14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-110.54945791 magmom=19.9522534 free_energy=-110.54945791 stress="-0.039510737111112894 0.007519605512645864 0.0002808026432038173 0.007519605512645864 -0.037618812525116584 0.0003160062963265529 0.0002808026432038173 0.0003160062963265529 -0.04576452520783157" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54438000       2.88354000       0.00000000      -0.00074678       0.00040145      -0.00004377
Cr      -0.36177000       2.88354000       2.17911000       0.00058896      -0.00043500      -0.00002784
Cr       1.45307000      -0.00000000       1.08956000       0.00014642      -0.00000880      -0.00011739
Cr       3.08704000      -1.44177000       3.26867000      -0.00007198      -0.00015821      -0.00001273
Cr       4.35923000      -0.00000000       1.08956000      -0.00011237      -0.00001814      -0.00009638
Cr       2.72526000       1.44177000       3.26867000       0.00011832       0.00014971      -0.00000444
O       -0.01088000       1.37926000       0.92072000       0.17541876      -0.21685459      -0.27635177
O       -1.89804000       3.04445000       3.43751000      -0.23566257       0.15182725       0.27533581
O       -1.53627000       0.16090000       3.09983000      -0.23688545       0.14709916      -0.27611077
O        2.89527000       1.37926000       1.25839000       0.17995568      -0.21496176       0.27523589
O        2.19349000       4.38783000       1.25839000      -0.17541648       0.21690610       0.27636815
O        1.53627000      -0.16090000       3.09983000       0.23554743      -0.15185536      -0.27522232
O       -0.71266000       4.38783000       0.92072000      -0.17991431       0.21490550      -0.27521850
O        1.17450000       2.72264000       3.43751000       0.23703438      -0.14699731       0.27626607
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.40131104 magmom=19.9986236 free_energy=-109.40131104 stress="-0.05184016570440771 0.030384940154533056 -0.004344378784234473 0.030384940154533056 -0.03731345542924552 -0.0014119762581920707 -0.004344378784234473 -0.0014119762581920707 -0.06305848110525619" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.08704000      -0.01130000       4.30460000       1.03341571      -0.83232065      -0.09409285
Cr      -0.35255000       2.83468000       2.23086000      -0.42164732       0.27610612      -0.91755654
Cr       1.47039000       0.09652000       1.05848000       1.53108553      -2.49695549       1.49636716
Cr       3.06186000      -1.45135000       3.26666000      -0.37218021       0.15787732      -0.93049427
Cr       4.40894000      -0.01749000       1.09842000      -1.39027773      -0.55880150      -0.63140419
Cr       2.73802000       1.48942000       3.34655000       0.01474934      -1.47056182      -1.39658943
O        0.06683000       1.29287000       0.94877000      -1.70065680       2.32454222      -0.42678003
O       -1.83473000       3.11319000       3.52669000      -1.00440088      -0.23907873      -1.69321919
O       -1.52567000       0.11885000       3.00047000      -0.89959822       0.54778677       1.17192957
O        2.94440000       1.32822000       1.18709000       0.38179354       1.39098868       0.96940712
O        2.14800000       4.38401000       1.08749000       0.12183792       0.68232313       2.24556362
O        1.52432000      -0.12905000       3.04235000       0.71632575      -0.25491626       0.63280835
O       -0.68459000       4.43149000       0.97827000       0.12559130      -0.69577196      -0.38480600
O        1.07848000       2.57662000       3.49350000       1.86396207       1.16878217      -0.04113334
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.48283839 magmom=20.0061971 free_energy=-108.48285327 stress="-0.0768669402306635 0.016311415870586647 -0.004951932931113708 0.016311415870586647 -0.044435387544509104 -0.012719221430047221 -0.004951932931113708 -0.012719221430047221 -0.04632645741824571" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14136000      -0.07367000       4.22270000       1.36461073      -0.07718334       1.48678660
Cr      -0.35772000       2.79418000       2.26574000       0.09326077       1.59448646       0.70703040
Cr       1.59732000       0.08747000       1.10850000      -2.41766700       0.57120603      -0.67070200
Cr       2.99659000      -1.45014000       3.20085000       1.15593292       0.48725770       1.38885723
Cr       4.39337000      -0.07641000       1.08181000       0.63306177       1.66051796       0.80806398
Cr       2.76108000       1.45127000       3.36511000       0.26826176       0.29329012      -0.76405105
O       -0.19280000       1.62080000       0.91851000       2.02430836      -4.08349752      -2.44051652
O       -1.92715000       3.10512000       3.29011000      -0.54861241       0.37469024       2.71222261
O       -1.64049000       0.15488000       3.14035000      -0.06051957       0.06128341      -1.91179963
O        3.01794000       1.55921000       1.23714000      -0.69254870      -1.97122222       0.68465301
O        2.16849000       4.42627000       1.23831000       0.55588401      -0.55055355      -0.66889224
O        1.58394000      -0.10433000       3.13853000      -0.85424488       0.19442773      -0.76481265
O       -0.59575000       4.33296000       1.02357000      -0.32130724       1.70163023      -0.62230187
O        1.27151000       2.69658000       3.47583000      -1.20042052      -0.25633326       0.05546212
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.47409939 magmom=20.0065533 free_energy=-107.47410264 stress="-0.08807707107193859 -0.03360942470444517 -0.006887065606094258 -0.03360942470444517 -0.07453037312476556 0.005375930092962695 -0.006887065606094258 0.005375930092962695 -0.08188966538189046" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.13188000      -0.19060000       4.18124000      -0.35336880       0.25925193       1.94320185
Cr      -0.38114000       2.82004000       2.29588000      -0.64526122      -0.21117666      -1.46544521
Cr       1.66193000       0.07799000       1.16223000      -3.15984276      -0.24881397      -1.44790999
Cr       2.96458000      -1.39344000       3.17965000       1.04860401      -0.57186234       1.19787122
Cr       4.40517000      -0.07079000       1.08964000       1.79441337       1.89655042      -0.68931280
Cr       2.79217000       1.41775000       3.34234000      -1.59485536       3.07952770       0.90756858
O       -0.26240000       1.52936000       0.65704000       1.44959239      -0.34200594       3.79406134
O       -2.05833000       3.09849000       3.34381000       2.40597759       0.33462907       1.41475437
O       -1.67134000       0.16277000       3.12518000       1.68086343      -0.17190727      -1.48605674
O        2.89094000       1.60389000       1.37458000       0.33724328      -1.89154841      -0.60386020
O        2.33036000       4.39465000       1.31352000      -1.33030684       0.05714373      -2.33224134
O        1.48475000      -0.02248000       3.20398000       0.90570934      -0.39579252      -1.85930303
O       -0.48854000       4.44493000       1.01701000      -0.93255609       0.46977425      -0.26738132
