42588421
Cr       3.25844000       0.79700000       0.99057000       0.17975952      -0.00614428      -1.05280810
Cr       7.13438000       1.52816000       4.70294000      -1.57984658      -0.02474847      -2.01049470
Cr      -2.48120000      -0.34081000       2.85599000      -0.23001625       0.64618105      -0.43905043
O       -7.07660000      -1.29876000       6.32246000      -0.53638347       0.71902568       0.55439646
O       12.17665000       2.48002000       0.81057000      -0.05389047       0.17844781       0.18672237
O       -4.59813000      -0.60422000       5.47571000       0.08326423      -1.10158090       0.46032960
O        9.54752000       2.05472000       1.17669000      -0.42503476      -1.15688703       1.62391666
O       -1.77551000      -0.07611000       4.90469000       0.37484936      -0.80331992      -0.09901865
O        6.32674000       1.41901000       2.60582000       1.42639896      -0.78230633       1.21065560
O        1.08411000       0.08625000       4.20820000      -1.10338507       1.38874620      -1.33055072
O        3.73983000       0.82242000       2.86725000      -0.32073410       0.50047935       1.17247008
Zn      -3.03907000       0.33961000       6.64853000      -0.59128039      -0.25415221      -1.73123415
Zn       7.69308000       0.97764000       1.24902000       0.27163307       0.00399081      -0.21639249
Zn       9.82331000       1.88031000       3.33742000       0.59227943       0.18309785       0.24517425
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.94899791 magmom=11.9998065 free_energy=-95.94899791 stress="0.013050106292001639 0.0228196318653959 -0.009629698274024398 0.0228196318653959 0.005347373590885443 0.013424101557080967 -0.009629698274024398 0.013424101557080967 0.016649570886061456" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.84928000       0.52465000       5.92485000      -1.33330499       0.67693700       0.97256009
Cr       3.27175000       0.78360000       1.03432000      -0.28315646      -0.24156548      -1.63963390
Cr       7.03050000       1.48039000       4.69525000       1.35732337       0.33241011      -1.25257724
Cr      -2.47510000      -0.26909000       2.79110000      -0.41095028      -1.17974271       0.18307393
O       -7.17646000      -1.35650000       6.37264000       0.74850482       0.95072938      -0.53412715
O       12.20652000       2.58457000       0.79125000      -0.39048470      -0.88662845       0.45632839
O       -4.56898000      -0.54764000       5.44350000       0.35521349      -1.42605197       0.53006709
O        9.51762000       1.87726000       1.36582000       0.51227133       0.78045346      -0.23489421
O       -1.71985000      -0.18781000       4.95059000      -0.99405524      -0.07573003      -0.42030021
O        6.41135000       1.31842000       2.57019000      -0.01059385       1.00662045       1.49664151
O        1.00520000       0.21830000       4.08265000      -0.82952193       0.21464124       0.79052971
O        3.66029000       0.90232000       2.92280000       1.47625672       0.05581502       0.45869465
Zn      -3.01778000       0.31357000       6.73230000      -0.62345278      -0.24071429      -2.31175975
Zn       7.78322000       0.94766000       1.25400000       0.03364086      -0.40554189       0.07413098
Zn       9.72465000       1.89584000       3.28193000       0.39230964       0.43836815       1.43126609
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.33980083 magmom=12.0001565 free_energy=-95.33980083 stress="-0.015349684598268732 0.009444279921176591 -0.00496453793966134 0.009444279921176591 -0.0361037287082101 0.013968855586486412 -0.00496453793966134 0.013968855586486412 -0.0013199282978827" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.90179000       0.61940000       5.93021000      -3.83486588      -2.92274591       1.57953806
Cr       3.27418000       0.75460000       0.97099000       0.27445090      -0.19049907       0.32326870
Cr       6.96369000       1.43443000       4.62535000       2.05274165       0.46257279       1.66640006
Cr      -2.47554000      -0.24756000       2.72290000       0.56522734      -0.79499817       2.00938437
O       -7.12434000      -1.19035000       6.32954000       0.38743029       0.15195187      -0.08494315
O       12.09072000       2.50099000       0.85427000       1.31120398      -0.25684028      -0.95652651
O       -4.59247000      -0.73436000       5.57971000       1.55957808       2.63926844      -0.60599584
O        9.63433000       1.82229000       1.47462000      -1.11775503       1.15816443      -1.12718044
O       -1.76640000      -0.28351000       4.88734000      -1.72438356       1.05130639       0.63256250
O        6.46239000       1.36316000       2.83902000       0.01945935       0.47465228      -3.32506683
O        0.76552000       0.43003000       4.12726000       1.80961881      -0.85753490       0.04711604
O        3.87278000       0.99489000       3.02635000      -1.22986752      -0.98913310      -0.83592112
Zn      -3.02910000       0.27484000       6.69251000      -0.26036853      -0.50291978      -1.99944142
Zn       7.88852000       0.88559000       1.26512000      -0.54630167      -0.04098569       0.60750681
Zn       9.63878000       1.94073000       3.31515000       0.73383178       0.61774070       2.06929877
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.66673671 magmom=11.9999457 free_energy=-95.66673797 stress="-0.013346219900102539 -0.007428554358792951 0.002680783831345244 -0.007428554358792951 -0.028646164901022626 0.011511513094474434 0.002680783831345244 0.011511513094474434 0.023893996269203334" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.77646000       0.60880000       6.02002000       1.64515334       0.72856933       0.73525642
Cr       3.29562000       0.71719000       0.90149000       0.04404530       0.63678198       1.90067152
Cr       6.96892000       1.41106000       4.62458000      -0.55767252       1.90520287       0.15363947
Cr      -2.44729000      -0.27937000       2.74325000       0.77166011      -0.27172305       0.50828746
O       -7.01023000      -1.00483000       6.27383000      -2.28459751      -2.22984816       0.24046491
O       12.13291000       2.36811000       0.80868000       1.02510919       1.43915696      -0.55465034
O       -4.52298000      -0.61993000       5.67621000      -1.91549278      -0.26032587      -0.90571290
O        9.65388000       1.97686000       1.35843000      -0.80566592      -0.72368726       1.30580724
O       -1.98964000      -0.17226000       4.85593000       1.86606746      -0.17814389      -0.65658959
O        6.51382000       1.49835000       2.68631000       0.39934739      -0.91167385      -0.02782015
O        0.82012000       0.49309000       4.25179000       0.77525164      -1.02704945      -1.05957484
O        3.95297000       0.91611000       2.94652000      -2.21800312      -0.30114570      -0.38701755
Zn      -3.05926000       0.21144000       6.54661000       0.22505248       0.19545364       0.29974547
Zn       7.97787000       0.80287000       1.29264000      -0.57561621       0.09627354      -0.88580058
Zn       2.28502000      -0.88019000       3.46553000       1.60536115       0.90215890      -0.66670655
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.0034784 magmom=11.9997681 free_energy=-96.00360752 stress="0.005698579889051893 0.019325006842591422 -0.001517623437037735 0.019325006842591422 -0.006277778978560913 -0.0005416863588776192 -0.001517623437037735 -0.0005416863588776192 -0.009392681777172517" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.70409000       0.59662000       6.12978000      -0.45262190       0.67845853      -1.63301963
Cr       3.32011000       0.72253000       0.93134000      -1.02775152       0.79647492       1.20604349
Cr       6.95248000       1.48810000       4.64789000       2.23114750       1.97600418      -1.43555522
Cr      -2.39197000      -0.32347000       2.78867000      -0.78979758       0.08610115      -1.92898097
O       -7.21193000      -1.16370000       6.30767000      -0.66137992       0.12855462       0.32492889
O       12.26990000       2.45757000       0.70891000      -0.69471517      -0.00181679       1.58737989
O       -4.76174000      -0.51032000       5.61957000       1.26324154      -1.51390761      -0.44049001
O        9.57671000       2.03559000       1.44090000       0.00046277      -0.89686261       0.43339474
O       -1.87436000      -0.08591000       4.70484000      -0.33289847      -1.60349612       0.39096170
O        6.56306000       1.46371000       2.48961000      -0.40878444      -0.66149813       1.65925192
O        0.99592000       0.40069000       4.24631000      -2.36382103       0.78940031       0.09827861
O        3.76001000       0.78318000       2.78252000       1.46516373       0.67326856       1.78162326
Zn      -3.07630000       0.16346000       6.41651000      -0.17334395      -0.16760172       0.64630263
Zn       8.03159000       0.72616000       1.27892000      -0.13223849       0.06143876      -1.32771575
Zn       2.31258000      -0.75799000       3.58006000       2.07733693      -0.34451806      -1.36240353
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.97551102 magmom=11.9999904 free_energy=-96.97551102 stress="0.002412054551183225 0.024522396575966818 -0.004450952502626857 0.024522396575966818 0.0014997996031175143 0.008035035465423265 -0.004450952502626857 0.008035035465423265 0.0024317879436129646" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64958000       0.61520000       6.13713000      -1.91327389      -1.20306679      -0.56845272
Cr       3.28249000       0.76470000       1.03127000      -1.21212004       0.16929615       0.76971341
Cr       7.02050000       1.61354000       4.59650000       0.99394773      -1.46060536      -1.16894655
Cr      -2.37550000      -0.34939000       2.74587000       0.06196204      -0.17681684      -0.26233999
O       -7.43059000      -1.29957000       6.41546000       1.29007245       0.86923623       0.28463488
O       12.18639000       2.53535000       0.79365000      -0.26620562      -0.65941672      -0.20108264
O       -4.86572000      -0.66513000       5.53986000       1.31957574       0.65313983       0.13911824
O        9.56508000       1.95187000       1.57505000       0.01997312       0.04430651       0.36145404
O       -1.77280000      -0.18957000       4.61922000      -1.81697147       1.07354893       1.46991020
O        6.52145000       1.32075000       2.60208000       0.61514597       0.47437742      -0.28452979
O        0.79965000       0.43518000       4.27930000       0.56186666      -0.15444036      -0.10755715
O        3.85421000       0.79795000       2.88001000       0.17486266       0.43369741       1.00939223
Zn      -3.08662000       0.12990000       6.35123000       0.11463033      -0.32845601       0.13175955
Zn       8.05619000       0.67050000       1.21132000      -0.56443419       0.22181567      -0.77842606
Zn       2.41690000      -0.67533000       3.60360000       0.62096850       0.04338391      -0.79464764
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.0884503 magmom=12.0001551 free_energy=-97.0884503 stress="-0.01105697988599685 0.008859772721506936 -0.0036082117070922125 0.008859772721506936 -0.008896678902281484 0.009841759157692986 -0.0036082117070922125 0.009841759157692986 0.019901161760854474" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52448000       0.57845000       6.10765000       0.38473285      -1.22421643       0.91613964
Cr       3.19558000       0.80137000       1.15544000       0.36899292      -0.94137727       0.27182598
Cr       7.08500000       1.64846000       4.50947000      -2.34934289      -1.21048033       1.38656972
Cr      -2.35276000      -0.36524000       2.70775000       0.32135375       0.39059543       1.53362485
O       -7.36279000      -1.24202000       6.51054000       0.01803470       0.82575725      -0.97238244
O       12.00758000       2.47922000       0.83651000       0.95312037       0.13646892      -0.06300370
O       -4.78691000      -0.73491000       5.53829000      -0.70579702       0.75743191       0.04798482
O        9.57550000       1.90206000       1.72651000      -0.99179796       0.56180027      -0.14124902
O       -1.88184000      -0.14984000       4.74529000       0.92638475       0.32297671      -0.38608128
O        6.54860000       1.28812000       2.66923000       0.62264914       0.84314610      -1.46705725
O        0.72416000       0.44270000       4.31974000       1.74075234      -0.27825482      -0.93763380
O        3.99391000       0.87682000       3.07964000      -1.38420681      -0.51313015      -0.88656895
Zn      -3.09080000       0.09566000       6.30994000       0.03082699      -0.16622131       0.13732154
Zn       8.04951000       0.63390000       1.11746000      -0.56430363       0.36038491      -0.41374187
Zn       2.53663000      -0.61356000       3.58652000       0.62860047       0.13511880       0.97425177
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.04169275 magmom=11.9994481 free_energy=-97.04169275 stress="-0.0016221541097649252 -0.010933601665747139 -0.0032063456196451826 -0.010933601665747139 -0.022532405292478973 0.01809084564941868 -0.0032063456196451826 0.01809084564941868 0.019647572334616857" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43694000       0.48867000       6.12458000       2.78638293       2.29921454       0.09538084
Cr       3.13067000       0.79038000       1.27152000       0.03800509      -0.55033389      -1.83696512
Cr       7.03470000       1.60320000       4.48684000       2.15378254       0.44029430       0.56972778
Cr      -2.30939000      -0.34852000       2.75555000      -0.10722393       0.97947699      -0.44230359
O       -7.26856000      -1.08275000       6.45947000      -2.74705569      -2.54448754       0.29009606
O       11.95301000       2.43145000       0.89259000       0.75454597       0.70691947       0.42922296
O       -4.86460000      -0.66696000       5.58480000       0.49243890      -0.03799960       0.27969532
O        9.45659000       1.94529000       1.79894000       0.02707566       0.08131431      -0.75097074
O       -1.79373000      -0.04381000       4.76142000      -0.29263196      -0.85854309      -0.72346641
O        6.62993000       1.40986000       2.52782000      -0.83490963      -0.40921627       0.14081883
O        0.88745000       0.37655000       4.24927000      -1.21338665       0.17639588      -0.15241494
O        3.94287000       0.88952000       3.05794000       0.35185000       0.15836412       0.26329610
Zn      -3.09983000       0.05985000       6.28206000      -0.54840789      -0.26955678       0.19495821
Zn       8.01579000       0.61337000       1.00621000      -0.10505202       0.41386366       0.20537974
Zn       2.67559000      -0.55153000       3.62275000      -0.75541334      -0.58570609       1.43754496
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.72554825 magmom=12.0000491 free_energy=-96.72554825 stress="0.004229419311222045 0.009851206717845524 -0.005782993260364519 0.009851206717845524 -0.004019987594616136 0.010313815658943362 -0.005782993260364519 0.010313815658943362 0.021263532533004493" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46737000       0.48070000       6.17003000      -1.87692753       0.81658460       0.75573648
Cr       3.06890000       0.74871000       1.28600000       0.28780875       0.83380313      -1.78731470
Cr       7.09085000       1.56887000       4.49700000       1.69943501       0.25720455      -0.86831620
Cr      -2.25920000      -0.25981000       2.78232000      -1.16316229       0.44557575      -1.96930050
O       -7.53688000      -1.25263000       6.40235000       1.46138784       0.36908872       0.91129321
O       11.97660000       2.48980000       1.01256000      -0.51883985      -0.24813227      -1.83148539
O       -4.91870000      -0.61419000       5.72210000       0.94370567      -1.21829815      -0.33084759
O        9.35225000       2.01415000       1.69669000       0.55835300      -0.48334932       0.34987297
O       -1.68379000      -0.10683000       4.59335000      -1.67585699      -0.34818028       1.64683213
O        6.52849000       1.47883000       2.42459000       0.84616931      -0.66967278       0.49087918
O        0.86269000       0.33375000       4.21596000       0.52654108       0.46326802       0.81514620
O        3.94244000       0.94994000       3.02681000      -0.61639640       0.05333473       1.33783211
Zn      -3.13799000       0.00884000       6.26231000       0.55362211      -0.03427286      -0.10916521
Zn       7.96884000       0.60908000       0.88376000       0.20128375       0.45153304       0.86321256
Zn       2.80380000      -0.50825000       3.74613000      -1.22712345      -0.68848688      -0.27437524
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.01924881 magmom=12.0001206 free_energy=-96.01924881 stress="0.005963788926859367 0.0017998505112127524 -0.007697005361270592 0.0017998505112127524 -0.01196889117032858 0.016069851554283775 -0.007697005361270592 0.016069851554283775 0.013638968223795967" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.43028000       0.52916000       6.27177000      -0.59693800      -1.57231418      -0.33386604
Cr       3.01082000       0.74655000       1.18832000      -0.01692413       1.05678155       0.16933887
Cr       7.25602000       1.55372000       4.47743000      -3.41611522      -0.40004674       0.08318104
Cr      -2.26361000      -0.12685000       2.69164000      -2.31874973      -2.33167815       0.64287691
O       -7.61042000      -1.46197000       6.46592000       1.18231160       1.34863620       0.07306431
O       11.87656000       2.52540000       0.85122000       0.83162283      -0.31245982       1.39164038
O       -4.90787000      -0.77179000       5.86616000      -0.23885967       0.76190928      -0.58062737
O        9.39333000       2.01005000       1.60053000      -0.56633359      -0.69984466       0.67066878
O       -1.80347000      -0.28056000       4.61652000       0.89716705       1.24991663       0.14935763
O        6.48987000       1.45407000       2.45614000       1.85580920       1.36272303      -0.17011287
O        0.88698000       0.35803000       4.38273000       1.41618645      -0.38651066      -0.86357122
O        3.84783000       1.06050000       3.16735000      -0.35822290      -0.24572601      -1.11453825
Zn      -3.15519000      -0.05373000       6.23186000       1.11023513       0.31983216      -0.56901220
Zn       7.92400000       0.62680000       0.77279000       0.69469560       0.38753599       1.17085576
Zn       2.89939000      -0.49624000       3.89560000      -0.47588462      -0.53875462      -0.71925574
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.52216191 magmom=11.9996971 free_energy=-95.52216191 stress="0.00418537003532838 0.021229954112684555 -0.007004304546896058 0.021229954112684555 0.000992788522407579 0.014088591792538534 -0.007004304546896058 0.014088591792538534 -0.031965532442002294" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.37173000       0.49447000       6.35198000       2.15974164      -2.54115949      -1.34340113
Cr       2.94044000       0.79391000       1.10382000       0.51383532      -1.08821711       2.85351924
Cr       7.25760000       1.51301000       4.45159000      -1.13837167       0.09120660       0.54409266
Cr       5.49586000      -0.08524000       2.61080000       0.61037645      -0.78348198       1.87751477
O       -7.44479000      -1.39237000       6.53799000      -1.74275891       1.69559062      -1.63784651
O       11.85559000       2.50293000       0.93106000       0.75506244       0.26649397       0.64682272
O       -4.97787000      -0.83967000       5.94286000       1.36920844       1.54845605      -0.00036074
O        9.41690000       1.91362000       1.58519000      -1.75636007       0.87291582      -0.16301333
O       -1.75222000      -0.21137000       4.67051000       0.42191973       0.72828602      -0.89079054
O        6.67139000       1.56014000       2.53431000      -1.31227326      -0.41130852      -0.66921101
O        1.05890000       0.30828000       4.45404000      -1.20523934      -0.13421260      -1.28896612
O        3.66870000       1.12883000       3.08355000       1.17008849      -0.51596919      -0.34489823
Zn      -3.11392000      -0.10260000       6.17083000       0.25625084       0.33551588      -0.34110534
Zn       7.91065000       0.66205000       0.71582000       0.78529267       0.13668541       1.66184168
Zn       2.97321000      -0.51216000       4.02038000      -0.88677277      -0.20080147      -0.90419811
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.01080435 magmom=11.9994575 free_energy=-95.01080435 stress="-0.010061554394640185 -0.03309336299235556 -0.007326642230079907 -0.03309336299235556 -0.034979091382582234 0.019920913322317282 -0.007326642230079907 0.019920913322317282 -0.025152759057161748" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.42797000       0.35829000       6.33408000       0.86317387       4.45010396      -0.59738859
Cr       2.86273000       0.79755000       1.16553000       1.04301676      -0.44046511      -0.29120838
Cr       7.16673000       1.49591000       4.42689000       2.73087363       3.44996444       0.23725016
Cr       5.45523000      -0.09144000       2.65792000       1.36404140      -0.37345074       1.11441365
O        0.39259000      -1.08399000       6.44227000      -1.50793529      -3.67495337       0.59065969
O       11.87827000       2.49873000       1.05153000      -0.91882280       0.23353265      -2.66594123
O       -4.89219000      -0.68266000       6.05263000       0.67356231      -1.25634132      -0.74333635
O        9.26186000       1.96044000       1.50159000      -0.32498597       0.63410654       0.13601640
O       -1.61314000      -0.02116000       4.57193000      -3.15816507      -3.09618604       0.54600538
O        6.59759000       1.58598000       2.55525000      -1.40553133      -0.62229603      -1.27159737
O        1.01210000       0.22473000       4.35539000       0.26500784       0.95023231       0.06163978
O        3.64913000       1.08291000       2.92111000       0.59275697      -0.43586919       2.81582344
Zn      -3.03431000      -0.13128000       6.08319000       0.93757484       0.64186861       0.48917026
Zn       7.93106000       0.70149000       0.73993000       0.09025239      -0.22068215       0.81658747
Zn       3.01199000      -0.54450000       4.10166000      -1.24481954      -0.23956456      -1.23809433
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.05401541 magmom=12.0004974 free_energy=-95.05412257 stress="-0.005755655475359188 -0.018682906410813608 0.006182560481411813 -0.018682906410813608 -0.01762776536827618 0.011284932556918759 0.006182560481411813 0.011284932556918759 -0.02359332340720672" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51650000       0.39271000       6.26728000      -2.34075659       1.13095373      -0.85719668
Cr       2.83211000       0.78392000       1.24190000       1.35338979       1.69108213      -1.75634131
Cr       7.16168000       1.61976000       4.40698000      -0.23802400      -0.96450913       0.61770381
Cr       5.49116000      -0.13121000       2.76105000      -3.34372334      -1.83842594      -2.51868429
O       -7.60312000      -1.22377000       6.40124000       1.36393710      -0.01865093      -0.46694424
O       11.71390000       2.53494000       0.77160000       0.41996982      -0.17089607       3.81533304
O       -4.77455000      -0.70759000       6.06411000      -0.57420904      -0.91445933      -0.91271813
O        9.12293000       2.14371000       1.43174000       0.13243636      -1.19499925       1.23536573
O       -1.81655000      -0.17473000       4.53176000       1.79234494       0.79939237       0.48158464
O        6.26961000       1.48338000       2.43210000       2.80290636       0.92269293      -0.19788687
O        0.93754000       0.31483000       4.28994000       0.46061262       0.73084011      -0.25083774
O        3.71451000       0.93822000       3.13955000      -0.39293211       0.57080634      -0.38439530
Zn      -2.90219000      -0.12646000       6.02075000      -0.16617992       0.41112676       2.39335059
Zn       7.95637000       0.72334000       0.80769000      -0.41608910      -0.55445660      -0.39771966
Zn       2.99493000      -0.59192000       4.11791000      -0.85368289      -0.60049713      -0.80061359
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.89437916 magmom=12.000091 free_energy=-95.89448326 stress="-0.011536063895858841 -0.0038692979098050766 0.011274459086152709 -0.0038692979098050766 -0.003541191505570121 0.007942850329226325 0.011274459086152709 0.007942850329226325 0.008347949549608108" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.47202000       0.49261000       6.20021000      -0.84710264      -1.78906977       1.20465362
Cr       2.86482000       0.84414000       1.21605000      -0.86969097      -0.02943441      -0.00537121
Cr       7.16597000       1.70224000       4.41880000       0.35777733      -1.77237520      -1.20217190
Cr      -2.46849000      -0.24394000       2.71905000      -0.06546830       0.11421169      -0.81996883
O       -7.46637000      -1.37314000       6.31517000       0.01508104       1.48374417       1.06614436
O       11.64402000       2.52484000       0.99950000       1.47177256       0.12035412      -0.86194736
O       -4.82735000      -0.86070000       5.95207000       0.48635376       1.78635549       0.35743677
O        9.11317000       2.16673000       1.57265000       0.62485639      -0.61630533       0.36173838
O       -1.72533000      -0.20699000       4.51417000      -0.15316604       1.72832121       0.21115896
O        6.32644000       1.46097000       2.32602000       0.65451791      -0.36127407       0.51602286
O        0.92291000       0.49707000       4.24996000       0.44777619      -0.47311517       0.08123174
O        3.71791000       0.91361000       3.25153000      -0.08455288       0.52315468      -1.14519833
Zn      -2.79159000      -0.09931000       6.07798000      -0.73849416       0.09882127       1.45774792
Zn       7.96035000       0.71137000       0.85663000      -0.44726574      -0.38429187       0.12922055
Zn       2.93123000      -0.66470000       4.08049000      -0.85239445      -0.42909682      -1.35069754
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.30830131 magmom=11.9995679 free_energy=-96.30830131 stress="-0.004975320021846121 -0.009710846555875546 0.002200391619894994 -0.009710846555875546 -0.01799550167921162 0.015010413725792399 0.002200391619894994 0.015010413725792399 0.016861458961066875" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.40415000       0.50762000       6.19871000       2.54290090       0.07058540       0.96201293
Cr       2.86678000       0.89531000       1.18753000       0.11728216      -1.35816954       0.49733604
Cr       7.18218000       1.68357000       4.37736000       0.32009066       0.57773944      -0.99630371
Cr      -2.53640000      -0.33442000       2.64307000       3.05901664       1.63190783       1.77597660
O       -7.34943000      -1.20491000       6.38052000      -2.20687204       0.42113301       0.47614028
O       11.74866000       2.52075000       1.02714000      -0.35323060       0.38230028      -2.78837078
O       -4.85971000      -0.73957000       5.93073000       0.57253026       0.78867828      -0.24566969
O        9.26016000       2.08359000       1.75459000       0.02398485       0.08612918      -0.35273281
O       -1.59741000       0.04519000       4.50786000      -1.96999081      -1.40454286       0.73022507
O        6.46498000       1.38998000       2.34778000      -0.61057039       0.08815871       0.20496754
O        0.95746000       0.55122000       4.27017000       0.10121213      -0.86150233      -0.16393418
O        3.70172000       0.97778000       3.10785000      -0.02651501      -0.67658798      -0.05634019
Zn      -2.73249000      -0.06632000       6.20728000      -0.68845538       0.12159474      -0.22581021
Zn       7.94459000       0.67722000       0.91171000      -0.38651308      -0.03127773       0.86146364
Zn       2.82946000      -0.75213000       3.97774000      -0.49487029       0.16385355      -0.67896054
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.2455087 magmom=11.9998149 free_energy=-96.2455087 stress="0.020838515808156776 -0.0049426677728238635 0.0014845886708871891 -0.0049426677728238635 -0.0023288196704162024 0.017085278142638095 0.0014845886708871891 0.017085278142638095 -0.005580988696199555" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46762000       0.52633000       6.24094000       0.03138518       1.90158011      -1.52373504
Cr       2.87644000       0.86957000       1.18229000       1.88430918      -0.79752415      -1.29668431
Cr       7.19451000       1.67049000       4.29630000      -1.13218536       0.09930497       1.83808825
Cr      -2.44159000      -0.32704000       2.64006000      -0.67457778       0.66352730       0.01625583
O        0.30807000      -0.99145000       6.49031000      -0.03215374      -1.41665540      -1.63249079
O       11.80199000       2.55922000       0.73500000       0.43705593       0.07193242       4.05070408
O       -4.81571000      -0.50090000       5.88638000       0.49859645      -1.14996839      -0.89698297
O        9.42110000       2.04346000       1.83650000      -1.75740257       0.39919096       0.12501671
O       -1.75986000       0.07752000       4.60339000       0.26329899      -1.26306480      -0.69759208
O        6.44860000       1.34439000       2.43588000       0.61877924       0.59504036      -0.46368572
O        0.96777000       0.44917000       4.29992000      -0.48793504       0.27050111      -0.77740525
O        3.72892000       0.94816000       2.93061000       0.90889828      -0.14587725       1.08658373
Zn      -2.72004000      -0.03081000       6.31073000      -0.94574314       0.15605580      -0.32640471
Zn       7.91588000       0.64257000       0.99584000      -0.05169080       0.27607226       0.45141393
Zn       2.72323000      -0.81763000       3.85418000       0.43936517       0.33988470       0.04691833
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.82813668 magmom=11.9995641 free_energy=-96.82813668 stress="0.03648009148380653 0.010913705950389561 0.0037701339612507224 0.010913705950389561 0.018800810521725973 0.012504505102562536 0.0037701339612507224 0.012504505102562536 0.019562273948517724" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54173000       0.62673000       6.23548000      -1.28076240       0.20901140      -0.84932337
Cr       2.96729000       0.81320000       1.13267000       0.28252220       0.45039843       0.55078993
Cr       7.12802000       1.66029000       4.32348000      -0.99976986      -0.95839613       2.16217866
Cr      -2.37325000      -0.27522000       2.64711000      -1.28216441      -0.19205350       0.91056191
O        0.22896000      -1.02722000       6.36654000       1.81467320      -0.26059363       0.46471954
O       11.87733000       2.57099000       0.92774000       0.03338049      -0.48128232      -2.09286320
O       -4.79806000      -0.47891000       5.72415000      -0.13446153      -0.95855269       0.12033395
O        9.35973000       2.06197000       1.83493000      -0.01127532      -0.40334816      -0.78648675
O       -1.82526000      -0.13621000       4.56613000       0.66928591       0.57152826       0.13788411
O        6.49953000       1.41208000       2.46424000       0.74253751       0.18289824      -0.76404159
O        0.86668000       0.41316000       4.25838000       0.55985989       0.80994484      -0.03820314
O        3.87934000       0.90573000       2.91052000      -0.72370328       0.40698385       0.83844715
Zn      -2.75557000       0.00960000       6.37755000      -0.57371725      -0.02313824      -0.79389243
Zn       7.88932000       0.62207000       1.09037000       0.27253491       0.30281349       0.11529567
Zn       2.65576000      -0.85475000       3.74989000       0.63105995       0.34378616       0.02459955
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.84209312 magmom=12.0000888 free_energy=-96.84209312 stress="-0.002863372115434628 0.0230703642782802 0.012826308837123684 0.0230703642782802 0.0012475931829550263 0.007915887727576058 0.012826308837123684 0.007915887727576058 0.025805760365767535" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.55345000       0.72701000       6.15731000      -0.04009937      -2.74971080      -1.07823800
Cr       3.08858000       0.77580000       1.10946000      -0.59046532       0.55098340       0.08053701
Cr       7.01516000       1.59191000       4.48082000       2.69863119      -0.46700034      -0.41244316
Cr      -2.37514000      -0.22683000       2.69026000      -0.10310592      -0.39066450      -0.80399685
O       -7.32487000      -1.11689000       6.32969000      -1.22570035       0.49082316       1.24641724
O       11.93029000       2.49511000       0.84782000       0.58249486       0.31755377      -0.05924882
O       -4.85830000      -0.62521000       5.60429000       1.21322379       1.46545391       0.07810229
O        9.34821000       2.03263000       1.65396000       1.03580895      -0.17295638       0.20406025
O       -1.76040000      -0.21515000       4.52323000      -1.68257933       1.85568416       1.65813747
O        6.62116000       1.52025000       2.42864000      -1.01181563      -0.26708615       0.56937894
O        0.79855000       0.49676000       4.23706000       0.45359756      -0.56915668      -0.00612420
O        3.93589000       0.94756000       3.00465000      -1.00349117       0.12122164      -0.30339046
Zn      -2.83242000       0.05333000       6.40811000      -0.83417211      -0.34895791      -0.59374853
Zn       7.87895000       0.60976000       1.19189000       0.52998492      -0.09073842      -0.52965577
Zn       2.61544000      -0.87463000       3.64257000      -0.02231206       0.25455116      -0.04978742
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.80090609 magmom=12.0006411 free_energy=-96.80090611 stress="-0.003971328752021695 0.008535286673432903 0.0032201125787392343 0.008535286673432903 -0.004544547982708899 0.007441928508510166 0.0032201125787392343 0.007441928508510166 0.029566437885198235" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.57815000       0.67998000       6.01766000       1.49819461      -1.39760185       1.52173059
Cr       3.19519000       0.77082000       1.09360000       0.36831425       0.45204657      -0.48750966
Cr       7.01523000       1.51679000       4.63601000       0.84778133       2.80665902      -0.76249629
Cr      -2.39464000      -0.19703000       2.71129000      -0.41344360       0.11729232      -0.11710278
O       -7.20527000      -1.11519000       6.47927000      -2.02670996       0.11728430      -1.98375336
O       12.03352000       2.47839000       0.70394000       1.01744638       0.60595943       2.01273771
O       -4.78603000      -0.58153000       5.54207000       0.16263167       0.33336549      -0.45643468
O        9.55159000       1.97430000       1.49267000      -0.85779804      -0.13705135       1.22715820
O       -1.87420000      -0.01911000       4.72820000      -0.05273312      -1.61427909      -0.11278076
O        6.54867000       1.56983000       2.52594000      -0.10658087      -0.55393346       0.70238134
O        0.79998000       0.48980000       4.25124000      -0.20961069      -0.62985378      -0.84371520
O        3.85059000       1.01810000       2.99958000       0.15071501      -0.36065611      -0.29128589
Zn      -2.95571000       0.08590000       6.40892000      -0.94044830      -0.29687512       0.22998562
Zn       7.89360000       0.59150000       1.26652000       0.19407706       0.27464267      -0.94962955
Zn       2.57924000      -0.87994000       3.52775000       0.36816427       0.28300098       0.31071472
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.50964195 magmom=11.9980949 free_energy=-96.50964195 stress="-0.004951467383189518 0.015529747124618635 -0.013046958904919255 0.015529747124618635 0.005628527050592699 0.005256910830339337 -0.013046958904919255 0.005256910830339337 -0.0034580515144663386" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.67916000       0.54968000       5.96371000      -1.36502801       1.42020880       1.49102382
Cr       3.30821000       0.79370000       1.03986000      -0.49941023       0.16782345      -0.31880452
Cr       7.03950000       1.56860000       4.72343000      -1.90172401       0.60267457      -3.05603148
Cr      -2.42549000      -0.16899000       2.73402000       0.17748023      -0.36493449       1.84214854
O        0.47502000      -1.07180000       6.37783000       2.39613803      -0.03293236       1.75234006
O       12.22800000       2.56881000       0.85576000      -0.44849680      -0.37081723      -1.60774041
O       -4.74029000      -0.50769000       5.43838000      -0.07171082      -1.65996933      -0.28363877
O        9.65649000       1.92386000       1.52633000      -1.17226619       0.44921970      -0.31772328
O       -1.90699000      -0.02303000       4.88723000       0.66025483      -0.76391590      -0.47367389
O        6.42006000       1.51292000       2.76274000       1.16719439       0.01689165      -0.69322514
O        0.78883000       0.38842000       4.20395000       0.52694940       0.31609218       0.03031041
O        3.81562000       1.01722000       2.89271000       0.15671670      -0.41197152       0.82478825
Zn      -3.11472000       0.10871000       6.42240000       0.18600926      -0.03848953       0.61104445
Zn       7.91432000       0.58216000       1.28910000      -0.07005959       0.47276652      -0.73629752
Zn       2.56280000      -0.87006000       3.43541000       0.25795281       0.19735350       0.93547948
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.50859501 magmom=12.0001382 free_energy=-96.50859501 stress="-0.005399533751578757 0.011624958620791779 -0.007848878779494922 0.011624958620791779 -0.011424112137437575 0.010550041837185196 -0.007848878779494922 0.010550041837185196 -0.0008936221022156111" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.72179000       0.49066000       5.99417000      -0.71272243       1.30109639      -0.21205855
Cr       3.38948000       0.83540000       0.97502000      -1.31412945       0.13721321       1.77064111
Cr      -0.32910000      -1.25302000       4.66550000       2.87727886      -1.62507589       0.66315907
Cr      -2.43341000      -0.17019000       2.84818000       0.54181637      -1.69903288       0.39268889
O       -7.14801000      -1.07450000       6.42773000      -0.47370844      -1.25802390      -1.20661254
O       12.28714000       2.59678000       0.81673000      -0.16919971      -0.44372739      -0.20228056
O       -4.78000000      -0.73181000       5.32928000       1.15826055       0.33989618       0.74631842
O        9.57214000       1.95360000       1.48393000       0.09201779       0.05819482      -0.42944071
O       -1.77139000      -0.14626000       4.91958000      -2.34619389       1.55038439       0.20436030
O        6.44726000       1.44182000       2.86823000       0.39776163       0.68605456      -2.16754176
O        0.84575000       0.34820000       4.20956000      -0.17342981       0.36760122      -0.05622920
O        3.85491000       0.94075000       2.88655000      -0.42978750       0.47957993       0.70080867
Zn      -3.27503000       0.13264000       6.46729000       0.47842027      -0.44527577      -0.24422825
Zn       7.93438000       0.59529000       1.26758000       0.26835066       0.51359890      -0.50736130
Zn       2.56031000      -0.84832000       3.39548000      -0.19473491       0.03751623       0.54777639
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.87896767 magmom=12.001392 free_energy=-95.87896777 stress="-0.003057598592066536 -0.0035212945107031737 -0.00868908506669429 -0.0035212945107031737 -0.017429223662030858 0.01190632518434512 -0.00868908506669429 0.01190632518434512 0.022942517312258614" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.73132000       0.48498000       6.01578000       1.73163854      -2.16752507      -0.41630197
Cr       3.40302000       0.89204000       0.99313000      -1.33198534      -1.41582237       0.61953207
Cr      -0.29909000      -1.22678000       4.59273000       1.55887391      -1.12802623       0.80676341
Cr      -2.39842000      -0.25952000       3.01645000       0.23403730       0.18273961      -1.94925529
O       -6.90764000      -1.27008000       6.37741000      -4.16003394       1.52193994      -0.05678314
O       12.21157000       2.52415000       0.72641000       0.76402832       0.54127319       1.30909944
O       -4.64146000      -0.93671000       5.35672000       0.49087987       2.01349990      -0.08084907
O        9.51489000       2.01019000       1.33246000       0.84095583       0.03087458       1.14036854
O       -1.88139000      -0.04871000       4.91385000       0.64105746       0.22730098      -0.43873763
O        6.54146000       1.45632000       2.65163000      -0.44609414      -0.13764598       0.91287405
O        0.88005000       0.36091000       4.25757000      -0.46415162       0.09651344      -1.23799596
O        3.88296000       0.91987000       2.99139000      -0.57807441       0.12472246      -0.10498094
Zn      -3.44379000       0.14631000       6.51432000       0.89005615      -0.18459073      -0.05434806
Zn       7.97199000       0.63698000       1.20578000      -0.07510896       0.30069616      -0.63625880
Zn       2.54983000      -0.81754000       3.38449000      -0.09607895      -0.00594988       0.18687334
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.4067248 magmom=12.0003192 free_energy=-95.40672481 stress="0.011660175093974259 -0.024509656863169228 -0.03033690640531908 -0.024509656863169228 -0.003221079001529268 0.0028923688561165654 -0.03033690640531908 0.0028923688561165654 0.011754868542892672" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.79662000       0.40239000       6.01675000      -2.56558492       0.26909698      -0.02567067
Cr       3.34216000       0.87918000       1.06651000      -0.29852577      -1.17995833      -0.63477068
Cr       7.13343000       1.63553000       4.55505000      -0.81675206       0.17840259      -1.09590743
Cr      -2.34189000      -0.35571000       3.09577000      -0.47140603       1.29122904      -3.79836049
O       -7.24432000      -1.30268000       6.27140000       2.10049668       0.75974632       1.91704790
O       12.16606000       2.50219000       0.80324000       0.64796181       0.49873836      -0.71474165
O       -4.51126000      -0.86411000       5.40952000      -2.35397805      -0.60055805      -0.48381999
O        9.62806000       2.06003000       1.38840000      -0.70666233      -0.46817258       0.77740080
O       -1.87627000       0.14336000       4.79367000       1.03571460      -1.42874180       1.72263998
O        6.54868000       1.44120000       2.56489000      -0.08240710      -0.41824733       1.17095091
O        0.86728000       0.38499000       4.14948000       1.28334199       0.31196455      -0.07116653
O        3.85742000       0.92817000       3.05095000      -0.42857164      -0.60441347      -0.26495983
Zn      -3.58368000       0.16832000       6.57615000       2.73494764       0.96181294       1.13051051
Zn       8.01522000       0.70342000       1.09971000      -0.35279943       0.46146360      -0.05856808
Zn       2.53262000      -0.78037000       3.37955000       0.27422460      -0.03236280       0.42941525
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.72719819 magmom=11.9996249 free_energy=-95.72719819 stress="-0.020039191031241393 -0.004420783057278275 -0.014320328515681211 -0.004420783057278275 -0.029039861889114393 0.009060307266718045 -0.014320328515681211 0.009060307266718045 0.002452475207157885" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.72923000       0.31996000       6.02477000      -3.15392479       2.41625857       0.87817313
Cr       3.26934000       0.79896000       1.10741000       1.27474850       0.15533487      -1.07532387
Cr       7.24347000       1.57671000       4.49175000      -0.82059979       0.92223488       0.88651756
Cr      -2.30303000      -0.37620000       2.98136000      -1.05385054       0.94467097      -0.84085016
O       -7.32478000      -1.12550000       6.42002000       0.79910999      -1.00354140      -0.53384769
O       12.16186000       2.52842000       0.77385000       0.30803274      -0.59545277       0.09916257
O       -4.80920000      -0.85716000       5.42986000       2.19776378       0.15933483       0.80710580
O        9.64799000       2.00061000       1.56411000      -1.65914848      -0.62139883      -1.57828357
O       -1.61981000       0.02856000       4.80905000      -0.55914196      -1.98925025       0.10634312
O        6.50019000       1.33589000       2.71977000       0.90058831       0.07924573      -1.42040573
O        1.02015000       0.44525000       4.03680000      -0.60305216      -0.67684162       1.04978833
O        3.84158000       0.86435000       3.01020000       0.62139825      -0.05827337       0.30599587
Zn      -3.61948000       0.23709000       6.68607000       0.51082174      -0.66238199      -1.19056524
Zn       8.05226000       0.80469000       0.97921000       0.35170187       0.95147564       1.05209861
Zn       2.52879000      -0.74022000       3.41127000       0.88555255      -0.02141526       1.45409127
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.99099729 magmom=12.0000244 free_energy=-95.99099729 stress="-0.06151408319189475 0.010996049893177921 -0.009804618670665852 0.010996049893177921 -0.04293295093499345 -0.004102514607108665 -0.009804618670665852 -0.004102514607108665 -0.005180259880371861" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.54087000       0.38004000       6.07336000       0.68799766       2.34264446       0.51365979
Cr       3.26625000       0.73086000       1.09467000       0.20531605      -0.11449721      -0.01183812
Cr       7.27340000       1.53529000       4.47170000       0.06454979      -2.15766207       0.41174863
Cr      -2.29753000      -0.34956000       2.82337000       0.53757442      -1.11581015       0.65035595
O       -7.24824000      -1.16423000       6.48515000      -1.21551240      -2.10916899      -1.29889533
O       12.13538000       2.44038000       0.75719000       0.23139110      -0.12440683       1.02798927
O       -4.86684000      -0.81252000       5.59249000       1.61344443       0.54462594       0.18455751
O        9.51614000       1.87078000       1.50647000       1.73697838       1.11971625       0.84566631
O       -1.43714000      -0.33802000       4.77938000      -2.96364724       2.39155257      -0.21912161