O        1.26027000       2.81304000       3.40695000      -1.60621232      -2.26377000       0.89405328
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.07447656 magmom=20.0026878 free_energy=-107.07450702 stress="-0.06254293910490695 -0.05004027296938573 -0.005645899623403118 -0.05004027296938573 -0.06350000816963614 0.024782319348895597 -0.005645899623403118 0.024782319348895597 -0.11542543826264276" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09764000      -0.33000000       4.24810000      -0.20946305       1.06621574       0.74053348
Cr      -0.45244000       2.88206000       2.23582000      -0.69971342      -0.09514991      -1.76695010
Cr       1.56057000       0.03657000       1.14574000      -0.69310039      -0.86791600      -0.27857494
Cr       3.00378000      -1.33630000       3.23531000       0.52515936      -1.16195282      -0.83535485
Cr       4.49912000       0.01997000       1.06405000      -3.82964714      -1.62472681      -0.87416864
Cr       2.75199000       1.54949000       3.35481000      -0.68437185      -0.60940837      -0.67622243
O       -0.06691000       1.33939000       0.88321000       1.47501751       3.03615807      -0.21675576
O       -1.81440000       3.11246000       3.62391000      -0.83842834       0.56430802      -2.20413358
O       -1.38048000       0.09364000       2.92164000      -1.95456144       0.84906347       1.71558582
O        2.72583000       1.39511000       1.39899000       3.55701995       1.56504067       0.23475241
O        2.36980000       4.34197000       1.03352000      -1.13046155       0.42872059       2.37470235
O        1.42928000       0.01470000       3.05977000       2.15877300      -1.19841467       1.20869054
O       -0.54615000       4.60514000       0.97023000      -1.49117698      -3.34341473      -0.27438554
O        0.91640000       2.59954000       3.44401000       3.81495432       1.39147676       0.85228123
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.84261775 magmom=20.0006508 free_energy=-108.84261777 stress="-0.018689585243759414 0.04699229805413473 0.0038202908222089572 0.04699229805413473 -0.015816912874029126 0.02272997913414566 0.0038202908222089572 0.02272997913414566 -0.08354286975125484" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07504000      -0.34876000       4.32108000      -0.43071606       1.46022426      -0.45909449
Cr      -0.49829000       2.91564000       2.15045000       1.36684647      -0.93527440       0.74203497
Cr       1.47148000      -0.02551000       1.12581000       1.32509184       0.43668366       0.69514883
Cr       3.05662000      -1.35055000       3.24070000       1.56031009      -0.76695146      -0.10826868
Cr       4.43027000       0.02619000       1.03339000      -1.19677277      -0.19975129       1.68003775
Cr       2.70050000       1.60977000       3.33377000       0.99785657      -2.50157967      -1.24716873
O        0.15918000       1.52793000       1.05385000      -0.34924478      -1.76724550      -2.43347588
O       -1.74203000       3.16354000       3.53388000      -2.63669717       0.32647316       0.68638352
O       -1.39570000       0.11737000       3.00182000      -1.41752504       0.56719743       0.11675913
O        2.99104000       1.40824000       1.37321000       0.19406372      -0.91298354       0.28162002
O        2.23751000       4.34462000       1.12021000      -0.13496528       0.58774913       1.27786293
O        1.61615000      -0.11549000       3.10501000      -0.62257524       0.41382972       0.25662767
O       -0.74429000       4.34953000       0.92488000       0.51212804       1.79478370      -0.65758838
O        1.09594000       2.68994000       3.47796000       0.83219961       1.49684481      -0.83087868
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.53302459 magmom=20.0016828 free_energy=-109.53302459 stress="-0.04812069416011292 0.03770092648701818 -0.0037422792294935477 0.03770092648701818 -0.06049347148855863 0.013433914083238133 -0.0037422792294935477 0.013433914083238133 -0.0457133684758359" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07583000      -0.28294000       4.34242000      -0.39688526       1.05101090      -0.19812200
Cr      -0.46099000       2.89185000       2.13407000       0.50551667      -0.66876054       0.63240005
Cr       1.47571000      -0.04186000       1.14984000      -0.38939432       0.80493004      -0.14306571
Cr       3.13752000      -1.37951000       3.24308000      -0.41214987       1.05270867       1.09053214
Cr       4.34293000       0.00455000       1.07372000       1.76659509      -0.32312279      -0.09308180
Cr       2.70513000       1.53414000       3.27030000       0.58706044      -0.64465563       0.22831927
O        0.18180000       1.49977000       0.90181000      -0.51579608      -0.76178490       0.23889320
O       -1.93887000       3.18412000       3.45327000       1.49142859      -1.32296338       0.24099037
O       -1.53499000       0.18839000       3.12388000       0.31431876       0.90701584      -0.84306250
O        3.10647000       1.39297000       1.31931000      -1.62168426       0.14310804       0.19877760
O        2.16668000       4.39535000       1.30685000       0.68422434      -0.06977772      -1.17078590
O        1.60282000      -0.13863000       3.18797000      -0.66680028       0.69332553      -0.84027830
O       -0.76839000       4.37593000       0.87753000       0.41559832       1.11029003       0.10889902
O        1.27577000       2.91459000       3.39346000      -1.76203214      -1.97132410       0.54958458
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.83542329 magmom=20.0033488 free_energy=-109.83542329 stress="-0.0512171420645411 0.0025127686471855923 -0.005385740153723757 0.0025127686471855923 -0.052004911623536286 0.007923463471624764 -0.005385740153723757 0.007923463471624764 -0.046599331971727644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09331000      -0.16194000       4.34425000      -0.33493085       1.20227001       0.16256594
Cr      -0.39419000       2.84135000       2.14710000       0.12166589       0.20671895      -0.32181488
Cr       1.46817000      -0.01479000       1.15886000       0.20650542       0.61557821      -1.20623285
Cr       3.17186000      -1.37808000       3.28935000      -1.38986130      -0.91646374      -0.51152672
Cr       4.35525000      -0.01768000       1.09736000       0.48853016       1.42505423      -1.10823375
Cr       2.73115000       1.44957000       3.23927000      -1.03630498       2.01016288       0.81793222
O        0.06041000       1.39964000       0.86584000      -0.00564399      -0.04919152       0.46903589
O       -1.87116000       3.01297000       3.38788000      -0.42980439       1.01127240       1.03543244
O       -1.54357000       0.30367000       3.12817000       0.30640551      -1.08036602      -0.77191994
O        2.91189000       1.40050000       1.25255000       0.50619807      -1.20287721       0.86130791
O        2.23783000       4.42760000       1.28586000      -0.29907746      -0.39943935       0.15873384