O        6.54470000       1.26979000       2.70152000       0.75228931       0.79122068      -1.75111008
O        1.04133000       0.39818000       4.14690000      -0.10435507      -0.46540622      -0.07385896
O        3.94131000       0.80303000       2.96703000      -0.69731769       0.08047533       0.34435508
Zn      -3.62079000       0.27818000       6.74734000      -0.68064113      -0.59574271      -1.50650426
Zn       8.08773000       0.93305000       0.90232000      -0.96463215      -0.32863640       0.60448813
Zn       2.56763000      -0.70729000       3.49775000       0.79656454      -0.25890464       0.27850769
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.66190235 magmom=11.9988115 free_energy=-96.66190235 stress="-0.04192595405396644 0.024034210860455967 -0.012144635583487851 0.024034210860455967 -0.022255027583785354 -0.001180963562591014 -0.012144635583487851 -0.001180963562591014 -0.007342180236112955" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46073000       0.51579000       6.14241000       3.02120049      -2.38069337      -0.00566268
Cr       3.27806000       0.67800000       1.08483000      -0.24593883      -0.05926104       0.61370506
Cr       7.22620000       1.41825000       4.47264000      -1.88269221      -0.12141996      -1.08329140
Cr      -2.25492000      -0.36905000       2.73894000       0.61885641      -0.38526519       0.42315153
O       -7.35803000      -1.42592000       6.35911000      -1.09810984       2.17552867       1.12550327
O       12.09998000       2.34366000       0.85635000       0.81066224       0.68498532      -1.16029146
O       -4.75317000      -0.72985000       5.72864000      -1.51218142      -0.80081639      -0.98401676
O        9.69085000       1.91650000       1.56452000      -1.15682475      -0.63523608       0.39205937
O       -1.60748000      -0.30648000       4.63140000      -0.21317753       0.43767001      -0.27262644
O        6.65070000       1.31595000       2.48476000       0.05437677      -0.16192927       0.17862134
O        1.00271000       0.27756000       4.27480000       0.42899242       0.14473587      -0.76957752
O        3.95722000       0.77694000       2.95631000      -0.27491204       0.28365742       0.36114147
Zn      -3.63865000       0.29256000       6.73775000       0.68341385       0.78712629      -0.40792352
Zn       8.08009000       1.02055000       0.87247000       0.21491679       0.23895103       1.23259283
Zn       2.63738000      -0.69334000       3.57613000       0.55141764      -0.20803329       0.35661490
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.59031773 magmom=11.9984779 free_energy=-96.59031773 stress="-0.005376877510357441 0.000312523877517312 -0.016323019947040288 0.000312523877517312 -0.02228493691424111 0.012702613410897177 -0.016323019947040288 0.012702613410897177 -0.027276427787455083" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52113000       0.51281000       6.18796000      -2.14658723      -2.05207622      -1.72536220
Cr       3.27491000       0.64027000       1.11610000      -0.07169209       0.44723438      -0.08270245
Cr       7.09294000       1.32148000       4.42935000       1.83483902       2.76306774       0.30159586
Cr      -2.18405000      -0.40268000       2.68247000      -1.47501260       0.05886545      -1.93732860
O       -7.49422000      -1.33182000       6.38600000       1.06801668       0.25201976       0.60117279
O       12.15147000       2.36205000       0.77549000       0.27719749       0.05060861       0.50424471
O       -4.89210000      -0.78220000       5.69098000       1.40960655       0.95999738       0.07718958
O        9.72090000       1.87352000       1.67754000      -1.12875522      -0.32704022      -0.18757272
O       -1.77118000      -0.19717000       4.45661000       0.08830333      -2.11904725       2.00408100
O        6.68239000       1.30897000       2.39067000      -0.02621214      -0.25809821       0.64286287
O        0.99193000       0.21863000       4.29267000      -0.73225416       0.43502501      -0.41577435
O        3.96634000       0.80872000       2.96036000       0.44803647      -0.07886364       0.13934973
Zn      -3.63431000       0.33785000       6.70062000       0.11676853       0.00448133      -0.83288184
Zn       8.07922000       1.09080000       0.90339000       0.43804251       0.16424420       0.83935214
Zn       2.71808000      -0.69541000       3.65578000      -0.10029715      -0.30041831       0.07177349
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.61490142 magmom=12.000026 free_energy=-96.61490142 stress="-0.024975118592118706 0.011555649470627953 -0.026004539068355877 0.011555649470627953 -0.014029459148378057 0.0028268547369880584 -0.026004539068355877 0.0028268547369880584 -0.019617497934969245" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48516000       0.38437000       6.12779000      -1.52739988       1.51542291      -0.48703831
Cr       3.25808000       0.62844000       1.16248000       0.37039693       0.29092961      -0.36488279
Cr       7.01152000       1.35553000       4.40341000       1.04533449       0.21978794       1.28408950
Cr      -2.17262000      -0.43259000       2.54018000      -1.00478193      -0.11237719       1.72711473
O       -7.38373000      -1.16203000       6.52880000      -0.63966990      -1.95007359      -0.80994575
O       12.20094000       2.40557000       0.73847000      -0.55711543      -0.33276654       0.31693860
O       -4.89608000      -0.75125000       5.65647000       1.39509907      -0.36307602       0.12581453
O        9.63271000       1.77930000       1.76849000       1.31862170       1.11897026       0.43837343
O       -1.81187000      -0.40424000       4.51385000      -0.09365683       0.88755810       0.14328279
O        6.63294000       1.23293000       2.48766000       1.03488466       0.47776007      -0.97065966
O        0.81819000       0.25978000       4.26490000       0.62443750      -0.39612100      -0.11600574
O        4.07474000       0.82601000       2.92570000      -0.93647123      -0.90069495       0.26350795
Zn      -3.61202000       0.40607000       6.62211000       0.50351134       0.06390155      -0.32961176
Zn       8.08988000       1.16948000       0.97610000      -1.20148148      -0.42273010      -0.19947700
Zn       2.80421000      -0.71581000       3.74414000      -0.33170902      -0.09649105      -1.02150054
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.77408823 magmom=12.0002406 free_energy=-95.77408823 stress="-0.04421341362142038 0.021800490149806086 -0.018313813308141365 0.021800490149806086 -0.02897489004478176 -0.0072885623772048 -0.018313813308141365 -0.0072885623772048 -0.026842687754690772" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.34868000       0.28804000       6.00702000       2.43612195       1.05985189       2.36614931
Cr       3.25081000       0.63850000       1.20108000       0.36757646       0.02949425      -0.80928084
Cr       6.98034000       1.42544000       4.44118000       0.50702010      -1.95175828       0.52557157
Cr      -2.21091000      -0.47559000       2.45966000       0.40369042      -0.24082080       3.23537252
O       -7.29669000      -1.35326000       6.54956000      -1.92390206      -0.46544531      -1.56315471
O       12.09102000       2.37077000       0.76350000       0.19716314      -0.42887894      -1.43342429
O       -4.69638000      -0.75917000       5.65827000      -1.36687597      -0.83700832      -0.07507655
O        9.79419000       1.88226000       1.92830000      -1.95290413      -0.46538385      -0.77451957
O       -1.83493000      -0.50725000       4.62241000      -1.32514726       2.13418319      -0.36477885
O        6.65811000       1.20441000       2.51809000       0.06187313       0.32803177      -0.97528134
O        0.67323000       0.23764000       4.25486000       1.34886283      -0.46815054      -0.65906298
O        4.08747000       0.69073000       2.89078000       0.16141647       0.67844792       1.03291106
Zn       4.31106000       0.51265000       6.50751000       0.94269529       0.61554420       0.18683080
Zn       8.04991000       1.24736000       1.05837000       0.09276016       0.07811783       0.00548017
Zn       2.89942000      -0.75031000       3.80207000       0.04964948      -0.06622504      -0.69773631
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.08694523 magmom=12.0001161 free_energy=-96.08694523 stress="-0.01241683858179539 -0.0032642889629662486 -0.00492821035926578 -0.0032642889629662486 -0.012476025483394697 0.011256094001044109 -0.00492821035926578 0.011256094001044109 0.004042769340102956" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.32868000       0.24527000       5.99416000       1.61100695      -0.80757199       0.82313866
Cr       3.25437000       0.64655000       1.19457000      -1.48450928      -1.17759320      -0.83197412
Cr       6.95625000       1.40283000       4.50112000      -0.17876089      -0.86603040      -1.23507653
Cr      -2.22927000      -0.52636000       2.55773000       0.42723237       1.00846771       0.97838242
O       -7.54108000      -1.66622000       6.32127000       0.25820967       2.04230833       1.40495753
O       11.97069000       2.25054000       0.63217000       1.19578584       0.84973366       0.87409722
O       -4.70609000      -0.93594000       5.68560000      -0.87271536      -0.27446679       0.37251743
O        9.72471000       1.93355000       1.93775000      -0.34385613      -0.85099887      -0.42744073
O       -1.95943000      -0.25359000       4.62600000       0.40476467      -0.88608191      -0.43499679
O        6.61406000       1.22464000       2.45285000      -0.38354853      -0.35222800       0.45528968
O        0.71878000       0.10256000       4.19296000       0.39746981       0.63034886      -0.19193502
O        4.12204000       0.66565000       2.95087000      -0.83415119       0.90425733      -0.29871002
Zn       4.42884000       0.66774000       6.38715000       0.32690337      -0.05122010       0.24731378
Zn       8.00483000       1.33302000       1.13707000       0.20442336       0.06226586      -0.91452869
Zn       3.00380000      -0.79624000       3.82801000      -0.72825466      -0.23119048      -0.82103483
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.03959748 magmom=11.998842 free_energy=-96.03959748 stress="-0.004343095567407246 -0.03200000982688163 -0.007980625065927813 -0.03200000982688163 -0.031103837394105112 0.012359431527662947 -0.007980625065927813 0.012359431527662947 0.002043341419103549" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.38877000       0.16994000       6.04177000      -1.00148738      -0.76250272       0.06804776
Cr       3.19274000       0.59903000       1.14349000      -0.42392663      -0.46013921      -0.80834052
Cr       6.94189000       1.34304000       4.48690000       2.20298865       1.10376386      -0.98708153
Cr      -2.22949000      -0.50625000       2.70020000      -1.81258373       1.05600921      -2.26222352
O       -7.65033000      -1.58288000       6.30956000       1.71823112       0.51080627       1.62551339
O       11.99892000       2.24685000       0.66988000       0.21754251       0.30546000       0.98180249
O       -4.87276000      -1.13980000       5.75849000       0.78454696       1.08252157      -0.89458063
O        9.64592000       1.84101000       1.83958000       0.73519153       0.10791226       0.29791856
O       -1.96886000      -0.20372000       4.54476000      -0.38092285      -2.10538552       1.68193532
O        6.49748000       1.19085000       2.48817000       1.56115405       0.31057511      -0.20389907
O        0.78075000       0.05932000       4.16774000      -0.34052276       0.34627260       0.41752993
O        4.02133000       0.78731000       2.92631000      -0.97411483      -0.96124007       0.59945798
Zn       4.54495000       0.80663000       6.29875000      -0.03601351      -0.02946034       0.80810114
Zn       7.96633000       1.40549000       1.16134000      -1.04431009      -0.17753447      -0.99619469
Zn      -4.80050000      -0.84844000       3.81615000      -1.20577304      -0.32705854      -0.32798661
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.45371726 magmom=11.9998963 free_energy=-96.45371726 stress="-0.016465121009460182 -0.017099410049012245 0.006624279503404922 -0.017099410049012245 -0.03083663758951288 0.002089320638275538 0.006624279503404922 0.002089320638275538 -0.004880430595782665" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.41346000       0.08546000       6.10009000       1.42001681       2.42311899       0.69186050
Cr       3.12456000       0.53320000       1.07497000       1.34820531       0.42776845       1.75443169
Cr       7.03888000       1.32823000       4.43748000       0.39392331      -0.65440704       1.54104639
Cr      -2.31717000      -0.43707000       2.71578000      -1.22431460      -0.95505590      -1.10206123
O       -7.42411000      -1.42751000       6.50263000      -1.45558438      -2.26145163      -1.73509690
O       12.02624000       2.28619000       0.84612000       0.47702590      -0.26135236      -0.53085490
O       -4.93292000      -1.15049000       5.68633000       1.04337105       0.57921334      -0.28589454
O        9.69696000       1.77912000       1.76684000      -1.97399300       0.09823554       0.14813230
O       -1.94555000      -0.49034000       4.67800000       0.29008709       0.58176107       0.12714101
O        6.56097000       1.21481000       2.54869000      -0.51283000       0.37799832      -0.08146142
O        0.72653000       0.07500000       4.27598000       0.08760940      -0.00213929      -0.49622876
O        3.81256000       0.75754000       2.95171000       1.60280355      -0.34970642       0.55967733
Zn       4.64321000       0.92675000       6.26127000      -0.18897685       0.15486005       0.42791027
Zn       7.89174000       1.45983000       1.12795000      -0.11302840       0.04787191      -0.97058078
Zn      -4.81369000      -0.90879000       3.78700000      -1.19431521      -0.20671501      -0.04802094
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.57008447 magmom=12.0000892 free_energy=-96.57008447 stress="-0.03218319765161312 0.014140971579454969 0.007202381872379399 0.014140971579454969 -0.013674688561527162 -0.015642661161467872 0.007202381872379399 -0.015642661161467872 -0.001391506517481696" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.50056000       0.12014000       6.17597000       0.79551346       0.78518892      -0.71888297
Cr       3.12223000       0.49700000       1.10309000       0.05159543       0.45610601       0.89142146
Cr       7.14109000       1.29179000       4.46475000      -2.01264645      -0.72789301       1.40312990
Cr      -2.43783000      -0.42081000       2.66830000       2.74288155      -1.09691692       1.86909299
O       -7.33928000      -1.59972000       6.46033000      -0.54619867       0.45383869       0.12964191
O       12.05363000       2.26100000       0.89426000      -0.41983219      -0.35917694      -1.08076142
O       -4.84974000      -1.04256000       5.62026000       0.34203727      -0.47208704       0.85162135
O        9.54836000       1.75908000       1.70057000       0.85362013      -0.03640535       0.71863618
O       -1.85574000      -0.66563000       4.82561000      -0.26557313       1.30292044      -0.88651151
O        6.49349000       1.28263000       2.62626000      -0.29464593      -0.42665942      -1.15451119
O        0.70257000       0.05838000       4.36543000       2.30689662      -0.20848352      -0.96234818
O        3.87820000       0.67041000       3.01970000      -0.86788161       0.79885068      -0.31542704
Zn       4.72544000       1.04002000       6.25089000      -0.22318988      -0.05653166       0.24515538
Zn       7.80148000       1.50846000       1.04507000      -1.26465674      -0.03476854      -0.54504987
Zn      -4.88549000      -0.97494000       3.75099000      -1.19791987      -0.37798234      -0.44520698
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.08039116 magmom=12.0002543 free_energy=-97.08039116 stress="0.0018800030289394672 0.013574071907965267 0.011359279666003726 0.013574071907965267 -0.002854952631699268 -0.01173346232615305 0.011359279666003726 -0.01173346232615305 0.015469212712406597" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64466000       0.21727000       6.20032000      -0.49735997      -1.04426729      -0.88377223
Cr       3.12574000       0.48456000       1.18974000      -0.34446308       0.08787961      -1.57033903
Cr       7.14781000       1.22064000       4.55769000       0.81028885      -0.35718527      -0.32335834
Cr      -2.40943000      -0.46615000       2.70492000       0.05592423      -0.57871495       0.51545337
O       -7.33803000      -1.72018000       6.42359000      -0.13889926       1.27132838       0.42312519
O       11.98607000       2.17711000       0.81575000       0.68686587       0.45989251       1.47613087
O       -4.73231000      -1.02250000       5.73044000       0.74487938      -0.17685335      -0.34990022
O        9.55698000       1.74612000       1.73575000      -0.82795709      -0.32749872       0.04125619
O       -1.77632000      -0.58763000       4.79001000      -0.14106253       0.86761002      -0.54771994
O        6.36249000       1.24430000       2.56548000       1.96748409      -0.35094528      -0.36102107
O        0.98033000      -0.02029000       4.32784000      -0.58543675       0.16428995      -0.48159937
O        3.86012000       0.70484000       2.99844000      -0.16408054      -0.06982408       0.59724845
Zn       4.79507000       1.14742000       6.25309000      -0.66938748      -0.12418117      -0.14509498
Zn       7.65607000       1.55846000       0.93609000       0.14111719       0.27256421       0.84023149
Zn       2.27902000       1.85626000       3.69710000      -1.03791290      -0.09409459       0.76935961
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.7913546 magmom=11.9995959 free_energy=-96.7913546 stress="0.029537170369125888 -0.014040287573768098 0.01116813572717438 -0.014040287573768098 -0.011590557744331305 -0.00439822469540307 0.01116813572717438 -0.00439822469540307 0.014016842206064976" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.75863000       0.25626000       6.18377000      -1.11250045      -1.74547029       1.07969498
Cr       3.10520000       0.47481000       1.19822000       0.06976587       0.02206381      -0.60587853
Cr       7.18126000       1.15346000       4.63357000       1.90201696       2.09396782      -1.58307017
Cr      -2.33937000      -0.54608000       2.76487000      -0.93114657      -0.09321038      -0.97761284
O       -7.29407000      -1.59312000       6.45016000       0.57917595       0.29354560      -0.29950234
O       11.98804000       2.17702000       0.91032000       0.73239761       0.40600136      -0.17809839
O       -4.57884000      -1.06009000       5.81890000       0.21113501       0.59160014      -0.57489905
O        9.51013000       1.70306000       1.72509000      -0.81955818       0.08377363      -0.65348631
O       -1.68611000      -0.39720000       4.64821000      -0.68610889      -2.17008207       1.07694990
O        6.49189000       1.13586000       2.47104000       0.30184867       0.32693264       0.72109105
O        1.13086000      -0.07041000       4.28120000      -1.50807414       0.73285466       0.74356565
O        3.81132000       0.73195000       3.03298000       0.66148798      -0.67100042       0.73736658
Zn      -2.46747000      -1.67576000       6.24962000      -0.77323960      -0.02691229      -0.56060196
Zn       7.51924000       1.62079000       0.87052000       0.83399128       0.38784703       1.03665387
Zn       2.10627000       1.77113000       3.67664000       0.53880850      -0.23191122       0.03782754
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.96274566 magmom=12.000148 free_energy=-96.96274566 stress="0.03633325027607344 -0.0036368634982892898 0.01892377202761889 -0.0036368634982892898 0.004682157261946735 -0.008505918363229684 0.01892377202761889 -0.008505918363229684 0.02537348908493073" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.81729000       0.20751000       6.22699000       0.31483198       0.36231989       1.15738767
Cr       3.08911000       0.46862000       1.16668000       0.99606693       0.48913918       0.26242680
Cr       7.28223000       1.18526000       4.62920000      -1.12609142       0.30645038      -1.08385750
Cr      -2.30478000      -0.62917000       2.77412000      -0.33768183       0.20353117       0.29503192
O       -7.10369000      -1.42135000       6.44101000      -0.71100892      -1.25631042       0.37744594
O       12.06961000       2.24440000       0.97494000      -0.33407029      -0.48554522      -0.68951115
O       -4.50589000      -1.04486000       5.81151000      -0.62262441      -0.01813847      -0.68836548
O        9.40639000       1.69573000       1.55415000       0.58728203       0.17109989       0.73789552
O       -1.62430000      -0.52998000       4.66664000       0.23876096      -0.15561240       0.98815231
O        6.61513000       1.07033000       2.54533000      -0.34611988       0.23686430       0.48739474
O        1.01299000       0.02062000       4.39896000       0.62844825      -0.13485542      -0.81509528
O        3.88214000       0.62936000       3.12489000      -0.64618792      -0.37762149      -0.48790003
Zn      -2.46797000      -1.59597000       6.21655000      -0.79423019      -0.05136873      -0.41512963
Zn       7.42775000       1.70644000       0.85942000       0.64300602       0.28513205       0.58238565
Zn       1.96383000       1.68106000       3.66370000       1.50961869       0.42491529      -0.70826148
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.15667433 magmom=11.9996315 free_energy=-96.15667433 stress="-0.008554844929116569 0.014964831585189488 0.039726426246451445 0.014964831585189488 -0.015983165842985193 -0.016355358897270463 0.039726426246451445 -0.016355358897270463 0.00781890497424989" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.89420000       0.16944000       6.34339000      -0.62583069       0.76357320      -1.48442376
Cr       3.13142000       0.48848000       1.14400000       0.80592873       0.05124986       0.42228530
Cr       7.32904000       1.25472000       4.56907000      -0.03758923      -1.45562292       1.45486652
Cr      -2.28448000      -0.71237000       2.79446000      -1.31809056       0.15072167       1.11474231
O       -6.98727000      -1.48234000       6.51092000      -1.40736849      -0.61542964      -0.60708383
O       12.08908000       2.21502000       0.94836000       0.64431705      -0.30815174       1.15662717
O       -4.60772000      -1.04721000       5.68216000       1.06388316      -0.42702210      -0.19511028
O        9.47284000       1.74395000       1.46752000      -0.50660598      -0.39962743       1.04221008
O       -1.51938000      -0.71255000       4.83119000      -1.22641668       2.34029798      -0.94726876
O        6.59984000       1.03515000       2.74025000       0.34830016      -0.02791184      -1.52779569
O        0.99425000       0.07672000       4.44137000       1.11056178      -1.12844169      -1.01082265
O        3.87534000       0.45044000       3.07439000      -0.07366915       0.60625608      -0.13997727
Zn      -2.51637000      -1.51736000       6.16039000      -1.61284442      -0.49184468       1.04499852
Zn       7.36224000       1.82745000       0.88388000       0.83557122      -0.05532614       0.45146883