O        1.46094000      -0.04666000       3.14120000       1.23527320      -0.80559552      -0.40444933
O       -0.68765000       4.52106000       0.90632000      -0.30041683      -1.71570230       0.07402623
O        1.15066000       2.81905000       3.39231000       0.93146154      -0.30142100       0.74514300
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.17149523 magmom=19.9992182 free_energy=-109.17152548 stress="-0.045940953634217456 -0.03399333690364632 -0.008993715213997461 -0.03399333690364632 -0.058300548040302554 -0.01336691159511894 -0.008993715213997461 -0.01336691159511894 -0.06663916442413738" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11375000       0.05865000       4.35711000       1.40417483      -1.05972194       0.10177389
Cr      -0.30069000       2.80531000       2.15926000      -0.40992279       1.23810260       0.43132762
Cr       1.45147000       0.03210000       1.09638000      -0.35948311      -2.08496757      -0.17439215
Cr       3.12363000      -1.41986000       3.31728000      -0.40470964      -0.22268922      -1.41238267
Cr       4.39984000       0.01400000       1.05838000      -1.94830034      -1.70124754       0.85089764
Cr       2.71019000       1.46236000       3.26156000       0.27703734      -0.72972872       0.17935142
O       -0.10680000       1.33730000       0.96604000       1.96153716       0.33935455      -1.71897240
O       -1.77350000       2.93870000       3.43003000      -1.77703158       1.25604489       0.68840161
O       -1.47297000       0.20375000       3.03296000      -1.64328195      -0.12656059       0.01789512
O        2.74731000       1.32844000       1.24630000       2.23484682       1.77076635       0.15172241
O        2.29246000       4.38638000       1.24018000      -1.08285331       0.82192225       1.52065085
O        1.46166000      -0.07693000       3.05963000       0.87886855      -0.96497142       0.65275116
O       -0.62554000       4.35557000       0.98595000      -0.78531134       0.44251490      -1.18746589
O        1.09349000       2.60382000       3.48422000       1.65442938       1.02118146      -0.10155861
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.82375723 magmom=20.0010754 free_energy=-108.82375723 stress="-0.041249569674160116 0.017373040836222896 -0.007746753746664084 0.017373040836222896 -0.026855424552703597 -0.018932965221308516 -0.007746753746664084 -0.018932965221308516 -0.103205830139648" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48498000       3.18910000       0.00820000       1.54321021      -2.69482051      -1.50184188
Cr      -0.19870000       2.82563000       2.21018000      -1.11213730       0.05725210       0.17003414
Cr       1.43395000      -0.00162000       1.01898000       0.50681975       0.31432608       2.79861933
Cr       3.02766000      -1.49217000       3.26682000       1.09103057       0.03732340       0.93504099
Cr       4.35006000      -0.01869000       1.05889000      -0.21262758       0.21210372       1.64143775
Cr       2.70289000       1.43389000       3.29798000       1.83707800      -2.60803887      -1.41916937
O       -0.02112000       1.35493000       0.88004000      -0.13255117      -0.69168001       0.51118622
O       -1.92724000       3.05042000       3.52350000       0.60097339      -0.81562604      -1.83537918
O       -1.57891000      -0.02422000       3.00351000       0.38666226       1.91335404       0.80132458
O        2.87751000       1.52472000       1.23708000      -0.22347315      -1.32371069       0.26330913
O        2.16904000       4.40562000       1.38098000      -0.61676327       0.84176704      -1.35258740
O        1.58077000      -0.26522000       3.10648000      -1.74881808       1.44224364      -0.22701492
O       -0.68123000       4.12944000       0.90890000      -0.55201621       2.50634350      -0.59268275
O        1.24360000       2.57619000       3.50462000      -1.36738744       0.80916260      -0.19227662
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.58159626 magmom=19.9972107 free_energy=-108.58159626 stress="-0.06399351175078638 0.037429631728152606 -0.00022417908571194652 0.037429631728152606 -0.04498562468350806 -0.021598692872400703 -0.00022417908571194652 -0.021598692872400703 -0.04875239893401895" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08658000       0.41797000       4.31161000       0.02753784      -2.13472158      -0.21297463
Cr      -0.16972000       2.86071000       2.25063000      -2.93402509       0.69465185      -2.44702641
Cr       1.42437000      -0.01207000       1.05716000      -1.84800965       1.83545622      -0.55747092
Cr       2.98037000      -1.55018000       3.24961000       1.51672298       1.08860931       1.20179165
Cr       4.26970000      -0.04990000       1.15526000       1.91226110       1.56288055      -0.72017048
Cr       2.78074000       1.27548000       3.25368000      -1.21307375       2.84202248      -0.23973717
O        0.06156000       1.31989000       0.88812000      -1.48330377      -0.07397535       0.53366049
O       -1.98733000       3.00168000       3.35334000       0.99106212      -0.59404362       0.73746941
O       -1.62088000       0.03104000       3.15745000       1.03412389      -0.24502424      -0.57704705
O        2.97974000       1.57034000       1.24867000      -0.76549340      -2.21279601       0.10475560
O        2.00236000       4.47935000       1.27572000       1.37058461      -0.96089499       0.84535508
O        1.44501000      -0.21485000       3.15123000       0.99310136      -0.42820977      -1.86280388
O       -0.79363000       4.24352000       0.82314000       0.05043382       0.44407374       1.39315081
O        1.19995000       2.68031000       3.45673000       0.34807794      -1.81802859       1.80104750
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.61993319 magmom=20.001808 free_energy=-108.61993371 stress="-0.06422106723079204 0.020767600168442053 0.022893355547583337 0.020767600168442053 -0.06401416669579704 -0.016984922590127464 0.022893355547583337 -0.016984922590127464 -0.058949155382657305" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.22796000       0.38960000       4.25604000      -0.50177706      -0.74105397       0.66698320
Cr      -0.28364000       2.92794000       2.17796000       0.49454547       0.82591013      -0.00376111
Cr       1.33944000       0.05695000       1.07349000       1.20322883      -1.53820320      -1.97054837
Cr       3.02153000      -1.57185000       3.30768000       0.41168277      -0.02897042      -0.49633828
Cr       4.28714000      -0.00846000       1.22145000       0.39164987      -1.28158192      -0.97139752
Cr       2.80906000       1.26009000       3.19898000      -1.18221593       2.32062804       1.58773936
O       -0.12068000       1.30464000       1.03248000       0.34971290       0.72465159      -1.52335176
O       -1.86172000       2.83067000       3.27811000      -1.66972891       1.43438507       1.82413039
O       -1.46878000       0.09851000       3.24638000      -1.07306999      -1.33354338      -0.75642494
O        2.89226000       1.26354000       1.25743000      -0.91969242       1.47473497      -0.36941949
O        2.06588000       4.41492000       1.19786000      -0.27793083       0.34012873       2.22824713
O        1.42991000      -0.14325000       2.92723000       1.67708924      -1.36281478       1.32868091
O       -0.83790000       4.40941000       0.99178000       0.51860441      -1.06433589      -0.88545769
O        1.09210000       2.56798000       3.56076000       0.57790165       0.23006502      -0.65908182
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.88383297 magmom=20.0036495 free_energy=-108.88383297 stress="-0.04772590697386365 -0.015774782962055818 0.015534355455500604 -0.015774782962055818 -0.06106315368723174 0.0010826752728009849 0.015534355455500604 0.0010826752728009849 -0.06768577258720164" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.29255000       0.31783000       4.24143000      -0.63308697      -0.33827035       1.18654775
Cr      -0.38474000       3.00680000       2.12838000       1.43927475      -1.61658622       2.38663411
Cr       1.31722000       0.04611000       1.01040000       1.51921748      -1.37694234       2.18294520
Cr       3.07943000      -1.58216000       3.33413000      -0.72956415       0.83758653      -0.85087935
Cr       4.31383000      -0.02466000       1.22127000      -1.34946861      -0.67650468      -0.79954040
Cr       2.76583000       1.37336000       3.22216000      -0.69560530      -1.32166995       0.19817433
O       -0.22001000       1.42134000       0.96339000       1.17794816      -0.88407585      -0.62241744
O       -1.92324000       2.90775000       3.45519000      -0.32458661       0.77833908      -0.48116657
O       -1.43994000      -0.03976000       3.20649000      -1.07937191       0.81261833      -0.30172285
O        2.74138000       1.22116000       1.21975000       1.64135182       1.99458849       0.20631050
O        2.18660000       4.32646000       1.37967000      -0.21291042      -0.16164070      -1.04943448
O        1.64056000      -0.24982000       2.98517000      -0.71958031       0.24361892       0.72743566
O       -0.78043000       4.38667000       1.02343000      -0.79917429       1.35972918      -2.70575421
O        1.04255000       2.50288000       3.51190000       0.76555635       0.34920956      -0.07713224
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.67593213 magmom=20.0027137 free_energy=-108.67593214 stress="-0.0660565575892343 0.025556562072135813 0.024265873178568355 0.025556562072135813 -0.026545421052744902 -0.016033919585702647 0.024265873178568355 -0.016033919585702647 -0.0833857985540267" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.28616000       0.21611000       4.29455000      -2.03106143      -0.69198848       0.92808172
Cr      -0.41369000       3.00780000       2.18073000       0.21183499      -0.62932808      -0.62039988
Cr       1.40504000      -0.02337000       1.05435000       0.61231137       0.95910224       1.14427329
Cr       3.08884000      -1.54064000       3.30920000      -0.88780542       0.40104696      -0.06916526
Cr       4.26879000      -0.06947000       1.16844000       0.75261478       1.77686484      -1.49651661
Cr       2.69382000       1.42279000       3.24558000       0.95776943      -0.54837379      -1.45318463
O       -0.11263000       1.42918000       0.86264000       0.12037575      -1.10803513       1.61199885
O       -1.98996000       3.07754000       3.49847000       1.58563145      -1.60126159      -0.72236789
O       -1.54540000      -0.00358000       3.11677000       0.29214745       1.33264118       0.01671405
O        2.83899000       1.49234000       1.22049000      -0.00791559      -2.04108029       0.50172036
O        2.28891000       4.21422000       1.33396000      -2.02363777       2.01256772       0.46370585
O        1.67568000      -0.27501000       3.23823000       0.12271404       0.10594026      -3.52989736
O       -0.78573000       4.41142000       0.77104000       0.25482554      -0.42506956       2.30107307
O        1.05688000       2.53375000       3.39437000       0.04019542       0.45697372       0.92396444
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.34667271 magmom=20.0038983 free_energy=-109.34667271 stress="-0.046870299900209356 0.03262882402059827 0.013606074241125265 0.03262882402059827 -0.03791856085733242 0.0066768482707346725 0.013606074241125265 0.0066768482707346725 -0.06553303543249406" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71077000       2.93784000       0.05006000      -1.21761320       0.66900727      -1.38272736
Cr      -0.41384000       2.94637000       2.20339000       0.96540777      -0.83641727      -1.74562690
Cr       1.52311000      -0.04605000       1.16341000      -3.13093876       1.06269135      -3.44062485
Cr       3.07312000      -1.46589000       3.29111000       1.27627930       0.01874874       0.29371518
Cr       4.27259000      -0.02005000       1.03839000       2.10247969       0.40923890       0.83263817
Cr       2.67204000       1.43987000       3.20814000       1.19042927       0.72074505       1.15742126
O        0.00540000       1.27031000       1.00352000      -0.14513596       0.50700279      -1.01917774
O       -1.84980000       3.01212000       3.37345000      -2.30791032       0.53492996       2.07602469
O       -1.58842000       0.24042000       3.04771000       0.35812926      -1.36710918       0.57363013
O        2.94928000       1.46896000       1.27341000      -0.61131129      -1.33818096      -0.30556142
O        2.11741000       4.38633000       1.24456000       1.17807209      -0.93476419       0.63031753
O        1.57728000      -0.20393000       3.01974000      -0.45491434      -0.04530683       1.87791568
O       -0.74230000       4.35064000       0.88239000      -0.41971815       0.67737466      -0.47343578
O        1.07344000       2.69516000       3.39663000       1.21674463      -0.07796029       0.92549142
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.73369837 magmom=20.0005332 free_energy=-109.73369837 stress="-0.04901283447188846 0.005661534778525711 0.0009431948640253184 0.005661534778525711 -0.06478192698765911 0.0016424050044408188 0.0009431948640253184 0.0016424050044408188 -0.03956553765486078" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53201000       2.81632000       0.09079000      -0.72354814       0.83146305      -1.01424255
Cr      -0.38350000       2.84209000       2.15942000      -0.02894307      -0.20092785       0.80884871
Cr       1.46872000      -0.01981000       1.10492000      -0.61424518      -1.24614711       0.05914814
Cr       3.11941000      -1.38800000       3.28709000      -0.10423113       0.41511513      -0.40466192
Cr       4.38068000       0.04161000       0.98110000      -0.36482732      -1.75433906       2.78940280
Cr       2.71875000       1.47439000       3.21974000      -0.51828986      -0.66920169       1.10221063
O        0.04891000       1.27919000       1.01428000      -0.14977386       1.48692757      -1.25961063
O       -1.92609000       3.00270000       3.45777000       0.32441475       0.91748588      -0.21979545