Zn       1.88929000       1.60108000       3.60880000       1.99985312       0.99727940      -0.77471647
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.12043383 magmom=11.9996401 free_energy=-96.12043383 stress="0.017755022942349506 -0.007896167298760774 0.02343647631760525 -0.007896167298760774 -0.007090437441489847 -0.009564424253268944 0.02343647631760525 -0.009564424253268944 -0.004947048013996335" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.95975000       0.16666000       6.40073000      -1.58978768      -1.06906042      -2.62749638
Cr       3.23056000       0.50471000       1.14540000      -0.83227817      -1.47424201      -0.01712434
Cr       7.34690000       1.25821000       4.57438000      -0.45045602      -1.61125294       1.21216890
Cr       4.97613000       2.11241000       2.88985000      -0.29486361       0.90758923       0.43072721
O       -7.07912000      -1.70382000       6.53041000       0.48384006       0.87629334      -0.99559942
O       12.19510000       2.08864000       1.03873000       0.71404716       0.76666891      -0.84864264
O       -4.63324000      -1.14773000       5.54731000       1.18551972       0.08537753       0.88156830
O        9.57202000       1.74753000       1.55670000      -0.87074456      -0.51193603      -0.41059630
O       -1.53765000      -0.49474000       4.83217000      -0.42970070      -0.45899684      -0.25363098
O        6.57697000       0.98966000       2.71797000       0.44545658       0.17684672      -0.76505005
O        1.16638000      -0.09937000       4.33699000      -0.91083614       1.04810481       0.27882356
O        3.85349000       0.36993000       2.94286000       0.74323344       1.06653277       2.21540976
Zn      -2.66582000      -1.44728000       6.14177000      -0.41052154       0.17305715       0.52877604
Zn       7.32334000       1.99034000       0.94509000       0.86867849      -0.24170470       0.24756603
Zn       1.91529000       1.55499000       3.48666000       1.34841297       0.26672247       0.12310031
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.86236765 magmom=12.0005009 free_energy=-95.86236841 stress="0.003365769441391165 -0.0309390446636581 0.0006112235987509424 -0.0309390446636581 -0.0119430873485381 0.0023862950441075367 0.0006112235987509424 0.0023862950441075367 0.018040387978928124" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.94593000       0.10713000       6.29478000      -1.48998135      -2.01807343      -1.31474942
Cr       3.30360000       0.44381000       1.15160000       0.38620680      -0.96379336      -0.48534183
Cr       7.34012000       1.17834000       4.64588000      -0.33517741       0.44308238      -1.33292515
Cr       4.93863000       2.07769000       3.00495000       2.08169224       2.41439446      -2.04939894
O        0.22612000       1.13407000       6.44641000       0.68909928       0.96640379       0.96903496
O        4.48817000       2.03887000       0.99363000      -1.10729825       0.38833032      -0.43081993
O       -4.55390000      -1.25820000       5.59690000      -1.50831312       1.15467320      -0.72976436
O        9.60781000       1.66542000       1.52113000      -0.01698541       0.02369385      -0.74102844
O       -1.62563000      -0.34135000       4.75156000      -0.27335848      -2.64437516       1.30405583
O        6.58614000       0.98546000       2.56450000       0.24873433       0.32164771       1.11225185
O        1.17590000      -0.15813000       4.30935000      -0.26318946       0.95372840       0.27362675
O        3.94280000       0.48235000       3.08916000      -1.21022134      -1.03746173       0.36099834
Zn      -2.84561000      -1.37264000       6.16500000       2.52464834       0.31831908       1.41580700
Zn       7.31915000       2.16414000       1.02512000       0.20965245      -0.26745014      -0.18971796
Zn       2.01554000       1.52170000       3.37073000       0.06449138      -0.05311937       1.83797129
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.59974478 magmom=11.999977 free_energy=-96.59974484 stress="-0.010176346576483511 0.003768316795800794 0.012448608637193267 0.003768316795800794 -0.012042125805309967 -0.011752004308113295 0.012448608637193267 -0.011752004308113295 0.03462826800724217" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.85683000      -0.02689000       6.12817000      -1.11624662       1.63619464       1.54848484
Cr       3.37700000       0.34187000       1.12633000       0.23072737       0.25510631      -0.37718289
Cr      -0.56060000       1.11479000       4.66176000      -0.44579079      -0.07702725      -0.25933589
Cr      -2.29468000      -0.75277000       3.00010000      -0.26839051       0.59677590      -1.68520702
O       -6.96206000      -1.67562000       6.48748000      -1.60100250      -0.51150024      -0.67829437
O       12.26103000       2.05136000       0.87211000       0.43157343       0.00608060       1.38117444
O       -4.72117000      -1.21802000       5.57344000       2.30746000      -0.80114369      -1.10229646
O        9.66900000       1.58982000       1.34930000      -0.53265532      -0.24749249       1.39989337
O       -1.66315000      -0.62506000       4.84399000       1.01917913       0.21093785       0.25248999
O        6.60976000       1.04937000       2.63005000       0.28077483      -0.27737265       0.87582369
O        1.07724000      -0.06492000       4.34799000      -0.82424007      -0.57005812      -1.38365319
O        3.92704000       0.48606000       3.24756000       0.13428631      -0.30807459      -1.08818595
Zn      -2.90212000      -1.29863000       6.24579000       0.28248154       0.18590990       0.84597802
Zn       7.32673000       2.30265000       1.08651000       0.29644174      -0.31601867      -0.52420216
Zn       2.10824000       1.49112000       3.35296000      -0.19459856       0.21768251       0.79451357
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.71994313 magmom=12.0001228 free_energy=-96.71994313 stress="-0.021053677966638325 0.02171966618301063 0.012161323431539616 0.02171966618301063 -0.008839541312822533 -0.016690833546583232 0.012161323431539616 -0.016690833546583232 0.026654790736289843" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.74879000      -0.05983000       6.05445000       0.77035790       1.36799520       0.10864845
Cr       3.42548000       0.27619000       1.08746000      -1.68211987       0.79268084       1.05524202
Cr      -0.62001000       1.05871000       4.65631000       0.62516780      -0.72118272       0.14792578
Cr      -2.23950000      -0.65890000       2.91758000      -0.90172745      -1.13606642       0.34299288
O       -7.07590000      -1.67132000       6.45490000      -0.18332228      -0.91780103      -0.14169096
O       12.22547000       2.03842000       0.94547000       1.67301105      -0.39497053      -0.45072580
O       -4.66485000      -1.26673000       5.42561000      -0.09622557      -0.14398966       0.34242385
O        9.68099000       1.51655000       1.42345000      -0.37490126      -0.03989495       0.63824804
O       -1.55558000      -0.79625000       4.92657000      -1.97595558       1.94483518      -0.02950424
O        6.63739000       1.05955000       2.81182000       0.04010282      -0.30780106      -1.71931610
O        0.90385000      -0.09446000       4.24336000       1.16571420      -0.70160023      -0.07347268
O        3.96596000       0.43590000       3.13598000       0.27373380       0.31165108      -0.82705821
Zn      -2.91226000      -1.23733000       6.34755000       0.10160579       0.22028598      -0.11224972
Zn       7.34575000       2.39460000       1.11385000       0.72690116      -0.34842729      -0.03622467
Zn       2.16974000       1.47711000       3.37959000      -0.16234250       0.07428561       0.75476136
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.73599608 magmom=11.9998147 free_energy=-96.73599608 stress="0.010930635981478429 -0.003254489050899026 -0.006812679706030073 -0.003254489050899026 -0.0031231768489428206 -0.0013783554205761134 -0.006812679706030073 -0.0013783554205761134 0.0023365976268775674" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.68903000      -0.00966000       5.99883000       0.86623113      -1.49544519       0.70207759
Cr       3.38848000       0.25355000       1.09704000       0.03503847       0.07324239      -0.53003440
Cr      -0.67199000       0.98251000       4.64685000      -0.13494999       0.92899337      -0.67616117
Cr      -2.22684000      -0.64309000       2.84469000      -0.16937954      -1.98431871      -0.04794428
O        0.12431000       1.09366000       6.41675000       0.60639752       0.72991241       0.52115620
O        4.51464000       1.96865000       0.93190000      -0.86893874       0.29629376      -1.69581075
O       -4.64823000      -1.35740000       5.37182000      -0.21227319       0.76458310       0.70263347
O        9.66232000       1.46582000       1.60032000      -0.06577881       0.08770329      -0.75416488
O       -1.67832000      -0.63010000       4.92765000      -0.44032451      -0.92543222      -0.57046406
O        6.63998000       1.00205000       2.73467000       0.55951238       0.48717792      -0.75028565
O        0.91237000      -0.25575000       4.19441000       0.38137770       0.53343226       0.41245826
O        4.06955000       0.44888000       2.85973000      -0.90746654       0.53875800       2.09749677
Zn      -2.91624000      -1.17384000       6.43981000      -0.02182021       0.28583303      -0.66004515
Zn       7.39769000       2.46194000       1.13606000       0.53451854      -0.31432684       0.36966253
Zn       2.22034000       1.47023000       3.44795000      -0.16214420      -0.00640659       0.87942551
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.64531599 magmom=11.9994595 free_energy=-96.64531599 stress="0.01733304869729878 -0.012955921089171346 -0.014723000413163937 -0.012955921089171346 -0.002716387471580312 0.002657572133260778 -0.014723000413163937 0.002657572133260778 0.011859812272452305" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.67922000      -0.03541000       5.98073000       0.66064279      -1.58842315       2.32722170
Cr       3.33725000       0.23598000       1.08272000       0.83534862       0.20377005      -0.92632009
Cr      -0.73980000       0.94353000       4.59883000       0.74627261       1.20016051      -0.35514930
Cr      -2.22693000      -0.74215000       2.73075000      -0.10221959       0.52265916      -0.83782567
O        0.15698000       1.05712000       6.43587000      -1.48864928       0.62849884      -0.96023442
O        4.46234000       1.93533000       0.63823000      -0.71599702       0.23922059       1.92396465
O       -4.72677000      -1.32193000       5.50099000       1.20286181       0.63410278      -0.06463400
O        9.68111000       1.44480000       1.65025000      -0.19925759       0.11577725       0.05253713
O       -1.88876000      -0.55694000       4.74947000       0.83946564      -1.62139193      -0.17942594
O        6.69314000       0.98248000       2.50294000       0.18827544      -0.01667590       0.80555874
O        0.97792000      -0.35503000       4.26739000      -1.24280318       0.78691266      -1.55205913
O        4.07838000       0.53638000       2.87818000      -0.58100428      -1.15726911       0.74867514
Zn      -2.92354000      -1.08375000       6.51612000      -0.30671863       0.18462206      -0.97350539
Zn       7.49515000       2.52765000       1.18162000       0.45407711      -0.11872120       0.22016373
Zn       2.27240000       1.46198000       3.58192000      -0.29029443      -0.01324261      -0.22896712
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.59135803 magmom=12.0002102 free_energy=-96.59135803 stress="0.013494245209497943 0.008822800418184708 -0.0015269445816644388 0.008822800418184708 0.009286555599950496 -0.0019249960272544756 -0.0015269445816644388 -0.0019249960272544756 0.022508682932842358" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.69090000      -0.14606000       6.06438000      -2.00508919       1.59974862      -1.21007860
Cr       3.30535000       0.22654000       1.00901000      -1.56743563       0.10741350       1.15526287
Cr      -0.79644000       0.96226000       4.51005000       0.13783180      -0.17287972      -1.23158341
Cr       5.06463000       2.06276000       2.55906000      -0.30297294       0.80874511       0.74912570
O        0.02014000       1.13869000       6.31384000       0.21821461      -0.50002874       0.58183015
O       12.06277000       1.93969000       0.64180000       1.82783080      -0.08494058       1.69134049
O       -4.67022000      -1.21575000       5.69590000       0.28381967      -1.46615366      -0.72493424
O        9.72286000       1.45575000       1.66183000      -0.87537967      -0.10467327       0.29625222
O       -1.87693000      -0.75607000       4.46685000       1.29337977       0.25168965       1.38607443
O        6.75178000       0.96031000       2.39856000      -0.59309941      -0.55296878       0.27386250
O        0.85530000      -0.29065000       4.19730000       0.86039574       0.63760542       0.01348888
O        4.01652000       0.44675000       3.01265000      -0.09711163      -0.79503294      -1.53851455
Zn      -2.94061000      -0.96777000       6.55641000       0.49361589       0.10921410      -0.52922222
Zn       0.33501000      -0.31435000       1.24803000       0.48829128       0.09189231       0.00954857
Zn       2.31830000       1.45199000       3.73184000      -0.16229109       0.07036897      -0.92245278
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.56056426 magmom=11.9977998 free_energy=-96.56056426 stress="-0.009968582241591526 0.014190723129293589 0.0020892418329813145 0.014190723129293589 -0.001489790719083248 -0.0040248441315915125 0.0020892418329813145 -0.0040248441315915125 0.010376931384567611" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.61370000      -0.17153000       6.08920000      -0.51370176       1.26278449      -0.49861315
Cr       3.20629000       0.22187000       1.00717000      -0.30928173      -0.42028543       1.13661840
Cr       7.04379000       0.96402000       4.37944000       2.99220865      -1.22232272      -0.01066224
Cr       5.05469000       2.01129000       2.48325000       0.14648939       0.20392183       2.55426689
O       -0.03637000       1.14609000       6.28727000       0.27781336      -0.71624681       0.71541163
O        4.19650000       1.91480000       0.82910000       0.05683313      -0.19178546      -3.07121346
O       -4.66198000      -1.34070000       5.76160000      -0.49770631      -0.19001423      -0.41131664
O        9.64148000       1.45188000       1.69625000      -0.95858351      -0.32608548       0.02608530
O       -1.67023000      -0.83813000       4.41682000      -2.66101828       1.81583889       0.92900267
O        6.67134000       0.84957000       2.39362000       0.18185694      -0.34494549      -0.48413595
O        0.86957000      -0.14790000       4.16219000       1.23354524      -0.49459164       0.19785868
O        3.97105000       0.25465000       2.85038000      -0.06507278       0.58201260       0.60301092
Zn      -2.93074000      -0.86553000       6.56677000       0.34812232       0.00894546      -0.14074960
Zn       0.46948000      -0.25139000       1.30115000      -0.14895011       0.04649750      -0.27454414
Zn       2.34758000       1.44533000       3.81214000      -0.08255456      -0.01372351      -1.27101930
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.25879854 magmom=12.0007298 free_energy=-96.25879863 stress="0.00948056575211761 -0.018319092401526075 -0.009117014154598256 -0.018319092401526075 -0.007993929622818273 0.00660840677772047 -0.009117014154598256 0.00660840677772047 -0.0037087593045971377" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51403000      -0.13331000       6.07734000       0.94270174      -1.07312590      -0.41565405
Cr       3.10479000       0.19684000       1.06368000       1.86995661      -0.39416284      -1.43000204
Cr      -0.71052000       0.92216000       4.27244000       0.31360035       0.96618776       1.79143928
Cr       5.04275000       1.97864000       2.53487000      -1.07738469      -0.65701976       0.05875875
O       -0.00494000       1.04897000       6.37034000      -1.44050957       0.18247773      -1.00167699
O        4.21124000       1.83541000       0.62007000      -0.64277245       0.06247203       2.99631272
O       -4.75896000      -1.46235000       5.75149000       1.03509048       1.59032374      -0.18727335
O        9.46257000       1.40711000       1.72899000       0.85621325       0.41180807       0.40324801
O       -1.76022000      -0.66959000       4.52341000       0.40500383      -1.15216895      -0.29796422
O        6.58131000       0.70231000       2.37580000       0.99437211       0.90973050      -0.10164613
O        1.04911000      -0.12685000       4.17521000      -1.14390328      -0.98656762      -1.12830677
O        3.95193000       0.19683000       2.77457000      -0.05401001       0.62501897       1.58905710
Zn      -2.90698000      -0.77719000       6.56725000      -0.41657723      -0.20847624      -0.43283409
Zn       0.57201000      -0.19943000       1.32310000      -1.75405604      -0.55060873      -1.05561225
Zn       2.36796000       1.44149000       3.81719000       0.11227491       0.27411125      -0.78784596
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.59547368 magmom=12.0002362 free_energy=-96.59547376 stress="0.009554342012777921 -0.016559423995809192 0.0028238234170093815 -0.016559423995809192 -0.005523691729805074 0.015232280307407168 0.0028238234170093815 0.015232280307407168 0.04189272608814241" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.46801000      -0.13679000       6.05715000       1.18703130      -0.60841022       0.30003353
Cr       3.11497000       0.13552000       1.06211000       0.10342161      -0.56311906       0.63370761
Cr      -0.58421000       0.90421000       4.25977000      -2.22954905       0.01994759       0.91580142
Cr       4.98490000       1.92087000       2.62353000       0.74672787       0.84485123       0.77647026
O       -0.14307000       0.98351000       6.28361000       0.70020415       0.73375716       0.26176568
O        4.02000000       1.75696000       0.79457000       1.16106562       1.24105171      -0.88340784
O       -4.75283000      -1.32319000       5.73889000      -0.43969206      -0.15020892      -0.00850819
O        9.48841000       1.43609000       1.83216000       0.33520225      -0.37451872      -0.40623305
O       -1.74310000      -0.65131000       4.56350000       0.64998563      -1.17284399      -0.42599423
O        6.60644000       0.68945000       2.39492000      -0.01866843       0.33608115      -0.27124962
O        1.01891000      -0.31024000       4.06879000       0.12885971       0.55146912       0.52505655
O        3.91679000       0.27467000       2.95446000      -0.15984067      -0.43161281      -0.32861929
Zn      -2.90112000      -0.68302000       6.53970000      -0.08835478      -0.19358358      -0.58581550
Zn       0.59038000      -0.17292000       1.28220000      -1.89851167      -0.33222875      -0.65982653
Zn       2.39622000       1.45112000       3.76640000      -0.17788147       0.09936808       0.15681921
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.40916251 magmom=11.9990047 free_energy=-95.40916251 stress="-0.048576054792972306 0.013017978635579902 0.0122683452653212 0.013017978635579902 -0.03642132821839763 0.011991606643471502 0.0122683452653212 0.011991606643471502 0.023566968279156657" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.48254000      -0.18489000       6.04214000      -0.50909883       1.44009759       0.48132814
Cr       3.15693000       0.03723000       1.09257000      -1.14666944       2.49524633       0.81673731
Cr      -0.56735000       0.85564000       4.30328000      -1.59806223      -1.35979861      -0.44657317
Cr       4.95970000       1.89420000       2.80215000       1.47929960       1.42007765      -1.54123178
O       -0.14467000       1.06460000       6.21168000       1.15324090      -0.30933728       2.07246677
O        3.98544000       1.81032000       0.95653000       2.87485066      -1.04517097      -2.17629446
O       -4.81349000      -1.13794000       5.73004000       1.34465887      -1.79344147      -0.39036062
O        9.62181000       1.40689000       1.87159000      -1.80014441      -1.37938799      -1.29199842
O       -1.52819000      -0.88626000       4.50660000      -1.57770642       0.52986257       1.68967054
O        6.60291000       0.76218000       2.43728000      -0.31392984      -0.65959112      -0.58345693
O        0.92319000      -0.43993000       4.05758000       2.03889654       1.83309129       0.60968290
O        3.89203000       0.30620000       3.13276000       0.56825183      -1.12903665      -0.64695572
Zn      -2.90619000      -0.55274000       6.45561000      -0.24700705      -0.46977947      -0.59718662
Zn       0.49854000      -0.15983000       1.17374000      -1.03106780       0.28595454       0.40961455
Zn       2.42363000       1.47661000       3.70320000      -1.23551237       0.14121358       1.59455750
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.01804422 magmom=11.9980158 free_energy=-96.01804422 stress="-0.012773938150327553 0.023588132244202573 -0.006821258273350034 0.023588132244202573 -0.005331032957986351 -0.003467040666981127 -0.006821258273350034 -0.003467040666981127 0.020598907668195082" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.51397000      -0.17248000       6.06302000       2.84317742       1.21927242       1.85621794
Cr       3.18254000       0.03141000       1.17536000       2.57425141       0.23692771      -1.28708451
Cr      -0.62990000       0.73049000       4.34144000       1.86366656       0.81479633       1.28448658
Cr       5.02080000       1.93485000       2.91949000      -0.28684363      -0.66884768      -3.44299018
O        0.08408000       1.09890000       6.44148000      -1.88187808      -1.32012470      -0.44869971
O        4.33278000       1.76511000       0.77255000      -1.66122507      -0.09904197       1.77942778
O       -4.72782000      -1.22873000       5.65927000       0.50070547      -0.69912386      -0.05109495
O        9.52067000       1.16110000       1.67798000       0.62482754       0.97747186       0.64221405
O       -1.54555000      -1.03586000       4.69334000      -1.20254691       1.53915466       0.78479427
O        6.52152000       0.72683000       2.47818000       1.02261521      -0.60927363       0.56249201
O        1.05756000      -0.30026000       4.20534000      -0.86097374      -0.66313373      -1.21936704
O        4.00600000       0.18267000       3.15003000      -0.69817168       0.57541639      -0.60191528
Zn      -2.93173000      -0.42179000       6.32552000      -0.78667254      -0.84087382      -0.18117463
Zn       0.33553000      -0.13320000       1.05498000      -0.80959460       0.24503632      -0.14072317
Zn       2.39419000       1.50731000       3.70336000      -1.24133736      -0.70765628       0.46341687
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.90165566 magmom=11.9999235 free_energy=-96.90165567 stress="0.004342422520512166 0.010908314977953772 -0.0018419531415496736 0.010908314977953772 0.0008703888709246607 0.006054066963701385 -0.0018419531415496736 0.006054066963701385 0.01919612270003235" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.64285000      -0.12676000       6.15716000       0.68985025      -1.41554520       0.30529588