O       -1.55243000       0.23257000       3.10645000       0.11517366      -0.35816004      -0.11338198
O        2.91410000       1.29030000       1.22595000       0.00912055       0.93003400       0.42789799
O        2.17644000       4.40411000       1.24689000       0.49830983      -0.00005236       0.62642786
O        1.42002000      -0.10771000       3.09135000       1.70894412      -0.28476537      -0.01353225
O       -0.73105000       4.35525000       1.01076000      -0.19701760       0.92930494      -1.85482246
O        1.19798000       2.84643000       3.45008000       0.04491324      -0.99673708      -0.93388890
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.15305338 magmom=20.0019147 free_energy=-109.15305339 stress="-0.057809944688714816 -0.015523656884707927 -0.01554671516649808 -0.015523656884707927 -0.0685877716872 -0.0030653160121308894 -0.01554671516649808 -0.0030653160121308894 -0.05457907347714058" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.36100000       2.76171000       0.07182000       1.73652987      -0.25169018       0.69217328
Cr      -0.35784000       2.76478000       2.16044000      -0.78416465       1.69554672       1.50919659
Cr       1.38058000      -0.02852000       1.04046000       2.83029156       0.85745405       1.98388609
Cr       3.14860000      -1.31911000       3.26253000      -1.70839111      -1.60831516      -0.50392162
Cr       4.44985000       0.01896000       1.06191000      -2.02260710       0.27835129      -0.21167773
Cr       2.74054000       1.47715000       3.28235000      -0.69869578      -0.21780715      -1.10077941
O        0.02516000       1.50069000       0.85462000       0.52129721      -1.76989072      -0.21937967
O       -1.92124000       3.09820000       3.45894000       0.93359144      -0.18604521      -0.56460448
O       -1.48715000       0.15840000       3.15286000      -0.95121742       2.11597009      -2.23914330
O        2.85695000       1.29962000       1.20730000       0.96832967      -0.35235601       1.43559322
O        2.38018000       4.34083000       1.28706000      -1.26194833       1.27298401      -0.07374176
O        1.50194000      -0.05754000       3.26929000       0.64492402      -0.59420745      -1.71930325
O       -0.70969000       4.43549000       0.89686000       0.19533174      -0.93464234       0.32873619
O        1.27006000       2.82494000       3.35813000      -0.40327112      -0.30535195       0.68296586
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.25217922 magmom=20.0025478 free_energy=-109.25217922 stress="-0.05359619397462126 0.014288628627328926 -0.0027114372994850285 0.014288628627328926 -0.028475045670819966 -0.0036885999853431394 -0.0027114372994850285 -0.0036885999853431394 -0.08546871155292794" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.29018000       2.70825000       0.07422000       0.67382594       0.12906315      -0.43320767
Cr      -0.35531000       2.77817000       2.22818000       0.78015120      -0.08103369      -2.07478281
Cr       1.45801000      -0.00126000       1.08649000       1.03991156       0.44548591      -0.16702751
Cr       3.09124000      -1.34712000       3.20025000       0.91678879      -1.39458289       0.16223043
Cr       4.40825000      -0.00317000       1.12929000       0.82814205       0.98437691      -2.94038547
Cr       2.71463000       1.47078000       3.28717000       0.63455029       0.94896016      -0.32758274
O        0.03419000       1.50150000       0.76605000       0.59506594      -1.14885098       1.02047266
O       -1.74185000       3.15143000       3.34402000      -2.72142081       0.62208092       2.66936324
O       -1.49514000       0.36458000       2.96559000       0.57044252      -1.15018423       2.23090153
O        2.91436000       1.37089000       1.36275000      -0.28529793       0.04349627      -1.33477616
O        2.33553000       4.43116000       1.25081000      -1.29433607      -0.35375583      -0.50090681
O        1.64915000      -0.11853000       3.16483000      -1.91806816      -0.02363337      -0.52879438
O       -0.62725000       4.38193000       0.86755000      -0.39428690       0.48589424       0.95240983
O        1.22331000       2.74294000       3.35371000       0.57453157       0.49268343       1.27208586
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.13518617 magmom=20.0042902 free_energy=-108.13518617 stress="-0.044343854614808276 0.05681460332665966 -0.015660332521561657 0.05681460332665966 -0.030135296086078053 0.02794774182739092 -0.015660332521561657 0.02794774182739092 -0.0946434424903075" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.26194000       2.65683000       0.05722000       0.06231438       1.62347517      -1.59571683
Cr      -0.33039000       2.82160000       2.22936000      -1.04102971      -0.44614411      -0.41402982
Cr       1.63348000       0.07722000       1.14238000      -4.62120289      -0.14473617      -2.74114588
Cr       3.03847000      -1.48062000       3.12108000       0.84781950       1.35118247       1.41545985
Cr       4.38409000       0.02195000       1.06094000       1.68506812      -0.07118895       1.75471067
Cr       2.70573000       1.50024000       3.27325000       1.25678183      -0.61599772       2.01467666
O        0.11041000       1.30981000       0.93868000      -0.92356967       1.43842941      -0.40057665
O       -1.82185000       3.25800000       3.52806000       0.10589048      -0.55815573      -1.24021080
O       -1.41691000       0.43358000       3.07933000      -2.02720942      -0.83597060      -1.52757740
O        2.93678000       1.51683000       1.31631000       1.51386857      -1.54346682       1.32090846
O        2.08683000       4.44909000       1.09051000       3.16749495      -1.71980944       1.09204954
O        1.53130000      -0.20120000       2.94609000       0.61479786       0.63339272       3.31148461
O       -0.58978000       4.36124000       1.03518000      -1.03132385       1.00594209      -1.68483108
O        1.17504000       2.72597000       3.53561000       0.39029985      -0.11695230      -1.30520133
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.3463122 magmom=20.0042387 free_energy=-108.34631815 stress="-0.04701510929699368 0.04587535787614958 -0.02024364759099099 0.04587535787614958 -0.04122193916237678 0.013324234433866981 -0.02024364759099099 0.013324234433866981 -0.04943869855025662" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.28494000      -0.19321000       4.31373000       1.55089313      -0.81211291       0.07407868
Cr      -0.34692000       2.87548000       2.17910000      -1.13602703       1.12297654       1.01882214
Cr       1.60893000       0.13510000       1.09823000      -1.24298190      -1.64865910       1.74823100
Cr       3.01077000      -1.57580000       3.09421000      -0.12360024       3.62711575       0.55087616
Cr       4.45948000       0.04844000       1.04931000      -1.37493745      -0.52274660       1.89399004
Cr       2.76110000       1.49643000       3.38205000      -0.74644007      -1.04700779      -0.58885389
O        0.05577000       1.35450000       1.18644000       1.00566267      -0.38923487      -2.23145717
O       -1.89159000       3.26760000       3.55352000       0.95989832      -0.97642843      -1.09889777
O       -1.62444000       0.26595000       3.09560000      -0.37919621      -1.25931357      -0.93924282
O        3.09971000       1.48353000       1.29223000      -1.20858935      -0.29532475       0.21874744
O        2.26321000       4.22963000       1.08761000      -0.35619703       2.50658672       1.52737463
O        1.46552000      -0.14919000       3.17099000       1.52257701      -0.03137771      -1.02689844
O       -0.70443000       4.46210000       1.01451000       1.11520407      -0.02958182      -0.84623780
O        1.15475000       2.70276000       3.47774000       0.41373407      -0.24489146      -0.30053219
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.41762957 magmom=19.9997014 free_energy=-107.41763595 stress="-0.08307188713909862 -0.016733671994672513 0.008578780879436984 -0.016733671994672513 -0.09372492468715471 0.00036701650265398756 0.008578780879436984 0.00036701650265398756 -0.05852725821400278" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.19440000      -0.15242000       4.21473000       0.35679167      -0.68023298       1.26197040
Cr      -0.40970000       2.98367000       2.16074000       1.13118437      -0.27494456      -0.17885416
Cr       1.50529000       0.11860000       1.11577000       1.54312909      -0.23694865       0.34003847
Cr       2.97029000      -1.51399000       3.10548000      -0.41530027      -1.92470580       1.75900894
Cr       4.47242000       0.05322000       1.13941000      -1.94760420      -0.45629540      -1.24667160
Cr       2.78813000       1.42879000       3.45616000      -0.62814449       0.11167876      -3.76144658
O        0.06899000       1.43970000       1.16389000       0.29448759      -0.95154509      -1.98007543
O       -1.80694000       3.09905000       3.36524000      -2.13100729       0.05806242       2.42826934
O       -1.80470000      -0.07366000       3.01842000       4.05774072       3.67058653       1.29961739
O        3.03929000       1.36994000       1.28040000      -0.97191619       0.49136585       0.04183045
O        2.44462000       4.26648000       1.23729000      -1.60149065       1.03786054      -1.30060735
O        1.58510000      -0.09308000       3.34212000      -0.54679239      -0.71978744      -1.90961471
O       -0.64591000       4.50623000       0.93622000       0.50471770       0.05126244       1.33920403
O        1.18627000       2.67502000       3.28921000       0.35420434      -0.17635661       1.90733082
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.65522394 magmom=20.0016657 free_energy=-108.65522395 stress="-0.09483443219520483 -0.04253077528117679 -0.020610313807669815 -0.04253077528117679 -0.08726606841896567 0.024389835841249596 -0.020610313807669815 0.024389835841249596 -0.0384334080840933" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06697000      -0.13017000       4.21676000       2.10887034      -0.10337907       3.49416521
Cr      -0.40985000       3.04428000       2.16804000       0.63687804      -2.67741107       1.14071185
Cr       1.49453000       0.08869000       1.15406000      -0.43223599      -1.07524918      -1.31756584
Cr       2.95356000      -1.50976000       3.18427000       2.96083000      -0.24508632       0.82699019
Cr       4.38349000       0.04489000       1.15721000       0.85042572      -0.11097789      -1.30267951
Cr       2.77473000       1.37782000       3.34923000       0.14073862       0.86278681       0.01561398
O        0.04797000       1.41226000       0.88545000      -0.87770622       0.48529416       0.19861491
O       -1.93752000       2.94639000       3.44165000       0.22107072       1.15977185       0.18369214
O       -1.44337000       0.04143000       3.14103000      -3.86481037       1.16996502      -2.88908330
O        2.82669000       1.35972000       1.25142000       2.28110766       0.93600119       1.06511730
O        2.32005000       4.42331000       1.16974000      -1.20954473      -0.26721295       0.75126083
O        1.57439000      -0.14870000       3.19534000       0.04052154      -0.19026078      -1.05058848
O       -0.52361000       4.48608000       1.03983000      -2.28869557       0.61679154      -1.92355895
O        1.21038000       2.67612000       3.38713000      -0.56744975      -0.56103330       0.80730967
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.64080807 magmom=20.0002448 free_energy=-109.64080807 stress="-0.03420146266560726 0.020308473234213854 6.919712131652645e-05 0.020308473234213854 -0.027716813585649848 0.010970334894303808 6.919712131652645e-05 0.010970334894303808 -0.09303992032761536" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08195000      -0.09529000       4.34111000      -1.37703334       1.82757092      -0.63466499
Cr      -0.36946000       2.98418000       2.21148000       0.08159011      -0.42866504      -0.11623562
Cr       1.47043000       0.03345000       1.11371000      -1.46682395       0.38063709      -1.30238895
Cr       3.05224000      -1.52953000       3.26870000       0.15954837       1.24999755      -1.70639708
Cr       4.34328000       0.02726000       1.10261000      -0.00705229      -0.07207531      -0.17928641
Cr       2.76106000       1.38803000       3.26424000      -0.87889014       0.67797897       1.20836792
O       -0.11345000       1.46312000       0.78720000       0.85287097      -0.12648164       1.71234156
O       -1.97040000       2.98293000       3.49288000       0.76890411       0.84242430      -0.50266991
O       -1.48324000       0.28085000       3.02483000       0.22239404      -1.55373760       0.97049196
O        2.91614000       1.45642000       1.31779000      -0.15043872      -1.16041860      -0.04729596
O        2.10528000       4.45907000       1.17893000       1.15524384      -1.25815710       0.64456100
O        1.53461000      -0.21134000       3.00566000       0.50759530       0.00449747       1.34382484
O       -0.72645000       4.45755000       0.94061000      -0.10840406      -0.38426538      -0.12918016
O        1.13000000       2.65790000       3.52881000       0.24049576       0.00069436      -1.26146820
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.81147352 magmom=20.0008645 free_energy=-109.81147357 stress="-0.02467026672768686 0.0385508467344626 0.005586390784763098 0.0385508467344626 -0.01052895439928267 -0.0008557407917457986 0.005586390784763098 -0.0008557407917457986 -0.06172920134773696" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.67684000       2.89781000       0.05966000      -0.64142777       0.35631184      -0.98471753
Cr      -0.33866000       2.91378000       2.23489000      -0.57147799       0.79471768      -1.33904368
Cr       1.38676000      -0.00773000       1.02820000       0.51228191       0.08757941       1.63407839
Cr       3.13777000      -1.47466000       3.26429000      -1.13161981       1.37233936      -0.11911638
Cr       4.31636000       0.00810000       1.05539000      -0.40889335      -0.08111377       0.81795165
Cr       2.71630000       1.43061000       3.25772000      -0.06988941      -0.43226274      -0.19381082