Cr       3.30187000       0.04950000       1.17477000      -0.57598371      -0.90177000      -0.37476602
Cr      -0.60763000       0.68180000       4.42816000       0.04890408       2.13060655       2.29492313
Cr       5.05697000       1.92817000       2.84385000      -0.66421051      -1.52834533      -0.77598389
O        0.07862000       0.97268000       6.52513000      -0.04637258       0.48062984      -1.51462329
O        4.31531000       1.71223000       0.86660000       0.35805246       0.59355371       0.63891083
O       -4.62825000      -1.40555000       5.63324000      -0.42741538       0.44918310       0.38627883
O        1.71637000       1.11975000       1.61815000       0.44283003       0.80007619       0.74053964
O       -1.69796000      -0.89631000       4.85561000       0.73801122      -0.37279012      -1.60207227
O        6.59054000       0.62035000       2.62196000       0.81137354       0.71345382      -0.61827131
O        1.03435000      -0.28852000       4.23067000       0.08273683      -0.99815270       0.07364694
O        4.02364000       0.17034000       3.04455000      -0.53843789       0.17372665       0.46356407
Zn      -2.97974000      -0.36413000       6.23297000      -0.42391474      -0.52760595       0.53259254
Zn       0.19967000      -0.10294000       0.97351000       0.29159035       0.81500957       0.24937571
Zn       2.32369000       1.50194000       3.71644000      -0.78701395      -0.41203012      -0.79941080
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.21837403 magmom=11.9999321 free_energy=-97.21837403 stress="0.004991328525320097 0.0003729250085434776 0.0023790550558007496 0.0003729250085434776 -0.01024043162095803 0.01786654412402221 0.0023790550558007496 0.01786654412402221 0.012120770112288485" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.75500000      -0.16566000       6.23361000      -1.02345270      -1.56584163      -0.78975537
Cr       3.34672000       0.02925000       1.14634000      -1.80815516      -0.10649980       0.50425280
Cr      -0.58728000       0.74782000       4.57952000      -0.30003127       1.12689606      -0.63072457
Cr       5.06891000       1.86493000       2.75472000       0.81804510       0.29689989       1.47841024
O        0.12841000       0.95217000       6.41156000       0.42787516       0.42795519       1.24249924
O        4.30527000       1.74840000       0.98739000       1.15574837      -0.04257532      -2.14543711
O       -4.65116000      -1.45504000       5.69418000       0.57330108       0.84393171      -0.31752564
O        1.86754000       1.22200000       1.68340000      -0.92746972      -0.15093508      -0.22726658
O       -1.68001000      -0.83982000       4.70436000      -0.32468347      -0.95617181       0.63298165
O        6.71395000       0.61762000       2.66577000      -0.28433588       0.14004456      -1.22784485
O        0.98961000      -0.41533000       4.30365000       0.97464154       0.19508955       0.32266230
O        3.97664000       0.18730000       3.01484000       0.26816073      -0.34260222       0.72956278
Zn      -3.02608000      -0.35178000       6.19011000       0.42267904      -0.59056596      -0.04805387
Zn       0.12381000      -0.04994000       0.93635000       0.46111839       0.97642257       0.91296534
Zn       2.24212000       1.47840000       3.69184000      -0.43344122      -0.25204770      -0.43672637
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.96605992 magmom=11.9996424 free_energy=-96.96605992 stress="0.0022148699362671415 0.002486541083099045 -0.003448322256282421 0.002486541083099045 -0.009045876716615239 0.014212806930505426 -0.003448322256282421 0.014212806930505426 -0.002062643735464" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.80372000      -0.27879000       6.24848000       0.05167703       1.55029934      -0.83812569
Cr       3.29267000       0.00645000       1.15290000       1.53038024       0.89020906       0.45607711
Cr      -0.59261000       0.85854000       4.68575000      -0.05780613      -1.49475214      -1.36007093
Cr       5.12975000       1.82304000       2.73871000      -0.30068008       0.53458502      -0.29704356
O        0.27208000       0.99654000       6.50375000      -1.74104248      -0.90708414      -0.17816890
O        4.43641000       1.77809000       0.80515000      -0.43514001      -0.29245899       2.43096472
O       -4.62419000      -1.39590000       5.70401000       0.74758502      -1.03449515      -0.87974693
O        9.73989000       1.27818000       1.68169000      -1.19881747      -0.98485109      -0.10921412
O       -1.63899000      -0.92558000       4.63254000       0.00693227       0.59365373       1.33217932
O        6.73376000       0.63531000       2.52955000       0.19623833      -0.19845396       0.38528725
O        1.06868000      -0.47063000       4.45486000      -0.31483111       1.14618848      -1.40930698
O        4.01124000       0.14816000       3.05973000       0.18048963      -0.17010935      -0.28952795
Zn      -3.04785000      -0.36659000       6.15678000       0.65628694      -0.20075731       0.31540837
Zn       0.08013000       0.04718000       0.94720000       0.18582611       0.64429984       0.15625694
Zn       2.14804000       1.44287000       3.64852000       0.49290171      -0.07627333       0.28503136
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.84367674 magmom=11.9996714 free_energy=-96.843718 stress="0.005449429917183822 0.01492571924939176 -0.000912503260264775 0.01492571924939176 0.009363546381365348 0.005686701323509913 -0.000912503260264775 0.005686701323509913 0.010538288950670976" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.86858000      -0.35648000       6.22393000      -0.32709667       1.15908348       0.78789669
Cr       3.29333000       0.02583000       1.21411000       1.06680360      -0.47719976       0.41523763
Cr      -0.61535000       0.91141000       4.72700000       1.43188791      -1.76296558      -0.60988185
Cr       5.21889000       1.81137000       2.72633000      -1.60314849       0.09639596       0.45036126
O        0.20425000       0.91535000       6.62198000       0.09192491       0.04951575      -2.23183773
O        4.46250000       1.72173000       0.93084000      -0.88894696      -0.36381352      -0.64862458
O        2.75952000       1.39089000       5.54879000      -0.50942988      -0.21717091       0.19446067
O        9.58157000       1.17159000       1.59501000       0.69892139       0.39221045       0.77027728
O       -1.55944000      -0.91118000       4.77961000      -0.91328349       1.31380095      -0.29091859
O        6.70854000       0.60223000       2.44421000       0.74817103       0.06994797       1.48211942
O        1.09558000      -0.30544000       4.41785000      -0.80183175      -0.59590821      -0.50064527
O        4.13030000       0.06288000       2.99999000      -0.55451126       0.14988674       0.77239233
Zn      -3.02830000      -0.39352000       6.13505000       0.32353441      -0.02244233       0.79100659
Zn       0.03645000       0.21910000       0.97177000       0.42944110       0.07169547      -1.07397720
Zn       2.04663000       1.38736000       3.60164000       0.80756414       0.13696355      -0.30786664
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.45626121 magmom=12.0005461 free_energy=-95.45626363 stress="-0.018502420098477076 -0.023678396050403786 0.008241660668726194 -0.023678396050403786 -0.03870851943840823 0.018437499353379655 0.008241660668726194 0.018437499353379655 0.0008751670519944714" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.94032000      -0.39039000       6.20950000      -2.29852364      -0.51658904      -0.48608818
Cr       3.35521000       0.02226000       1.31077000      -1.52439649      -3.11856579      -1.76183585
Cr      -0.58995000       0.88174000       4.74185000       0.24493787       1.58829532      -1.79075804
Cr       5.25744000       1.80643000       2.73743000      -1.53671776      -0.66916611       1.54588637
O        0.16344000       0.81705000       6.45820000       1.82456181       0.78898501       1.94939682
O        4.28970000       1.56929000       1.06346000       1.92538428       1.96423584      -2.59077297
O        2.74391000       1.15726000       5.40197000       0.57440459       1.89303597       1.03922161
O        1.73183000       1.08001000       1.60053000       0.73294455       0.90424687       0.46959462
O       -1.54142000      -0.67164000       4.90802000      -1.01242671      -2.44174960      -0.70063168
O        6.74341000       0.55513000       2.63683000       0.91427523       0.82847389      -0.31857711
O        0.95899000      -0.22106000       4.26596000       0.87996242      -2.12151130       0.65180204
O        4.20831000      -0.01502000       3.01046000      -0.72091604       0.67167818       1.46977639
Zn      -2.98040000      -0.42715000       6.14978000      -0.65179855      -0.09642425       0.38150428
Zn       7.84931000       0.47275000       0.95109000      -0.06625075      -0.22562661      -0.07684203
Zn       1.94351000       1.31691000       3.51983000       0.71455920       0.55068162       0.21832372
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.05028888 magmom=12.0000943 free_energy=-96.05028888 stress="-0.011521439671727857 -0.012548629126769493 0.011984814870418062 -0.012548629126769493 -0.03405652057433892 0.02268885343105863 0.011984814870418062 0.02268885343105863 0.004006430262847586" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.90654000      -0.43660000       6.16505000      -0.08717944       1.19624050      -0.18895262
Cr       3.38285000      -0.11145000       1.31163000       1.85234658       0.97572222      -2.17905320
Cr      -0.54909000       0.88250000       4.69496000      -1.31942860      -2.04252405       0.49954078
Cr       5.21041000       1.78058000       2.82912000      -0.74567909       0.34751243       0.71116616
O        0.40240000       0.86808000       6.49832000      -1.85359253      -0.90644573      -0.01637785
O        4.35035000       1.62992000       0.82085000       1.34713867      -0.23150633       2.22184139
O        2.75690000       1.22409000       5.48281000       0.29311672       0.70255250      -0.04244201
O        1.92389000       1.13234000       1.64135000      -1.54929426      -0.64922027      -0.80540929
O       -1.60388000      -0.77324000       4.86028000       0.40257347      -1.00253442      -0.34601942
O        6.83750000       0.61771000       2.79973000      -0.57626473      -0.04612957      -1.83582527
O        0.94431000      -0.48205000       4.25173000       1.91930926       1.65250418       0.18059193
O        4.17087000       0.02408000       3.18274000      -0.23725545       0.24812810      -1.22427695
Zn      -2.97093000      -0.46009000       6.18364000      -0.96810061       0.11329582      -1.01022426
Zn       7.80088000       0.72418000       0.92595000       0.39072753      -0.44459403       1.62224902
Zn       1.87379000       1.26880000       3.46308000       1.13158247       0.08699864       2.41319160
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.70049387 magmom=11.9999391 free_energy=-96.70049404 stress="-0.00877366257721391 0.02288478080630847 -0.0019431618771502675 0.02288478080630847 -0.00728789625214334 0.003014424400718356 -0.0019431618771502675 0.003014424400718356 -0.008952205395955808" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.86975000      -0.41754000       6.14439000       0.78251763       1.35874258       1.80081897
Cr       3.48776000      -0.18296000       1.20439000       0.54085444       1.61987620      -0.36192549
Cr      -0.57520000       0.79580000       4.65809000       0.68513033      -1.75768413      -0.18873335
Cr       5.13487000       1.77684000       2.92958000      -0.03773450       0.48015979      -2.27104704
O        0.36041000       0.81581000       6.53343000      -1.29254286      -0.09640768      -1.01452132
O        4.58447000       1.66978000       0.89455000      -0.63019607      -0.66821195       0.45500023
O        2.75732000       1.38468000       5.56667000       0.08097230      -0.99336383      -0.59507107
O        1.90762000       1.08276000       1.54262000      -0.08967422      -0.34264074       0.64563794
O       -1.56829000      -1.03846000       4.75006000      -0.25983669       1.35156138       1.44395374
O        6.78846000       0.66151000       2.69578000      -0.11871053      -0.48508472       0.40527535
O        1.15636000      -0.50524000       4.33685000      -1.53365272       0.56189962      -0.32939149
O        4.11965000       0.09549000       3.09221000      -0.48013577      -0.58909594       0.07846663
Zn      -3.00644000      -0.47543000       6.17319000      -0.17929723       0.14389215      -0.69190074
Zn       7.77858000       0.90637000       0.97441000       0.52091029      -0.38552708       1.00920206
Zn       1.87908000       1.23383000       3.50694000       2.01139561      -0.19811567      -0.38576442
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.78151857 magmom=11.9973532 free_energy=-96.78151902 stress="0.0014174108213275958 0.017638670976168076 0.001915829734469185 0.017638670976168076 -0.005374555375611683 0.0004716598221378815 0.001915829734469185 0.0004716598221378815 -0.011490705238731693" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.87636000      -0.33713000       6.20412000      -0.84367250      -0.44734538      -0.27204974
Cr       3.58713000      -0.15270000       1.10052000      -2.58641440       0.15759189       1.08592756
Cr      -0.58952000       0.63618000       4.62690000       0.76219267       0.73891824      -0.09705390
Cr       5.08148000       1.79222000       2.91442000       0.58394232      -0.31039180      -0.67214904
O        0.17768000       0.76845000       6.43826000       1.26843330       0.67456893       0.80568134
O        4.60494000       1.59053000       1.01179000      -0.35831691      -0.04603200      -2.04361688
O        2.70591000       1.34598000       5.55680000       0.24642939      -0.04367049      -0.15479444
O        1.92524000       0.99926000       1.54099000       0.33972572       0.65143203       0.36173912
O       -1.54558000      -1.04794000       4.80547000      -0.97634878       0.20985670       0.23503923
O        6.68268000       0.60514000       2.68334000       0.37209041      -0.17302967       0.42545516
O        1.11106000      -0.42387000       4.39214000      -0.44868276      -1.02022862      -0.80957822
O        4.05693000       0.06529000       2.97839000      -0.26474469      -0.31511027       1.27265253
Zn      -3.04174000      -0.47529000       6.13360000       0.30767820      -0.11859858       0.36994348
Zn       7.78672000       1.02827000       1.06082000       0.52580000      -0.25058151       0.01338183
Zn       1.97052000       1.20295000       3.53329000       1.07188803       0.29262054      -0.52057803
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.71297663 magmom=11.9987379 free_energy=-96.71297664 stress="-0.024238823532831816 0.0010897791213107183 0.008778662562793528 0.0010897791213107183 -0.032450240413594234 0.005415262223504292 0.008778662562793528 0.005415262223504292 -0.008436515066142201" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.83882000      -0.29014000       6.22853000      -0.65007028      -1.88789906      -2.51794918
Cr       3.52484000      -0.11393000       1.07859000      -1.86600039      -0.98662257       1.44824506
Cr      -0.57069000       0.52564000       4.60878000      -0.40158358       2.63354290       0.94485329
Cr       5.06298000       1.78025000       2.84460000      -0.00791148      -1.32963294       0.46576134
O        0.26801000       0.85725000       6.46397000      -0.46459547      -0.09814326      -0.22659523
O        4.48347000       1.52983000       0.80910000       1.13596197       1.13750889       1.64009842
O        2.65643000       1.27958000       5.53109000       0.93506469       1.22818525      -0.22661271
O        2.02515000       1.05294000       1.59695000      -1.25654082       0.46987275      -0.22591927
O       -1.66688000      -1.00668000       4.85499000      -0.12824445      -1.21568582      -0.71802506
O        6.61816000       0.51260000       2.76970000       0.77992607       0.71168481      -1.10815712
O        0.96960000      -0.54094000       4.32825000       1.24565827      -0.64374857      -0.54235409
O        4.01175000      -0.02417000       3.03981000       0.22709199       0.51387267      -0.02790505
Zn      -3.06486000      -0.47620000       6.11371000      -0.12883122      -0.22806980       0.88768270
Zn       7.82600000       1.13520000       1.15048000       0.27632372      -0.33858557      -0.41795298
Zn       2.11990000       1.18548000       3.53474000       0.30375098       0.03372029       0.62482988
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.72513247 magmom=12.0009278 free_energy=-96.72514333 stress="-0.02299029354928907 -0.007082019449475168 -0.0014180043077058487 -0.007082019449475168 -0.02809291301325173 0.006377220742927969 -0.0014180043077058487 0.006377220742927969 0.018394076125817352" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.76466000      -0.34034000       6.10085000       1.31075760       0.04980540       0.01129612
Cr       3.33003000      -0.10414000       1.14195000       2.42743793       1.38501490      -0.76141149
Cr      -0.57653000       0.53462000       4.62849000      -1.42816975      -0.23876747      -0.74278482
Cr       5.06566000       1.69326000       2.78945000       0.88002171       0.14271260      -0.11371884
O        0.33852000       0.91888000       6.48908000      -2.19472535      -1.23421782      -0.81432480
O        4.43227000       1.66163000       0.80338000      -0.46615442      -0.23057764       0.93042246
O        2.69559000       1.37498000       5.49359000      -0.41346966      -0.50234534       0.10089707
O        1.92673000       1.19664000       1.61422000      -0.89792297      -1.20841525       0.75278059
O       -1.77980000      -1.15726000       4.72298000       1.29301575       0.14992738       0.62506295
O        6.66041000       0.49410000       2.71017000       0.24832285      -0.03381033      -0.39370162
O        0.97106000      -0.77391000       4.19568000       0.52968932       1.69922717       0.52466611
O        4.03348000      -0.03592000       3.07237000      -0.57712960       0.43126778      -0.57910418
Zn      -3.09472000      -0.48563000       6.14323000       0.70239688      -0.02945802       0.88848493
Zn       7.88688000       1.25194000       1.23661000      -1.07825386      -0.39983224      -0.97601044
Zn       2.32665000       1.16774000       3.56995000      -0.33581642       0.01946889       0.54744595
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.33516964 magmom=12.0000003 free_energy=-96.33516964 stress="-0.0426419235139547 0.019279596337247965 -0.0077922424206678335 0.019279596337247965 -0.0156772804532987 -0.005270551411356608 -0.0077922424206678335 -0.005270551411356608 -0.014365200129126737" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.73052000      -0.40948000       5.95969000      -1.23918541       0.39455228       2.42408742
Cr       3.24189000      -0.03768000       1.16713000       0.90033591       0.11653087      -1.43292506
Cr      -0.65551000       0.55156000       4.59826000       1.10995798      -1.04425578      -1.46643761
Cr       5.13103000       1.61378000       2.73712000       0.30822763       1.52887220      -0.33397638
O        0.11362000       0.78517000       6.38412000       0.62584801       0.20935548       0.61732379
O        4.26898000       1.75311000       0.97429000       0.27240527      -1.22839892      -2.02082953
O        2.65532000       1.38264000       5.50737000       0.57268744      -0.86071471       0.54241797
O        1.79119000       1.18246000       1.73853000       1.05540963      -0.05523402       0.40240524
O        5.65129000       1.63232000       4.64337000      -0.96895772       1.35926044       1.04327877
O        6.70505000       0.46139000       2.59467000      -0.12201273      -0.39037904       0.19295372
O        1.02705000      -0.74136000       4.20227000      -0.42020296       0.87204633      -0.03580857
O        4.00932000       0.02973000       2.96951000       0.18244342      -0.61299282       0.95410728
Zn      -3.09409000      -0.49572000       6.22273000       0.68952851      -0.23353773       0.63555425
Zn       7.88515000       1.35873000       1.27295000      -1.56014208      -0.21196827      -1.19540201
Zn       2.52292000       1.14925000       3.63336000      -1.40634291       0.15686370      -0.32674927
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.38682943 magmom=11.9998534 free_energy=-96.38682943 stress="-0.020229738425353014 -0.0011722634793298813 0.000599417915311026 -0.0011722634793298813 -0.03569271318005242 7.0695202095411835e-06 0.000599417915311026 7.0695202095411835e-06 -0.004520857080278275" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.63851000      -0.45991000       5.97554000      -0.26056555      -0.25934574       2.63705941
Cr       3.23509000       0.02143000       1.10998000      -0.38910160      -2.59238800       0.09062161
Cr      -0.67851000       0.52236000       4.49936000       1.58954690       0.94197127       0.46953785
Cr       5.20586000       1.61883000       2.66512000      -2.18413810       0.28916860       0.14114799
O        0.02199000       0.69592000       6.35069000       0.38661691       0.69135516       0.37280734
O        4.15673000       1.61417000       0.81320000       1.95290179       0.89678986      -0.66881311
O        2.65024000       1.23476000       5.64045000       0.39661946       0.42975184      -0.29257168
O        1.84911000       1.15141000       1.89046000      -1.12325501       0.59108592      -1.01448597
O       -1.63015000      -1.15542000       4.71013000      -1.26996548      -0.10012480      -0.39313922
O        6.68324000       0.37578000       2.55243000       0.92251769       0.83770546      -0.38378885
O        0.97368000      -0.55051000       4.23852000      -0.39783700      -0.72037048      -1.27645374
O        4.07367000       0.00726000       2.96444000       0.82275275      -0.32417080       0.06163624
Zn      -3.05942000      -0.51504000       6.32531000      -0.00544256      -0.50525951      -0.66423347
Zn       7.81279000       1.44772000       1.24974000       0.88978655      -0.32205754       0.27964408
Zn       2.63314000       1.14037000       3.68696000      -1.33043677       0.14588877       0.64103152
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.65441747 magmom=11.999796 free_energy=-95.65441747 stress="-0.005492496111699598 -0.010108515209710893 -0.005508743827252333 -0.010108515209710893 -0.026921873668623694 0.007621181904341517 -0.005508743827252333 0.007621181904341517 -0.008901420682870071" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52682000      -0.51574000       6.11758000       2.01802249       0.73358227      -3.81997828
Cr       3.22797000      -0.05079000       1.05325000       0.47412633      -0.98452406       1.11740588
Cr      -0.62416000       0.53738000       4.42097000      -1.60702120       2.25672025       0.94664895
Cr       5.18453000       1.65371000       2.59516000       0.27542736       0.01924626       0.57210280