O       -0.11697000       1.46390000       0.96430000       1.15264158      -1.65383883      -1.35877864
O       -1.85013000       3.11725000       3.43385000      -1.03653560      -0.74411170       0.69580733
O       -1.51988000       0.19389000       3.07601000      -0.07966572      -0.53004737       0.28392855
O        2.94098000       1.40831000       1.29327000      -0.96884062      -0.81627687      -0.13467015
O        2.13248000       4.30466000       1.27388000      -0.09488918       1.17704286       0.23151214
O        1.55002000      -0.21583000       3.08104000       0.35985217       0.08157084      -0.62175966
O       -0.87477000       4.34372000       0.86999000       1.14695114       0.39932234       0.20295624
O        1.09343000       2.68271000       3.42567000       1.83151264      -0.01123303       0.88566253
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.08126685 magmom=20.0017234 free_energy=-109.08126685 stress="-0.06375370453164961 -0.0004305865040369462 0.012891634013287932 -0.0004305865040369462 -0.07822075049217946 -0.013845948955941725 0.012891634013287932 -0.013845948955941725 -0.03979968788220131" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.68685000       3.02840000       0.07986000       0.29022973      -1.40713403      -0.81388481
Cr      -0.33041000       2.86557000       2.19130000       0.35628507      -0.32780533      -0.04866500
Cr       1.33202000      -0.04844000       1.02825000       2.39171728      -1.22127149       1.31990955
Cr       3.15404000      -1.35303000       3.25086000      -1.45872936      -3.37388618       2.00412558
Cr       4.27370000      -0.01620000       1.05681000       1.20492719      -0.03306967       0.28028097
Cr       2.66737000       1.44775000       3.24427000       1.44257638      -0.49046295      -0.59424441
O        0.03730000       1.25803000       1.00952000      -1.95409767       1.39599291      -0.75914643
O       -1.85464000       3.08596000       3.42001000      -0.96361461      -0.82085170       0.10331498
O       -1.49799000       0.02307000       3.22184000       0.60091315       3.16067160      -1.41919296
O        2.76823000       1.26617000       1.17163000       0.90438397       0.56439091       0.91286959
O        2.21533000       4.30209000       1.35574000      -1.15686277       1.86537493      -0.31918007
O        1.56671000      -0.16674000       3.15142000      -0.15907540      -0.23921235      -1.20503593
O       -0.77757000       4.26742000       0.88875000      -0.54187280       1.02046041      -0.55389639
O        1.26105000       2.75517000       3.35770000      -0.95678017      -0.09319707       1.09274532
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.70425723 magmom=19.9992087 free_energy=-108.70425723 stress="-0.08907774608440974 -0.04248746359562408 0.009652190931533034 -0.04248746359562408 -0.10175715986205959 -0.011034685377678431 0.009652190931533034 -0.011034685377678431 -0.03459438317251471" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.70045000       3.11062000       0.05867000      -0.40821939      -0.55727768       0.39928271
Cr      -0.31634000       2.77443000       2.11735000      -0.56377430       0.34355763       0.78348865
Cr       1.39805000      -0.14783000       1.12450000      -1.38390386       2.65561462      -1.55079454
Cr       3.10336000      -1.36237000       3.35769000       0.97024010      -0.50715271      -0.71824081
Cr       4.29857000      -0.03380000       1.08095000       1.15402026       1.43438044       0.25343414
Cr       2.68372000       1.43657000       3.18101000      -0.03372195      -0.36951478       0.24742953
O       -0.10000000       1.23731000       0.91024000       1.07847272       0.84722847       0.23204123
O       -2.00932000       2.85796000       3.37696000       1.69840188       2.98612725       0.43162837
O       -1.40319000       0.30069000       3.19141000      -1.68971865      -1.15811775      -1.12990510
O        2.70863000       1.26979000       1.14710000       1.41839250       1.07816214       0.56620929
O        2.15291000       4.56609000       1.32131000       0.92286423      -3.64491181       0.53423160
O        1.50720000      -0.11665000       3.07276000       0.19669304      -0.89912631       0.45060401
O       -0.67607000       4.31298000       0.89624000      -1.86587526      -0.90635220      -0.31617610
O        1.26456000       2.83889000       3.43694000      -1.49387133      -1.30261731      -0.18323299
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.18170311 magmom=19.9983447 free_energy=-107.18339468 stress="-0.030463054950601864 0.019613931411824534 0.0162211131922666 0.019613931411824534 -0.049866302798818124 -0.05996249916069179 0.0162211131922666 -0.05996249916069179 -0.15139400597350172" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.67705000       3.16050000       0.02320000      -0.29035787      -1.79260484      -1.28877189
Cr      -0.34236000       2.66801000       2.08156000      -2.09092870       4.40624921       3.13257447
Cr       1.44526000      -0.16816000       1.16935000      -0.25150951       1.03888160      -2.58079473
Cr       3.07364000      -1.45211000       3.45240000      -0.09870415       0.28726292      -5.36038769
Cr       4.39194000       0.01065000       1.12559000      -2.24305952      -0.94700898      -0.65915802
Cr       2.72337000       1.42648000       3.11183000      -1.29399786       2.07305814       2.00692437
O       -0.19915000       1.44319000       0.87509000       2.58756512      -3.54479232      -0.54146155
O       -1.94308000       3.01649000       3.37866000      -0.47893558       0.45906652       1.29701730
O       -1.47566000       0.48842000       2.98733000       0.96094017      -2.30418326       1.61230926
O        2.90134000       1.53014000       1.21378000      -0.63643308      -1.54550613      -0.57619698
O        2.23289000       4.34992000       1.30840000      -0.78630029       2.04225499       2.73096077
O        1.44186000      -0.16872000       3.07272000       1.65540109      -0.27245911      -0.17961413
O       -0.78288000       4.26752000       0.89080000       0.52629933       0.47500261      -0.32207735
O        0.94086000       2.76983000       3.48397000       2.44002084      -0.37522135       0.72867618
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.26811641 magmom=20.0039984 free_energy=-108.26819135 stress="-0.008820326533627573 0.04745795703973863 0.00209398699022634 0.04745795703973863 0.01977171806700227 -0.017155452334759222 0.00209398699022634 -0.017155452334759222 -0.11219038727468618" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08418000       0.23884000       4.30075000       0.75795171      -0.69334704       0.50814126
Cr      -0.47479000       2.74251000       2.19247000      -0.56741898       0.34263591      -0.67109364
Cr       1.45818000      -0.11099000       1.08182000       0.55824394       0.50177921       0.58703586
Cr       3.04657000      -1.52594000       3.29857000       0.08526454       1.46815218       3.48394392
Cr       4.38554000       0.01548000       1.14415000      -0.42669290      -0.43543132      -0.39066755