O        0.04330000       0.74655000       6.37556000      -1.37573859      -0.62022636       0.02977250
O        4.31396000       1.53443000       0.58210000      -0.08171264       0.50614662       4.26339674
O        2.66880000       1.12951000       5.74119000      -0.28383819       0.68710843      -0.84628567
O        1.80652000       1.21410000       1.82951000       0.96233565      -0.26435183      -0.21806793
O       -1.80681000      -0.98016000       4.68289000       0.53630504      -1.03381941      -0.57303536
O        6.75141000       0.42405000       2.50693000      -0.09650861       0.34548919      -0.25630198
O        0.86070000      -0.50848000       4.15184000       1.86165744      -1.52652890       0.37964886
O        4.26152000      -0.06697000       2.93160000      -2.25089474       0.62046734      -0.56997536
Zn      -3.02275000      -0.56087000       6.39252000      -0.33313489      -0.52954062      -1.90568086
Zn       7.77480000       1.52847000       1.23781000       0.86807717      -0.03884182       0.81364863
Zn       2.67309000       1.13831000       3.76958000      -0.96710260      -0.17092735       0.06670109
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.68244629 magmom=11.9991789 free_energy=-95.68244629 stress="0.0183923473089291 -0.030887242921626337 -0.005616611772494041 -0.030887242921626337 -0.031433345235591645 0.017003556003954895 -0.005616611772494041 0.017003556003954895 -0.04716898929798689" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.52401000      -0.53796000       6.13009000       1.22579280       0.46549383      -0.09312850
Cr       3.25658000      -0.20707000       1.06413000       1.42592611       2.36906473      -0.39333579
Cr      -0.63910000       0.66356000       4.38009000      -1.25007843      -1.38511467       1.16762319
Cr       5.15284000       1.70241000       2.55773000      -0.08417871       0.56703946       1.52631447
O       -0.07597000       0.73043000       6.39797000       0.46344163      -0.48238010      -0.50060197
O        4.41058000       1.54489000       0.87800000      -1.41706606      -0.18212237      -3.82767239
O        2.58564000       1.14788000       5.71103000      -0.10546177       0.46655846       0.73390298
O        1.93599000       1.18762000       1.67790000      -2.03266556      -2.39535083       1.14546977
O       -1.85883000      -0.94790000       4.50108000       1.13804551      -0.57402654       0.89014888
O        6.78332000       0.55446000       2.49214000      -0.55056928      -0.52698761      -0.12141971
O        0.97020000      -0.70202000       4.19802000       0.52104108       1.86048551       0.30172533
O        4.08749000      -0.01957000       2.75598000      -0.11366226       0.23499375       2.63738172
Zn      -2.99685000      -0.64926000       6.35830000       0.05715697      -0.50403402      -1.10562371
Zn       7.78826000       1.62946000       1.26812000       1.08612427       0.12295343      -0.31675297
Zn       2.66523000       1.12791000       3.86353000      -0.36384630      -0.03657302      -2.04403130
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.72509244 magmom=11.9989122 free_energy=-95.72515416 stress="-0.024818277581747126 0.041528930447616234 0.00133492691269709 0.041528930447616234 -0.011494418518480482 -0.006811432134461465 0.00133492691269709 -0.006811432134461465 -0.03999309857486594" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.59375000      -0.52619000       6.11140000      -1.37087917       0.69117829       1.14211567
Cr      10.63450000       2.61825000       1.07528000      -2.39312265       0.92904802      -0.19619477
Cr      -0.71993000       0.75349000       4.39972000       2.32411345      -1.61385229       1.48117117
Cr       5.11267000       1.78894000       2.58037000      -1.34211523      -0.14283977      -0.20608174
O       -0.07578000       0.62597000       6.36624000       0.58375722       0.50982498       0.07449975
O        4.26508000       1.52190000       0.74763000       1.39650749      -0.87064345       0.91926545
O        2.48398000       1.25089000       5.80217000       2.33496770      -0.72079640      -0.37193412
O        1.84667000       0.83859000       1.64184000      -1.10893894       0.93145176       0.16724422
O       -1.67003000      -1.02371000       4.43533000      -1.22362356       0.78673199       1.36594500
O        6.66119000       0.60492000       2.50855000       0.28948367       0.07804578      -1.04670311
O        1.12643000      -0.66754000       4.32741000      -1.15524056       0.58902831      -2.45012238
O        3.86142000       0.08778000       2.95053000       2.79782767      -1.34014783      -0.22820599
Zn      -2.96805000      -0.78184000       6.25046000       0.12213823      -0.36128275       0.54804284
Zn       7.86325000       1.76001000       1.28966000       0.74828545       0.00725770      -0.88375372
Zn       2.62296000       1.11362000       3.88119000      -2.00316077       0.52699565      -0.31528827
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.11925807 magmom=12.1459844 free_energy=-96.12594146 stress="-0.03147692967509316 0.028587804880793828 0.006446966655175899 0.028587804880793828 -0.003799222658086611 -0.006982214448001513 0.006446966655175899 -0.006982214448001513 0.02241315110569363" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.61373000      -0.49340000       6.11416000       1.04457397      -0.34176188      -0.68505905
Cr      10.59160000       2.59745000       1.07038000      -1.07493365      -0.00453775       0.44960585
Cr      -0.69915000       0.74258000       4.47501000       1.48418169      -0.58662811      -1.01929239
Cr       5.04410000       1.85547000       2.61150000       1.15388989      -1.24100919       0.54530499
O        0.07103000       0.64768000       6.34677000      -0.71522953       0.72616228       0.26949116
O        4.23176000       1.38646000       0.72343000       0.39939953       0.43278200       1.81619058
O        2.64470000       1.23428000       5.86838000      -0.67090654      -0.40748646      -1.08726748
O        1.64532000       0.65230000       1.64239000       1.39577616       1.18770359       0.37455942
O       -1.63973000      -0.97169000       4.59506000      -0.79243806       0.20590347      -0.14232924
O        6.56214000       0.65054000       2.43196000       0.93064531       0.21389974       0.21077104
O        1.08592000      -0.52506000       4.18147000      -0.30290282      -0.06995403       0.25228643
O        4.07648000      -0.02188000       3.12773000      -1.71331539       0.41934102      -0.86734747
Zn      -2.93181000      -0.90763000       6.17997000       0.84995440       0.10808870       1.25513250
Zn       7.95423000       1.87290000       1.26684000      -1.13770899      -0.43453453      -0.85675151
Zn       2.50826000       1.11830000       3.85794000      -0.85098597      -0.20796884      -0.51529481
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.46048338 magmom=12.0004141 free_energy=-96.46146535 stress="-0.03137780903012912 0.008753744479804608 0.015562179254338549 0.008753744479804608 -0.009605103132959161 -0.004357885509847031 0.015562179254338549 -0.004357885509847031 0.031517466054888525" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.67192000      -0.47823000       6.09715000       0.51684653      -0.22212213       1.06817356
Cr      10.50610000       2.59224000       1.09089000       1.65836563      -0.23774185       1.04294312
Cr      -0.61741000       0.69881000       4.48626000      -0.77900312       1.12490028      -0.98276511
Cr       5.06569000       1.84467000       2.66496000       0.17420943      -0.59907814       0.89318937
O        0.14018000       0.78222000       6.36617000      -0.69846535      -0.80178194       0.21763035
O        4.21891000       1.35576000       0.96505000      -0.03230151       0.78817352      -2.16256840
O        2.65434000       1.13969000       5.74327000       0.01399689       1.02730651      -0.22648632
O        1.73305000       0.73301000       1.70953000      -0.34479568       1.34665598       0.32922493
O       -1.67938000      -0.88151000       4.66613000       0.60052544      -1.07305851      -0.72893927
O        6.59720000       0.69257000       2.44823000       0.86243726      -0.43553414       0.61521515
O        0.97644000      -0.45265000       4.14072000       0.55906120      -0.65014017       0.80596832
O        4.00472000      -0.07666000       3.07278000      -1.29713315       0.27534623      -0.22446338
Zn      -2.86920000      -1.00001000       6.18960000       0.14233616       0.02610624       1.50980176
Zn       7.97582000       1.94112000       1.20485000      -1.61920174      -0.52048590      -0.87189017
Zn       2.37147000       1.11927000       3.80844000       0.24312201      -0.04854599      -1.28503391
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.59119233 magmom=11.9997277 free_energy=-96.59119234 stress="-0.00989200255717525 0.0035937663521297594 -0.0007058725020187238 0.0035937663521297594 -0.020627113796916043 -0.004588557843472434 -0.0007058725020187238 -0.004588557843472434 -0.019692781463909875" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.74686000      -0.47755000       6.14613000      -1.18447255       0.41604550       0.68047867
Cr       3.21352000      -0.31489000       1.16257000       1.09197290       2.57789044      -1.56887359
Cr      -0.57956000       0.70775000       4.44832000      -0.10258793       0.04128576       1.61149713
Cr       5.11417000       1.78992000       2.74446000      -1.67754340      -0.16094612      -0.89916638
O        0.12768000       0.78553000       6.40712000      -0.25937070      -0.57444869       0.03738500
O        4.20273000       1.49683000       0.87446000       1.30146138      -0.27777575       0.16957338
O        2.62914000       1.21042000       5.60414000       1.15965792       0.38504030       0.65706872
O        1.79061000       1.03697000       1.79717000      -2.10321078      -1.40429467      -0.98249494
O       -1.58752000      -0.97559000       4.59349000      -0.95999006      -0.36092052       0.97459254
O        6.71103000       0.64048000       2.59711000      -0.47323144      -0.33693822      -1.31295454
O        0.95114000      -0.50801000       4.29493000       1.17257298      -0.11087663      -0.68949397
O        3.73598000      -0.07025000       2.96485000       2.86792157       0.24374294       1.31381939
Zn      -2.79924000      -1.08577000       6.26760000      -0.28407736      -0.36688647      -0.15949308
Zn       7.91921000       1.97930000       1.10337000      -0.68451579      -0.14123706      -0.12681440
Zn       2.24505000       1.11804000       3.69768000       0.13541325       0.07031920       0.29487605
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-97.09716025 magmom=12.0000716 free_energy=-97.09716025 stress="0.020935606895356843 0.012675066616475746 -0.00942648285708901 0.012675066616475746 0.01873276710592231 -0.011460381184960554 -0.00942648285708901 -0.011460381184960554 -0.010933032989367661" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.75960000      -0.45767000       6.22519000       0.40105407       0.50782005      -1.57259362
Cr       3.29652000      -0.18544000       1.16479000      -0.14194893       0.91039707      -0.81657340
Cr      -0.56278000       0.71013000       4.48463000      -0.42714098      -1.87991550       0.86608831
Cr       5.09132000       1.72873000       2.77785000      -0.18592421      -0.25756584      -0.36445026
O        0.11881000       0.69837000       6.45223000       0.06847736       0.58528428       0.10249195
O        4.32922000       1.60759000       0.80971000      -0.16365188      -0.56717336       2.14643995
O        2.73110000       1.34616000       5.62919000      -0.62655671      -0.94049744       0.15717961
O        9.42798000       1.14767000       1.68528000       1.69512393      -0.66575633       0.07408014
O       -1.60207000      -1.12325000       4.64930000      -0.02997074       0.91907098       0.53484642
O        6.69435000       0.51755000       2.60154000      -0.08913403       0.23603853      -0.47139607
O        1.08761000      -0.59045000       4.37145000      -0.01837995       0.73363703      -1.11526429
O        3.95928000      -0.03210000       3.00238000       0.11782395       0.30504975       0.09057839
Zn      -2.74779000      -1.18448000       6.33925000      -0.44771379      -0.67131203      -0.83207985
Zn       7.82382000       2.01402000       0.99353000      -0.83559247       0.64320422       0.25920060
Zn       2.13795000       1.12103000       3.59923000       0.68353438       0.14171859       0.94145212
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.8083003 magmom=12.0002885 free_energy=-96.8083003 stress="0.008409626788382606 -0.0031762197275472816 0.011891846624554118 -0.0031762197275472816 -0.015747986765280355 -0.0029079664311127116 0.011891846624554118 -0.0029079664311127116 0.01633540197143289" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.79027000      -0.41043000       6.22914000       0.40166460       0.03468878      -0.50283745
Cr       3.37664000      -0.01582000       1.12314000      -1.34041260      -1.65528391       1.53143763
Cr      -0.58418000       0.61811000       4.56469000       0.17063868      -0.32287308      -0.54028361
Cr       5.08300000       1.67124000       2.79026000       1.60018434       1.02688307       0.78329055
O        0.18613000       0.74238000       6.49234000      -0.25163179       0.50604784      -0.53218450
O        4.36245000       1.60392000       0.99529000      -0.01099444       0.66147848      -1.95697680
O        2.66726000       1.29517000       5.72351000       0.57467778      -0.34379641      -0.29807336
O        1.63333000       1.10715000       1.55585000       1.20179599       0.25515902       0.39039893
O       -1.56261000      -1.10579000       4.76426000       0.12944557       0.21309312      -0.08685188
O        6.63527000       0.44370000       2.56351000       1.37616885       0.63899981       0.46092592
O        1.17135000      -0.56931000       4.30890000      -0.95495053       0.01790467       0.06565232
O        4.18915000       0.03791000       3.04940000      -3.15042708      -1.05522729       0.23785001
Zn      -2.72555000      -1.30717000       6.36342000      -0.73753482      -0.52214511      -0.94714973
Zn       7.70429000       2.07831000       0.91210000       0.24332475       0.39251840       1.24585460
Zn       2.07394000       1.12989000       3.55128000       0.74805069       0.15255262       0.14894736
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.55702995 magmom=12.0000739 free_energy=-96.55702995 stress="-0.011001557731630583 -0.005397018148774625 0.012781702706268825 -0.005397018148774625 -0.04069929674010632 0.005054944139651747 0.012781702706268825 0.005054944139651747 0.014354588933220317" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.83929000      -0.37316000       6.19034000      -1.28136691      -1.09904079       0.38125494
Cr       3.38991000       0.05026000       1.15121000       0.78237072      -2.71465395      -0.50982506
Cr      -0.59968000       0.51835000       4.61990000       2.35659098       2.52686760      -0.00077578
Cr       5.15192000       1.66453000       2.83173000      -1.24741946       0.39327824      -0.16902306
O        0.25475000       0.88698000       6.45983000      -0.82784505      -0.89998894      -0.14225926
O        4.37214000       1.68983000       0.91626000       1.42404083       0.27647046       0.28362657
O        2.66113000       1.21305000       5.76676000       1.98684815       1.81866019      -1.04264419
O        1.93711000       1.11704000       1.51363000      -2.75026164       1.31672645       0.55475565
O       -1.48137000      -1.08455000       4.81619000      -2.05274664      -1.68445287       0.08637375
O        6.74650000       0.47679000       2.65617000      -0.16249064      -0.18433670      -0.27219894
O        1.07629000      -0.53956000       4.29256000       0.28465796      -0.36333861      -0.20850339
O        3.94520000      -0.02301000       3.07970000       0.91723699       0.37353105       0.22210575
Zn      -2.74271000      -1.45509000       6.33584000      -0.66144404       0.28725809      -0.91160626
Zn       7.59751000       2.16716000       0.89643000       0.69583933      -0.21849847       1.33912958
Zn       2.04976000       1.14704000       3.51444000       0.53598943       0.17151826       0.38958972
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.27769626 magmom=11.9999971 free_energy=-96.27769626 stress="0.011955525571478868 0.0031554996773549226 -0.008323334747789126 0.0031554996773549226 0.005473138876300348 -1.723117766268182e-05 -0.008323334747789126 -1.723117766268182e-05 -0.009888724466650263" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.84891000      -0.37193000       6.15662000       0.54757646       0.78662170      -0.02975057
Cr       3.41612000      -0.02314000       1.16751000       0.80942941       1.37147383      -1.04705885
Cr      -0.52480000       0.52918000       4.67545000      -1.31975081       0.54604676      -0.36408714
Cr       5.19417000       1.69119000       2.87346000      -1.67005792      -0.27753784      -0.36075993
O        0.24266000       0.88803000       6.42765000       0.23625129      -0.58645367       0.94686466
O        4.56833000       1.81429000       0.81981000      -0.54068508      -0.80350852       1.36663268
O        2.80623000       1.37621000       5.62578000      -2.29042993      -0.55194964      -0.64676617
O        9.77835000       1.31847000       1.52595000      -1.46263397      -1.58681538      -0.11633400
O       -1.62558000      -1.27481000       4.80347000       1.08637854       1.04637923      -0.31561723
O        6.78749000       0.48071000       2.77993000      -0.40799667      -0.28134111      -0.96068071
O        1.02136000      -0.57472000       4.30617000       0.96702847      -0.42926986      -0.24328273
O        3.80172000      -0.01904000       3.08800000       2.12504156       0.77674697      -0.15531472
Zn      -2.78455000      -1.61492000       6.26743000       0.53781614       0.34252741       0.46238882
Zn       7.50795000       2.25841000       0.95007000       0.64381633      -0.45618500       0.82208009
Zn       2.05729000       1.17649000       3.49613000       0.73821621       0.10326513       0.64168579
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.88620697 magmom=11.9993571 free_energy=-95.88620697 stress="0.006657305007155926 0.005139228405348105 0.006457204833530923 0.005139228405348105 -0.010021624914226186 -0.002247503860218605 0.006457204833530923 -0.002247503860218605 -0.0186234916878897" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.87967000      -0.32769000       6.12649000      -0.84248839       0.25475175       0.80750459
Cr       3.49547000      -0.08062000       1.13344000      -0.47663809       0.98331876       0.56901261
Cr      -0.50135000       0.58727000       4.71042000      -0.95528310      -1.29974658      -1.20406060
Cr       5.16256000       1.71055000       2.89490000      -0.51353843       0.18239086      -0.99989651
O        0.30881000       0.76919000       6.53785000      -0.25737735       0.78826600      -0.88400924
O        4.63399000       1.78031000       0.92500000      -1.19693730      -0.79848609      -0.70919982
O       -4.71921000      -1.45534000       5.35720000       2.67445511      -1.85811622       1.12225900
O        9.48514000       1.38266000       1.50904000       0.86661145      -0.59232673       0.81732483
O        5.71239000       1.61577000       4.72651000       0.20665767       1.30344077       2.01116069
O        6.70324000       0.42846000       2.78658000       1.56643007       0.85611214      -0.71048074
O        1.08378000      -0.67566000       4.34439000      -0.89284550       1.13792219      -0.12516850
O        4.06443000       0.15314000       2.99253000      -1.00969092      -1.40747129       0.58816911
Zn       4.47963000       1.11696000       6.19254000      -0.23035433       0.55502495      -0.10199214
Zn       7.43222000       2.34811000       1.07140000       0.72874322      -0.06695738       0.29825060
Zn       2.11377000       1.22041000       3.50424000       0.33225589      -0.03812313      -1.47887386
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.91326073 magmom=11.9999915 free_energy=-95.91326148 stress="-0.020018441851925944 -0.0031784248527214564 0.011124436125587984 -0.0031784248527214564 -0.04115413366665948 0.005987895919495869 0.011124436125587984 0.005987895919495869 0.0008112567260849148" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.88334000      -0.28771000       6.11901000      -0.10538856      -2.48851425      -0.08050586
Cr       3.54464000      -0.09387000       1.12161000      -3.13313988      -0.36756452       0.55822026
Cr      -0.53962000       0.59367000       4.67519000       0.46670936       0.72385784      -0.07291890
Cr       5.13247000       1.75231000       2.87107000       1.80900998       0.01258473       0.14373623
O        0.37789000       0.80130000       6.52611000      -0.94131471       0.75438079      -0.54797400
O        4.42830000       1.59253000       0.94683000       1.46634353       0.52378657      -0.49364551
O        2.68288000       1.25567000       5.33729000       0.42467570       1.07880861      -0.05015678
O        9.36122000       1.34336000       1.62891000       1.60118072       0.00428549       0.00853062
O       -1.47928000      -1.07202000       4.88369000      -1.66138374      -0.83655735      -0.49982083
O        6.79564000       0.49722000       2.68662000      -0.34779098       0.17783554       0.15324077
O        0.99933000      -0.59920000       4.41411000       0.79355843       0.24739160      -0.89026009
O        4.20408000       0.07142000       2.96683000      -1.69116687      -0.54000079       1.26658629
Zn       4.43421000       0.94803000       6.11874000       1.01599913       0.52670305       1.09141077
Zn       7.39446000       2.43829000       1.21560000       1.00555415       0.20485185      -0.61785087
Zn       2.18543000       1.26609000       3.44447000      -0.70284627      -0.02184916       0.03140790
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.9083713 magmom=12.0007517 free_energy=-95.90963803 stress="-0.011939691374630251 -0.019756559032920326 -0.0009811144848781456 -0.019756559032920326 -0.023401955404441264 0.0026727367847009346 -0.0009811144848781456 0.0026727367847009346 0.007349717445084317" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.86775000      -0.36451000       6.10305000       0.11842593      -0.03277139      -0.12913495
Cr       3.43613000      -0.13227000       1.13967000      -0.88399444       0.35267648      -0.27898695
Cr      -0.55927000       0.63592000       4.63518000       0.22746773       1.66125119       0.77786941
Cr       5.19290000       1.79767000       2.85221000      -0.99511639      -1.04517064       0.25235188
O        0.33187000       0.92819000       6.42967000      -0.67594923      -1.40858219       0.76689864
O        4.39355000       1.52912000       0.87703000       0.85985305       0.98178403       0.54798569
O        2.78215000       1.21129000       5.37141000      -1.33965309       0.96147299      -0.08415981
O        9.52754000       1.31760000       1.66656000      -0.06666190      -1.07098861      -1.76548673
O       -1.60085000      -0.98074000       4.91983000      -0.00857857      -0.93718153      -1.24221819
O        6.81031000       0.59626000       2.66779000      -0.61457449      -0.25487239       0.32633726
O        1.00595000      -0.47488000       4.36319000       0.44068500      -0.75954315      -1.17047089
O        4.08025000      -0.11741000       3.10205000       0.69412449       1.70175165      -0.77889377
Zn       4.45121000       0.81771000       6.11078000       1.45849999       0.24604948       1.48510856
Zn       7.41415000       2.52667000       1.31347000       0.91316534       0.19488890      -1.58019079
Zn       2.22461000       1.30082000       3.39794000      -0.12769341      -0.59076483       2.87299063
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.277997 magmom=11.9997551 free_energy=-96.27799703 stress="-0.0021482854482556186 0.015816228892010058 0.007389451560021167 0.015816228892010058 -0.00790649514887741 -0.007320628348791844 0.007389451560021167 -0.007320628348791844 0.025897866390836303" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.83711000      -0.45053000       6.08555000      -1.42432775       1.78508307       1.09793202
Cr       3.29648000      -0.14665000       1.13211000       2.99414176       1.09497133      -0.86791593
Cr      -0.56515000       0.76217000       4.63399000      -0.37691087      -0.97324309      -0.53098318
Cr       5.19519000       1.78951000       2.83941000      -2.67061764      -0.21525574      -1.17395916
O        0.21613000       0.82424000       6.44795000       0.07037535      -0.26562928      -0.26390653
O        4.45470000       1.65330000       0.87698000      -0.62226572      -0.51960473      -0.19701889
O        2.60476000       1.33485000       5.41752000       2.00914610      -1.26779624       0.59600822
O        1.83676000       1.09190000       1.41686000      -1.30596309      -0.45252512       1.57973515
O       -1.68446000      -1.06047000       4.71327000       0.78865035       0.37044372       1.59496586
O        6.69569000       0.61212000       2.75143000       1.56995282      -0.52986167      -1.02977563
O        1.06119000      -0.48294000       4.17165000      -0.40850318      -0.12818623       0.42426856
O        4.08223000       0.01427000       3.06331000      -0.60496044       0.29605655      -0.44437511
Zn       4.54259000       0.70587000       6.17921000      -0.03694976       0.57163135       0.27783282
Zn       0.17988000      -0.29095000       1.33011000       0.01308893       0.45459943      -1.09020254
Zn       2.25612000       1.30769000       3.47571000       0.00514317      -0.22068334       0.02739434
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.31550378 magmom=12.0015277 free_energy=-96.31550466 stress="-0.019231589052032684 0.01329889287696689 0.0014398850726258208 0.01329889287696689 -0.003236341532315537 -0.0023165242219966866 0.0014398850726258208 -0.0023165242219966866 0.016106577817316257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.74807000      -0.44282000       6.11934000       0.39443601       0.16617275      -0.21735213
Cr       3.33827000      -0.11497000       1.06878000       0.36311836      -0.58075608      -0.26509126
Cr      -0.59643000       0.82510000       4.60322000       0.21958803      -2.72095506      -1.35593476
Cr       5.08431000       1.77512000       2.77398000       1.27451962       0.91527776      -0.16912126
O        0.15194000       0.68269000       6.42764000       0.13300100       0.95466971      -0.39365802
O        4.35932000       1.66838000       0.83944000       0.31747032      -0.84923663      -0.30407573
O        2.68102000       1.26250000       5.61230000       0.28116795      -0.26668802      -0.42665524
O        1.79415000       0.88173000       1.44190000       0.37021329       2.35010420       1.48770922
O       -1.60691000      -1.07088000       4.70287000      -1.18797313       0.85641005       0.61279599
O        6.75002000       0.54128000       2.68855000      -0.63893455       0.34382356      -0.67884573
O        1.04389000      -0.53368000       4.11824000       0.73784785       0.50696104       0.99256020
O        4.01563000       0.18912000       2.90735000      -0.68736697      -1.73522837       1.13262877
Zn       4.62928000       0.62681000       6.26204000      -0.26544155       0.46747293      -0.08963698
Zn       0.23770000      -0.18349000       1.28795000      -0.89171556      -0.17021722      -0.46576858
Zn       2.28130000       1.29896000       3.56455000      -0.41993067      -0.23781061       0.14044553
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.40074559 magmom=12.0019178 free_energy=-96.40074603 stress="0.01225101896705944 -0.01582819561886844 -0.003699651931657996 -0.01582819561886844 -0.016699592955388604 0.003189874408133668 -0.003699651931657996 0.003189874408133668 -0.017175530957541735" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.68483000      -0.41352000       6.13950000       1.82900437      -1.04415982      -1.26109421
Cr       3.40013000      -0.11546000       1.00073000      -3.51114874      -0.93912158       1.98696320
Cr      -0.63886000       0.74232000       4.49525000       0.63991709      -0.58592457       0.14981457
Cr       5.03244000       1.79891000       2.69744000       0.14026472      -0.50730348       0.70615866
O        0.15411000       0.74796000       6.33599000      -0.70832774       0.39696869       0.42613690
O        4.28305000       1.52214000       0.75057000       1.75552388       1.24314367       1.06468561
O        2.79830000       1.10977000       5.74263000      -0.34089597       1.07794515      -0.81693807
O        1.83390000       1.10953000       1.73861000       0.03567463      -0.15116364      -1.17211544
O       -1.63590000      -0.95938000       4.78678000      -0.43802178      -0.50872306      -1.04695988
O        6.67091000       0.53005000       2.53861000      -0.44414535       0.43604371       0.37173651
O        1.10203000      -0.53497000       4.29398000      -0.62824432       0.11878390      -1.07343542
O        3.90510000       0.07771000       2.90481000       1.70805441      -0.20535019       0.54326797
Zn      -3.16123000       0.57274000       6.33216000      -0.52009967       0.17579325      -1.03233764
Zn       0.25812000      -0.08209000       1.22364000       0.65236039       0.64054036       0.52167933
Zn       2.28674000       1.28011000       3.65698000      -0.16991590      -0.14747238       0.63243790
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.09715928 magmom=11.9999965 free_energy=-96.09715928 stress="0.0032661340903770604 -0.024900897124612447 0.006495525939458273 -0.024900897124612447 -0.030158400661141394 0.00475821485660765 0.006495525939458273 0.00475821485660765 -0.001696143224610958" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.72655000      -0.42593000       6.10363000       0.17714638      -0.13988564       1.05753455
Cr       3.29133000      -0.14341000       1.04965000       1.49605804       1.89583844       0.62626668
Cr      -0.66372000       0.61918000       4.39561000       0.47248280       1.63745718       1.11798979
Cr       5.01337000       1.79918000       2.66367000       0.60790359      -1.46261066       0.51442436
O        0.11345000       0.87004000       6.33235000      -0.17482561      -1.24062117       0.41086264
O        4.39271000       1.54190000       0.79725000      -0.88226479       0.38180772      -0.48519614
O        2.80002000       1.13599000       5.71407000       0.06192203       1.01009894      -0.42418545
O        9.77126000       1.30302000       1.81023000      -1.85039652      -2.99525847      -0.26699769
O       -1.70111000      -0.94598000       4.65635000      -0.11556451      -1.41368498       0.09573363
O        6.50948000       0.58407000       2.49465000       2.47091850      -0.37422978      -0.23133204
O        1.03627000      -0.52190000       4.30452000      -0.18548562      -0.10722577      -1.71449137
O        4.08054000      -0.06805000       2.97259000      -2.01680570       1.75657733       0.13415728
Zn      -3.11982000       0.52867000       6.34039000      -0.49668571       0.04216120      -1.51621751
Zn       0.29837000       0.04585000       1.19122000       0.01733531       0.96076766       1.07133826
Zn       2.28568000       1.25354000       3.77933000       0.41826178       0.04880799      -0.38988699
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.27091309 magmom=11.9998426 free_energy=-96.27091309 stress="-0.011521709311163605 0.004437303121081718 -0.01413506301115039 0.004437303121081718 0.00497526412289039 -0.016612917617478195 -0.01413506301115039 -0.016612917617478195 0.002391401472383787" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.77425000      -0.44741000       6.11474000      -1.95614814       0.65757104       0.61127757
Cr       3.22549000      -0.09880000       1.16341000       1.28428620      -0.25177409      -0.90244380
Cr      -0.67769000       0.56698000       4.36034000       0.50285145       0.80863094       0.93214063
Cr       5.03289000       1.72869000       2.65573000       0.80047237       0.40859907      -0.62903921
O        0.12501000       0.79272000       6.42599000       0.29090637      -0.11518978      -0.89679247
O        4.31016000       1.66274000       0.79744000      -0.50812810      -0.61483511       0.06623482
O        2.76420000       1.34105000       5.65412000       0.35623613      -0.55090569       1.32308529
O        1.78360000       1.06771000       1.73966000       2.63848378       2.07818727       1.36968522
O       -1.71714000      -1.16120000       4.48841000       0.31724147       0.26489656       1.62452354
O        6.69575000       0.54943000       2.46846000      -0.84243256      -0.53255617      -0.22241138
O        0.91364000      -0.53551000       4.04656000       1.29353345      -0.56813170       1.23960667
O        4.01999000       0.06307000       3.00390000      -0.76202623      -0.54756243      -0.04202361
Zn      -3.10177000       0.48305000       6.26603000      -0.12520614       0.18619392      -0.18292566
Zn       0.33818000       0.22905000       1.20752000      -2.92212299      -1.07118395      -1.34304326
Zn       2.29843000       1.22426000       3.88439000      -0.36794705      -0.15193988      -2.94787437
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.98854268 magmom=12.0007242 free_energy=-95.98854388 stress="-0.03837774294777676 0.03345183673522744 0.01179905682967759 0.03345183673522744 -0.018699433277861995 -0.006437033274677529 0.01179905682967759 -0.006437033274677529 0.00856683602906809" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.70636000      -0.43893000       6.17199000       0.12098035       0.09023624      -0.43111218
Cr       3.24677000      -0.05775000       1.21308000      -0.13281816      -1.07944573      -1.48343420
Cr      -0.64897000       0.55736000       4.38051000       1.98769900      -0.82986357       0.93488968
Cr       5.10572000       1.66229000       2.62482000      -0.92779682      -0.09963682       0.25068656
O        0.21814000       0.71178000       6.37242000      -1.76319451       0.97571760      -0.50202082
O        4.13115000       1.64617000       0.81029000       2.42122067      -0.29818276       0.39542030
O       -4.52993000      -1.45836000       5.81329000       0.36589751      -1.02532463      -0.72403344
O        1.98395000       1.12672000       1.88017000      -3.10401231       0.77859350      -0.42997084
O        5.63856000       1.59923000       4.54846000      -0.64207814       1.23477445       0.55471372
O        6.71266000       0.39812000       2.47674000      -0.99271356       0.45827922      -0.07618407
O        0.96702000      -0.65025000       4.04523000       0.39676056       0.09140646       1.26059227
O        3.85328000       0.15816000       3.00222000       2.31989005      -0.97946787       1.00318359
Zn      -3.09540000       0.44399000       6.17333000      -0.37512452       0.14506615       0.49035494
Zn       0.27309000       0.38351000       1.16699000       0.37444572       0.27991300      -1.04382132
Zn       2.29398000       1.19072000       3.86179000      -0.04915584       0.25793477      -0.19926420
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.19805467 magmom=11.9990958 free_energy=-96.19807537 stress="-0.0029920743367272086 -0.018840374268429723 0.00504565530107628 -0.018840374268429723 -0.02849202707577045 0.013003027412544305 0.00504565530107628 0.013003027412544305 0.011989280139669356" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.62669000      -0.42366000       6.22016000       2.15545068       0.17097323      -0.76508064
Cr       3.27253000      -0.06643000       1.19853000      -0.28392052       0.28927000       0.64210334
Cr      -0.53325000       0.51187000       4.45103000      -1.71090396      -0.58120107      -0.26982791
Cr       5.13894000       1.58728000       2.61906000      -1.32225215       0.90056613       2.36419714
O        0.09392000       0.79849000       6.25886000      -0.19544120      -0.57634621       2.64016037
O        4.29047000       1.56067000       0.87134000      -0.53692611       0.70832020      -0.80598264
O       -4.49959000      -1.52761000       5.88047000      -0.89713206      -0.55985951      -0.98977359
O        9.67874000       1.33659000       1.90473000      -0.30738586      -1.94726286      -0.72239024
O       -1.62360000      -1.24654000       4.69416000       0.49317945       0.17562989      -0.55224637
O        6.53935000       0.35012000       2.52015000       3.15656009       0.65745120      -0.52739283
O        1.08122000      -0.74807000       4.32695000       0.30452155       1.47125185      -1.01695198
O        4.05522000       0.06340000       3.06914000      -0.94097210      -1.05290583      -0.41021840
Zn      -3.10896000       0.41021000       6.10076000      -0.28306766       0.04007906       0.65280867
Zn       8.05541000       0.54122000       1.06082000      -0.48108683       0.13634093      -0.61793211
Zn       2.28959000       1.16485000       3.82112000       0.84937667       0.16769298       0.37852719
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.85051718 magmom=12.0003405 free_energy=-96.85053096 stress="0.012978062393406759 -0.014644326483983108 -0.009649132498438715 -0.014644326483983108 0.007956843049946968 -0.005786370890477046 -0.009649132498438715 -0.005786370890477046 0.0077595024659593385" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.66287000      -0.41242000       6.23651000       0.40014409      -0.52682183       0.80053560
Cr       3.27200000      -0.07383000       1.21830000      -0.43214137      -0.41804355      -0.33072109
Cr      -0.50021000       0.45718000       4.52019000      -0.20446828       1.83851309      -0.13929457
Cr       5.12860000       1.55909000       2.72628000       1.82244050       0.92962338       0.11443495
O       -0.01238000       0.81206000       6.53046000       0.90682012      -0.42622975      -0.45428404
O        4.35452000       1.57628000       0.85670000      -0.56718770       0.08162761       1.09269329
O        2.67501000       1.22304000       5.75306000       0.39225386       0.32673721      -0.16321375
O        9.53391000       1.25293000       1.76581000       2.32684472      -0.51987895       0.73648826
O       -1.50328000      -1.15560000       4.69893000      -0.96564566      -1.29654137      -0.45183276
O        6.76952000       0.42024000       2.51632000      -0.58211995      -0.58436868       0.66257643
O        1.16016000      -0.61803000       4.42642000      -0.61404691      -0.28176497      -1.71065678
O        4.14271000      -0.16765000       3.04151000      -1.08331355       0.75384566       0.55152467
Zn      -3.13798000       0.38214000       6.06720000      -0.11795856       0.16640608       0.85364311
Zn       7.96054000       0.68576000       0.92837000      -1.00601143      -0.15523781      -0.82865185
Zn       2.31695000       1.14981000       3.80264000      -0.27560988       0.11213390      -0.73324146
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.66256339 magmom=11.9999885 free_energy=-96.66256339 stress="0.0009493974386172745 0.012122062816209584 0.002607319452654443 0.012122062816209584 -0.008086758127534401 -0.017364721509984478 0.002607319452654443 -0.017364721509984478 -0.0036563108173897534" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.71924000      -0.43472000       6.28401000      -0.71354872      -1.11486941       0.13414229
Cr       3.25829000      -0.10804000       1.23963000       1.72972236      -1.19428210       0.68501594
Cr      -0.50738000       0.49095000       4.56266000       0.60643700       0.96124290      -0.08416709
Cr       5.20265000       1.59340000       2.82210000      -0.54205379      -0.21986132      -1.90525887
O        0.11641000       0.74450000       6.66196000      -0.12178713       0.02486031      -2.95286463
O        4.28286000       1.58712000       0.97686000       1.39638941      -0.20510492      -0.38765285
O        2.61165000       1.14683000       5.65964000       1.45689575       0.97009325       0.79981133
O        1.91135000       1.08252000       1.72415000      -2.74226801       0.34601710       0.27332865
O       -1.51135000      -1.24754000       4.62840000      -0.70286245       0.04781664       1.93877587
O        6.86279000       0.38354000       2.62369000      -0.88826548       0.04110094      -0.61450653
O        1.10100000      -0.53674000       4.30414000       0.12522435      -1.29979001       0.78885466
O        4.07254000      -0.21478000       3.08075000       0.54294269       1.33008278       1.06032666
Zn      -3.16877000       0.36475000       6.07509000      -0.32459731       0.14075269      -0.02581491
Zn       7.84532000       0.79972000       0.79459000       0.60664848       0.24308582       1.19089997
Zn       2.33016000       1.14139000       3.74662000      -0.42887714      -0.07114466      -0.90089050
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.98113661 magmom=12.0001001 free_energy=-96.98113661 stress="0.006652681921346384 0.006771003938743781 0.00949581948237601 0.006771003938743781 -0.009116663469166508 -0.007766208037530241 0.00949581948237601 -0.007766208037530241 0.03427989610319996" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.75410000      -0.50945000       6.32270000       1.43023013       0.08195732      -1.62963104
Cr       3.32717000      -0.20567000       1.28105000       0.30624198      -0.02956813      -0.12247005
Cr      -0.49670000       0.57388000       4.58562000      -0.64260254      -1.30069961      -0.06507148
Cr       5.26473000       1.62071000       2.82753000      -2.08855379      -0.61685005       0.73211989
O        0.26924000       0.69397000       6.40144000      -1.33156131       0.05582234       2.24033584
O        4.37910000       1.52604000       1.02134000      -0.13042665      -0.20994063      -0.60508205
O        2.75349000       1.21327000       5.74793000      -0.03444509      -0.27293375      -0.30236457
O        1.81471000       0.98515000       1.69020000      -0.18044525       0.45632875      -0.07139295
O        5.67909000       1.58493000       4.80672000       0.50691076       0.91191079      -0.07307856
O        6.72559000       0.35905000       2.67576000       1.20828845       1.04705669      -0.84377090
O        1.03520000      -0.68552000       4.35228000       1.23286815       0.53229885      -0.15003443
O        4.08333000      -0.00707000       3.22354000      -0.49108963      -0.68213195      -0.89434722
Zn      -3.21040000       0.35248000       6.09149000      -0.25567324      -0.04872788      -0.35226864
Zn       7.75838000       0.91815000       0.71758000       0.60583148       0.03606105       1.35621328
Zn       2.32012000       1.13102000       3.65743000      -0.13557345       0.03941622       0.78084289
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.62678492 magmom=12.0012718 free_energy=-96.62678494 stress="0.01887008295309161 0.0023307773259950443 0.0024484152989582807 0.0023307773259950443 0.004343769488113604 -0.00022135080826664376 0.0024484152989582807 -0.00022135080826664376 0.03524502427316908" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.00656000      -0.58785000       6.27436000      -0.46676121       0.72501320      -0.09710923
Cr       3.42636000      -0.32270000       1.31099000      -1.69106497       1.02793845      -1.83704235
Cr      -0.51789000       0.59094000       4.61274000      -0.02463665      -1.51132202       0.66695336
Cr       5.22606000       1.62933000       2.85237000      -0.93482668       1.12157637       0.30997850
O        0.26762000       0.64987000       6.49064000       0.00594839      -0.31016951       0.73497096
O        4.44036000       1.40526000       0.96171000       0.01372993       0.32486774       0.80262621
O        2.85225000       1.23381000       5.79289000      -0.62007333      -0.69299992      -1.01861802
O        1.69153000       1.01247000       1.63850000       1.67361066      -0.18372905       0.42950308
O       -1.59289000      -1.23671000       4.94697000       0.48882536       0.49013723      -1.57967512
O        6.70266000       0.48389000       2.61966000       0.76657062      -0.55793602       0.37892765
O        1.15700000      -0.76283000       4.42351000       0.26729642       1.14353104      -0.92680893
O        4.02203000       0.09771000       3.18093000       0.05075173      -1.46851726       0.02405001
Zn      -3.26465000       0.33290000       6.09695000       0.45067071       0.10864727       0.11437977
Zn       7.70055000       1.05087000       0.71248000       0.74246639      -0.16796801       1.24853241
Zn       2.29759000       1.12163000       3.59721000      -0.72250738      -0.04906951       0.74933169
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.81433367 magmom=11.9995235 free_energy=-95.81433367 stress="0.0038211799439084666 -0.0135444516717292 -0.005805664674694522 -0.0135444516717292 -0.02877686284485821 -0.0043205736247377904 -0.005805664674694522 -0.0043205736247377904 -0.012253232524512443" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.91322000      -0.64620000       6.21005000      -1.83331426       0.59030050       2.12451312
Cr      10.75123000       2.51179000       1.23683000      -0.16781461       2.55369855       0.60138842
Cr      -0.54488000       0.52843000       4.68418000       3.17358481       2.38498474      -0.67170758
Cr       5.12997000       1.68894000       2.89594000       0.41601340      -0.06839458      -1.15393263
O        0.31266000       0.55761000       6.72860000       0.16381020       0.13378084      -4.77599464
O        4.45406000       1.33624000       1.02125000       1.09809251       0.62091208      -0.31382394
O        2.80097000       1.09353000       5.63687000       1.03458141      -0.34864000      -0.17282375
O        1.89781000       1.00998000       1.61541000      -1.63789159      -1.93988296       0.03739622
O       -1.41900000      -1.04567000       4.75754000      -2.32581948      -2.44671428       0.88829878
O        6.75385000       0.56520000       2.65806000      -0.25992976      -0.55243465       0.09826568
O        1.32953000      -0.63094000       4.38320000      -2.01404470      -0.50240925      -0.06410802
O        3.98505000      -0.06638000       3.09059000       1.18577238      -0.04813317       1.56620103
Zn      -3.31116000       0.31166000       6.10893000       0.34210159       0.52460940       0.13903184
Zn       7.67628000       1.21528000       0.79292000       1.00885933      -0.54612896       1.44457787
Zn       2.23139000       1.10599000       3.56339000      -0.18400124      -0.35554826       0.25271760
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-95.84450976 magmom=11.9988838 free_energy=-95.84450976 stress="-0.0313837903619471 0.020926226930748134 0.0064581955857235295 0.020926226930748134 -0.009159342552803278 -0.020074523178312504 0.0064581955857235295 -0.020074523178312504 0.00470176108688853" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.90250000      -0.67922000       6.22710000       0.62256028      -0.28172768      -0.88855677
Cr      10.75274000       2.53783000       1.13554000       0.94375338      -0.19757731       0.93112912
Cr      -0.45065000       0.54669000       4.71958000      -1.86110115      -0.08295368      -3.21631435
Cr       5.09104000       1.74654000       2.88355000       3.21565986      -2.15971802      -0.25196915
O        0.45001000       0.50349000       6.38703000      -0.88945298       0.65661025       2.96209672
O        4.54975000       1.38573000       1.02488000      -0.79504701      -0.37998136      -1.88267197
O        2.83167000       0.88665000       5.45692000       0.01553900       1.30003078       1.02123291
O        1.97128000       0.76988000       1.55580000      -1.26057258       1.10405891       0.10856307
O       -1.51352000      -1.15926000       4.67556000       0.01268663       0.06766770       2.62912089
O        6.71721000       0.53233000       2.72939000       0.66129745       0.01491892      -0.81563541
O        1.16872000      -0.59793000       4.37054000       0.07821105      -1.52616294      -0.43448462
O        4.11009000      -0.25565000       3.17348000      -2.68069125       1.72879557      -0.63007331
Zn      -3.33505000       0.31274000       6.13302000       1.29322112       0.51826396       0.12856734
Zn       7.69553000       1.37683000       0.96309000       0.11242315      -0.76143791       0.53570006
Zn       2.14067000       1.07315000       3.54455000       0.53151306      -0.00078718      -0.19670452
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.29019872 magmom=12.0006854 free_energy=-96.29022776 stress="0.002262371178647023 -0.006536973679450161 0.008658733444177343 -0.006536973679450161 -0.012505717440812131 -0.006299829493804582 0.008658733444177343 -0.006299829493804582 0.032467108641259734" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.87999000      -0.70805000       6.19256000      -0.38544280       0.47187261      -1.47380302
Cr      10.78771000       2.56900000       1.10398000      -0.81166216      -0.40060939       0.58405290
Cr      -0.45978000       0.55733000       4.61008000      -2.64559684      -2.60023138       1.24990959
Cr       5.19609000       1.70443000       2.86706000      -1.77716845      -1.42947076       0.51462725
O        0.45139000       0.56269000       6.43204000      -1.18391920      -0.58870172       0.11981178
O        4.49233000       1.38175000       0.80130000       0.50397882      -0.07431501       1.98950728
O        2.81600000       0.91495000       5.48277000      -0.12681837       0.68314147      -0.00011936
O        1.85245000       0.71122000       1.51293000      -0.06597908       1.17107016       0.54193440
O       -1.60902000      -1.30020000       4.93565000       0.71126753       0.60799619      -1.23947358
O        6.73146000       0.46893000       2.69042000       0.39766681       0.29447314       0.06608355
O        1.01638000      -0.79800000       4.31283000       1.90495075       1.63738107      -0.79738303
O        3.97313000      -0.19711000       3.08319000       0.87845980       0.26308592      -0.80286606
Zn      -3.29629000       0.33557000       6.16712000       1.00705744       0.46136096       0.58591192
Zn       7.72568000       1.48720000       1.13616000       0.40449803      -0.43113542      -1.04774207
Zn       2.08706000       1.04167000       3.52009000       1.18870773      -0.06591784      -0.29045155
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.37837173 magmom=11.9988583 free_energy=-96.37840238 stress="0.00840194473270896 0.008787349451504368 0.002924798795066777 0.008787349451504368 -0.0020900574546693575 -0.011371995018191194 0.002924798795066777 -0.011371995018191194 0.00534827465259191" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -5.89625000      -0.70173000       6.10708000      -2.62956727       0.96308783       0.82516326
Cr      10.77810000       2.57669000       1.10937000      -1.51553265      -0.10987569      -0.89800490
Cr      -0.59838000       0.45707000       4.55890000       2.41042783      -0.44088829       2.30344632
Cr       5.21789000       1.59282000       2.87083000      -2.64067713      -0.24318925      -1.14199956
O        0.30293000       0.56183000       6.51123000       0.12129548      -0.26363672      -2.28923083
O        4.45118000       1.34959000       0.84454000       0.99225424       0.57760201       0.40802454
O        2.75342000       1.03877000       5.53270000       1.56878376      -0.85932634      -0.66056058
O        1.76376000       0.88248000       1.55681000       0.80026397       0.09369353       0.02760781
O       -1.54127000      -1.31696000       4.94368000      -0.68987548       0.48790683      -1.34872233
O        6.75916000       0.42509000       2.68850000      -0.09325900      -0.38705689      -0.32668675
O        1.11666000      -0.80939000       4.19745000      -0.64633997       0.30253013       0.53472426
O        4.00351000      -0.08792000       2.88370000       1.39082734      -0.23798334       2.67328221
Zn      -3.21312000       0.37684000       6.22582000      -0.10461162       0.55518500       0.91876696
Zn       7.77006000       1.56066000       1.23690000       0.17404875      -0.19887482      -1.37029436
Zn       2.10104000       1.01105000       3.48467000       0.86196176      -0.23917400       0.34448393
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.28914433 magmom=11.9999668 free_energy=-96.28914433 stress="0.00161846472251307 -0.02177553425575488 0.0009016884912967019 -0.02177553425575488 -0.0313370413712131 -0.004221079007271456 0.0009016884912967019 -0.004221079007271456 0.009896498934108027" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.03553000      -0.64846000       6.05354000       1.32020620       0.07908291       0.18419612
Cr      10.71188000       2.59318000       1.08231000       1.43122922       1.60161071       0.02616206
Cr      -0.63133000       0.33517000       4.62255000       1.25143990       1.44795985      -2.56647812
Cr       5.11623000       1.47940000       2.81240000       1.77407213       2.09839810      -0.62622591
O        0.22763000       0.52578000       6.27268000       0.63512990       0.39324439       3.04767830
O        4.46878000       1.39839000       0.93067000      -0.84160406      -0.01526332      -1.84713047
O        2.84426000       1.03303000       5.51967000      -0.57588297      -0.21524021       0.31795220
O        1.85927000       1.07102000       1.58597000      -0.26381062      -1.49249020      -0.04553219
O        5.75134000       1.62831000       4.67937000      -1.15393107      -1.40890003       1.59089723
O       -1.11560000       0.32596000       2.67580000       0.60616430       0.14198500      -0.77152491
O        1.13732000      -0.73764000       4.22241000      -0.26094124      -0.36880696      -0.37503487
O        4.21942000      -0.09770000       3.02845000      -2.90120870      -2.16244762      -0.11727440
Zn      -3.13472000       0.44520000       6.32562000      -0.68407481       0.62666017       0.03004537
Zn       7.81497000       1.61864000       1.26619000      -0.85402371      -0.63858755      -0.55063905
Zn       2.16420000       0.96994000       3.47513000       0.51723552      -0.08720525       1.70290864
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.60884126 magmom=12.0000087 free_energy=-96.60884126 stress="0.007842994609249513 -7.190775879782456e-05 -0.0008116716740946218 -7.190775879782456e-05 -0.003521957883259109 -0.015514609991992216 -0.0008116716740946218 -0.015514609991992216 0.021178832776287133" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.75492000      -0.58763000       6.02068000       2.10234114      -1.17849291       1.36761156
Cr       3.41744000      -0.23113000       1.05045000      -0.55520649      -0.74027886       1.03063288
Cr      -0.59876000       0.27791000       4.57949000      -0.60278860       0.86038522      -1.13878394
Cr       5.08011000       1.44564000       2.71375000       0.79371379      -0.29148982       0.41340141
O        0.26015000       0.57230000       6.43276000      -1.45293036       0.27374326      -1.33182013
O        4.33407000       1.45513000       0.74353000       1.56828146      -0.05642671       0.89540774
O        2.80067000       0.95796000       5.57130000      -0.25388462       0.74919059      -0.00767296
O        1.94249000       1.01369000       1.58809000      -1.23995794      -0.33561157       0.14882480
O        5.63372000       1.48186000       4.63308000       0.87704073       0.05489644       1.00667336
O       -1.07309000       0.24868000       2.56241000      -0.35060954       0.03296632       0.07588400
O        1.07275000      -0.73926000       4.22817000      -0.40670175      -0.85249579      -0.79218219
O        4.06268000      -0.36793000       3.12520000       0.09155891       1.48773260      -1.49198641
Zn      -3.09575000       0.54506000       6.42795000      -0.98648971       0.66727121      -0.80931313
Zn       7.82231000       1.64536000       1.25965000       0.03482146      -0.70060088      -0.15681939
Zn       2.25952000       0.92449000       3.55093000       0.38081152       0.02921088       0.79014239
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.54921297 magmom=11.9999709 free_energy=-96.54921299 stress="0.01004781059154499 0.003337347462560103 0.0009297187155659687 0.003337347462560103 0.0002362187570874833 -0.009191178169013013 0.0009297187155659687 -0.009191178169013013 0.02285806228511408" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       1.78918000      -0.58964000       6.05835000      -1.94419691      -1.37997200       0.04161212
Cr       3.40333000      -0.17728000       1.05940000      -1.61263270      -2.10407334      -1.00536365
Cr      -0.61661000       0.26525000       4.44658000       0.59200092       0.00161988       1.19582352
Cr       5.10814000       1.41414000       2.64129000       0.04611854      -0.25683453       0.85991189
O        0.13874000       0.66618000       6.42752000       0.18424453      -0.69551072      -1.13859949
O        4.38174000       1.48073000       0.70126000       0.74486408       0.00470691       1.57999009
O        2.66250000       1.01457000       5.64545000       1.46915575       0.99427897      -0.66720312
O        1.83010000       0.86322000       1.60611000      -0.15701151       0.67743362       0.39738747
O        5.70043000       1.34793000       4.75381000      -0.89731768       1.02760104      -0.90991122
O       -1.12515000       0.17562000       2.48845000      -0.53772883       0.25419132       0.19607483
O        0.94934000      -0.89259000       4.16170000       1.13278581       0.04217226      -0.01001208
O        3.93586000      -0.38922000       2.90900000       1.56048039       1.26772909       0.87791895
Zn       4.75598000       0.68540000       6.49246000      -0.44300391       0.63493179      -0.79984412
Zn       7.82549000       1.63608000       1.24233000       0.44354609      -0.43771502      -0.12583142
Zn       2.37719000       0.87441000       3.67678000      -0.58130457      -0.03055927      -0.49195377
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.09250301 magmom=12.0001259 free_energy=-96.09250301 stress="0.008741603820811414 -0.0001960503454626368 0.007490945014543555 -0.0001960503454626368 -0.009424681432725098 -0.002941041336408446 0.007490945014543555 -0.002941041336408446 0.01841015323595964" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.12384000      -0.65936000       6.10766000      -0.56625096       0.99521615      -0.94757130
Cr       3.29669000      -0.23912000       1.02634000       0.36685328      -1.05333735       0.13981422
Cr      -0.62405000       0.25724000       4.36604000       0.46846856      -0.48616213       1.41207818
Cr       5.15424000       1.37870000       2.62380000      -0.99308732       1.23025141       1.55262623
O        0.08918000       0.62601000       6.22727000       0.66725836      -0.93211900       2.09598051
O        4.47280000       1.44420000       0.85241000      -1.89640626      -0.37058362      -2.55077703
O        2.71569000       1.19724000       5.65949000       0.63332878      -1.37903469       0.23732792
O        1.74593000       0.82421000       1.67953000       1.03595681       0.69552187       0.07490375
O        5.69515000       1.40226000       4.70479000      -0.54100285       0.40792298      -0.44962005
O       -1.27740000       0.15485000       2.50864000       2.42755205       0.66746133      -0.64380506
O        1.00300000      -1.02277000       4.13696000       0.99866664       1.52574068      -0.15069581
O        4.08057000      -0.15903000       2.80014000      -1.59392200      -1.48385075       1.51543634
Zn       4.72300000       0.86383000       6.51146000      -0.32521293       0.35014978      -0.91054833
Zn       7.84457000       1.60356000       1.21554000      -0.21128194      -0.21220100      -0.20764925
Zn       2.47498000       0.81859000       3.77996000      -0.47092022       0.04502435      -1.16750031
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.6294084 magmom=11.9998812 free_energy=-96.6294084 stress="0.015551902759359002 9.372672029443211e-05 0.0074438089254135744 9.372672029443211e-05 -0.00157110406388474 -0.008306425301197354 0.0074438089254135744 -0.008306425301197354 0.0033415342107081638" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.20118000      -0.70026000       6.09628000       2.91993646      -0.44292196      -0.89036541
Cr      10.50116000       2.54816000       1.00150000       1.39013637       0.14112555       1.75494864
Cr      -0.59399000       0.24457000       4.37748000       1.36256272       1.36403453       0.67265747
Cr       5.15314000       1.40629000       2.65876000      -1.40899367       0.88302210      -1.10361103
O        0.18506000       0.43641000       6.34579000      -2.11748774       0.84123126      -1.12265908
O        4.21118000       1.31026000       0.68687000       0.83420594       0.35482894       1.63598376
O        2.83181000       1.14416000       5.74016000      -1.17406317      -0.88935516      -0.06022262
O        1.87986000       0.91706000       1.75044000      -1.23489393      -0.36559483      -0.20975694
O        5.65064000       1.54453000       4.53322000       0.67310339      -0.78457187       1.02437539
O       -1.10379000       0.25629000       2.47907000      -0.00900086      -0.12166885      -0.50903859
O        1.18028000      -0.90218000       4.14732000      -1.06623328       0.06355620       0.30286980
O        4.03161000      -0.15525000       2.94539000       0.75497473      -1.13452058      -0.60020843
Zn       4.66825000       1.05887000       6.48198000      -0.36402015      -0.19403766      -0.59538142
Zn       7.86081000       1.56252000       1.17626000       0.16561979      -0.13407476       0.12014595
Zn       2.54398000       0.76534000       3.82619000      -0.72584662       0.41894709      -0.41973750
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.64262115 magmom=12.0001715 free_energy=-96.64262123 stress="-0.0010053136458799089 -0.0031046804424822126 0.00819552710327503 -0.0031046804424822126 -0.01271391722082979 -0.011060564110061443 0.00819552710327503 -0.011060564110061443 0.007230500407761287" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.14473000      -0.75156000       6.06144000      -0.81742757      -0.56212416       1.97194519
Cr      10.49138000       2.44774000       1.06596000       0.46439189       1.28421296      -0.14079249
Cr      -0.51462000       0.29928000       4.42098000      -0.03634851       1.19201838      -0.54765218
Cr       5.09558000       1.47940000       2.64644000       1.50422333      -0.72496894      -0.79541239
O        0.05034000       0.39218000       6.32186000       0.33365570       0.49046306      -0.09264494
O        4.07477000       1.23021000       0.72003000       2.44323424       0.33795421       0.81207837
O        2.70656000       0.91905000       5.81758000       0.49394528       0.36282615      -0.68686487
O        1.85028000       0.90538000       1.77325000      -1.20562377      -1.63459259       0.59650676
O        5.77118000       1.56363000       4.50602000      -0.61611282      -0.51501191       0.69769264
O        6.89361000       0.32837000       2.42571000      -1.67799196      -0.59945088       0.23161405
O        1.15317000      -0.76411000       4.23132000       0.05062028      -0.81267110      -0.90133711
O        4.08369000      -0.35150000       2.95622000      -0.27911325       1.07097005       0.17111493
Zn      -2.69474000      -1.68999000       6.42307000       0.16314747      -0.31357164      -0.55404169
Zn       7.87786000       1.52688000       1.14221000      -0.24561098       0.20853276       0.16347208
Zn       2.57081000       0.73517000       3.84051000      -0.57498932       0.21541365      -0.92567837
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.83725585 magmom=11.9998345 free_energy=-96.83725585 stress="0.0028804127523067154 0.008297605156266678 0.003973571956643046 0.008297605156266678 -0.002057967453272178 -0.014324115083230156 0.003973571956643046 -0.014324115083230156 0.015769519360096757" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.12775000      -0.84078000       6.13138000      -1.43396546       0.07888927       0.75428062
Cr      10.52103000       2.40898000       1.13700000       0.48079725      -0.06062309      -0.08436157
Cr      -0.46575000       0.40384000       4.42339000      -1.34187871      -0.98624765      -0.72503137
Cr       5.13496000       1.50556000       2.60223000       1.30491811      -1.02291197       1.56076762
O        0.01452000       0.47582000       6.29992000       1.08945136      -0.53525896       1.89401970
O        4.29686000       1.21298000       0.87829000      -0.95211058      -0.15711990      -1.48920932
O        2.62892000       0.79498000       5.77351000       1.61290142       1.31852787      -0.39829622
O        1.69818000       0.63956000       1.84240000       1.06901957       0.46084687      -0.58327951
O        5.83221000       1.52767000       4.60164000      -1.29760908       0.78730204      -0.04831253
O        6.69845000       0.28292000       2.44868000       0.51947945       0.29665135      -0.27036228
O        1.11025000      -0.79475000       4.23706000       0.90855791      -0.44910062      -0.14004386
O        4.10103000      -0.35130000       2.93391000      -1.15937335       0.52534892       0.64584312
Zn      -2.74347000      -1.55256000       6.33706000       0.33841263      -0.36051107      -0.61405243
Zn       7.87661000       1.50846000       1.11855000      -0.54834909       0.08563877       0.20796276
Zn       2.56326000       0.72052000       3.80686000      -0.59025141       0.01856814      -0.70992474
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.17055002 magmom=11.999811 free_energy=-96.17055266 stress="-0.015518907114987657 0.010190030698268446 -0.002135285745395393 0.010190030698268446 -0.020756433621778137 -0.006968179453539558 -0.002135285745395393 -0.006968179453539558 -0.008390206601122312" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.16934000      -0.91166000       6.24870000       2.39200005       2.46638772      -1.88409327
Cr      10.58615000       2.37198000       1.21084000       0.73072928      -0.60737506      -0.66464012
Cr      -0.51105000       0.45542000       4.39899000      -0.51558852      -1.98519025       1.15156947
Cr       5.23448000       1.46964000       2.62911000      -3.94876617      -0.13427307       1.13519839
O        0.19296000       0.43075000       6.54682000      -1.41078411      -1.62613673      -1.32499901
O        4.36398000       1.17459000       0.83908000      -0.33859129       0.04787722       1.35700343
O        2.76311000       0.90280000       5.68125000      -1.10988137      -0.50080863       0.28719789
O        1.75025000       0.44287000       1.78814000      -0.54845098       1.44134516      -0.25846026
O        5.74279000       1.62274000       4.65438000       0.51989512       0.09931067      -0.82831710
O        6.59281000       0.25522000       2.48115000       3.18894270       0.30971439      -0.11638624
O        1.16882000      -0.93178000       4.26610000      -0.40397188       0.98311517       0.09062063
O        3.96807000      -0.26166000       2.98280000       2.16830913      -0.96579749       0.32370787
Zn      -2.77889000      -1.42682000       6.21848000       0.08914766      -0.12114159       0.46664952
Zn       7.85535000       1.50065000       1.10116000       0.34341575       0.03067682      -0.39738151
Zn       2.51838000       0.71319000       3.73399000      -1.15640536       0.56229568       0.66233031
15
Lattice="7.859700203 0.0 0.0 7.299574803 2.913948348 0.0 -10.354339485 -1.990333339 7.305895266" Properties=species:S:1:pos:R:3:force:R:3 energy=-96.51254826 magmom=11.9992967 free_energy=-96.51255754 stress="-0.02115862320040165 0.020786336042883293 -0.003913907691942773 0.020786336042883293 -0.007448887516559124 -0.007544292896974471 -0.003913907691942773 -0.007544292896974471 -0.011314435178156858" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -6.09097000      -0.86697000       6.27725000       0.28576959      -0.28250088      -1.01126315
Cr      10.69103000       2.30906000       1.25022000      -1.23252026      -0.23076123      -0.82715206
Cr      -0.59146000       0.40204000       4.43603000       2.32506480       0.32455338       1.29064390
Cr       5.17142000       1.41592000       2.72439000       1.32725082      -0.11779165      -0.59663871
O        0.22828000       0.17614000       6.60275000      -1.10582739       1.85820058      -0.81236290
O        4.31225000       1.11543000       0.97473000       1.53103853      -0.12126800      -0.44255015
O        2.68907000       0.93158000       5.66051000       0.46440514      -0.91130351      -0.10360782
O        1.80500000       0.50231000       1.65361000       0.24684742       0.76273965       0.96122936
O       -1.55465000      -1.20057000       4.54813000      -0.65781779      -1.80121632       0.91946374
O       -0.93341000       0.29229000       2.53310000      -1.48177992      -0.07528608      -0.51745405
O        1.12294000      -0.93426000       4.37820000       0.00263874       0.69643331      -0.44791251
O        4.19470000      -0.34964000       3.06436000      -0.90359806       0.29325525       0.69258944
Zn      -2.81166000      -1.29401000       6.10764000      -0.07153581      -0.17503812       0.84962495
Zn       7.84911000       1.49766000       1.06549000       0.14402996       0.03175367      -0.22736116
Zn       2.40816000       0.72909000       3.67827000      -0.87396577      -0.25177005       0.27275113