Cr       2.71086000       1.50398000       3.14233000      -0.05026254      -0.57702318       1.39654537
O        0.08480000       1.29586000       0.91074000      -0.84803659       0.11219071       0.67805383
O       -1.83908000       3.28275000       3.54089000      -0.02759874      -2.30892656      -0.94506283
O       -1.44353000       0.27887000       3.05589000      -1.34687285       0.14224251       0.44631903
O        3.00978000       1.61892000       1.19125000      -0.04233244      -2.01150210       0.73443964
O        2.30181000       4.24957000       1.53840000      -1.02987973       1.43340931      -4.66544517
O        1.59008000      -0.22062000       3.10013000      -0.26836341       0.82575135      -0.93005455
O       -0.79686000       4.26893000       0.86718000       0.87537344       0.98539263      -0.31348288
O        0.90458000       2.59086000       3.53294000       2.33062454       0.21467639       0.08132771
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.96622935 magmom=20.0025987 free_energy=-108.96622955 stress="-0.07028121034731803 0.04082837119876166 0.02992746491086484 0.04082837119876166 -0.03156520307027563 -0.011041802526844112 0.02992746491086484 -0.011041802526844112 -0.05456130960539854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08689000       0.15341000       4.25954000       0.91625142      -0.83060617       0.36871842
Cr      -0.58451000       2.83697000       2.25958000       3.66441870      -1.43693667      -3.16054467
Cr       1.50565000      -0.05352000       1.04199000       0.53672221       0.71068376       1.43748891
Cr       3.03662000      -1.51403000       3.26443000       0.64221594       1.19444810       0.80253502
Cr       4.36281000      -0.00867000       1.14042000       1.34970865      -0.25301230       0.31269780
Cr       2.70223000       1.53251000       3.23452000       1.64169571      -2.63182637      -0.01879552
O        0.10988000       1.23660000       1.03258000      -1.70187311       1.44522499      -0.67732160
O       -1.81629000       3.14168000       3.50699000      -3.24252075       0.01586652       0.92029334
O       -1.52516000       0.09912000       3.21522000      -1.29559827       0.53797084      -1.61306340
O        3.04435000       1.45825000       1.22299000      -0.59706146      -0.21043800       0.39417051
O        2.21602000       4.39677000       1.21028000      -0.12505531      -0.22643556       1.26895471
O        1.63945000      -0.12706000       3.03058000      -0.55408680      -0.57341290       0.04444477
O       -0.65845000       4.35628000       0.88163000      -0.38549551       0.00677206       0.42436136
O        1.12954000       2.53452000       3.50592000      -0.84932142       2.25170170      -0.50393965
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.27337379 magmom=20.0026988 free_energy=-109.2733738 stress="-0.0885460045529582 -0.029908609467833275 0.021974899485438806 -0.029908609467833275 -0.09547612091207468 -0.009327306469206969 0.021974899485438806 -0.009327306469206969 -0.027230390335002946" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11385000       0.05736000       4.25495000      -1.13810121      -0.43217506       0.67907692
Cr      -0.52086000       2.84944000       2.19629000       0.37697480       0.40471326       0.80769316
Cr       1.54438000       0.01926000       1.08084000      -1.92944459       0.33475727      -0.44667254
Cr       3.04679000      -1.45114000       3.30226000      -0.73151250      -0.00402040      -0.16745481
Cr       4.40282000      -0.03431000       1.14285000      -0.46082274      -0.00999005      -0.69637433
Cr       2.74132000       1.43402000       3.29861000      -1.18774710      -0.39040918      -0.21295395
O       -0.12871000       1.40942000       1.04116000       1.72803599      -0.94283563      -1.70654193
O       -2.06805000       2.99761000       3.45989000       1.92041123       1.49036448       0.23050728
O       -1.64114000       0.06928000       3.15377000       1.64781345       0.79864772      -0.23074953
O        2.95212000       1.33722000       1.26773000       0.06018938       0.91533243      -0.16282260
O        2.17968000       4.43709000       1.02795000       0.44744795      -0.29631912       1.94733820
O        1.55517000      -0.11455000       3.02679000       0.75663979      -0.80904031      -0.08869418
O       -0.60614000       4.40313000       0.98723000      -1.04707561       0.17190405      -0.73585199
O        1.18597000       2.79100000       3.39688000      -0.44280883      -1.23092947       0.78350030
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.6015918 magmom=20.0014933 free_energy=-109.60159181 stress="-0.054214366339104675 -0.006895997492762816 0.00414573831859025 -0.006895997492762816 -0.04888230146617304 0.00025564757635489774 0.00414573831859025 0.00025564757635489774 -0.05195789003489122" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07388000      -0.03167000       4.29199000      -0.88678814       0.49412709       1.04160286
Cr      -0.42571000       2.86777000       2.16054000      -0.50756042       0.10366368       0.74805611
Cr       1.47823000       0.08484000       1.08960000      -0.61072033      -1.34565475      -0.90627319
Cr       3.03658000      -1.40231000       3.31775000       1.12436173      -1.28034093      -2.23217246
Cr       4.41002000      -0.04660000       1.11017000      -1.56367553       1.04241292      -0.76756312
Cr       2.73460000       1.34740000       3.33316000       0.08810941       2.66838671      -0.61866243
O       -0.09827000       1.45549000       0.85757000       0.97798509      -0.70062074       0.93041546
O       -1.98426000       3.05390000       3.43442000       0.33540608      -0.15745614       0.45833811
O       -1.47397000       0.14498000       3.08179000      -0.67352723       0.18455179       0.00914509
O        2.85219000       1.39721000       1.25453000       1.11388066      -0.27437725       0.87772756
O        2.24695000       4.38513000       1.17870000      -0.70780037       0.48190167       0.90436517
O        1.54843000      -0.19760000       3.07085000       0.17788813       0.52264246      -0.42980444
O       -0.70665000       4.42312000       0.99873000       0.35401022      -0.03740364      -1.11033902
O        1.11173000       2.84741000       3.39574000       0.77843069      -1.70183287       1.09516431
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.14174693 magmom=20.0036918 free_energy=-109.14174693 stress="-0.008598299064632064 0.03845914816135108 -0.010631279229062136 0.03845914816135108 -0.008215619931732311 0.008866052609672433 -0.010631279229062136 0.008866052609672433 -0.12278319533945854" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.51043000       2.78315000       0.04609000       0.17355894       0.94693934      -0.17298695
Cr      -0.33055000       2.90601000       2.16817000       0.41439666      -0.39385975      -0.62908873
Cr       1.36905000       0.07837000       1.04708000       2.58612105      -1.34883602       1.40395306
Cr       3.08588000      -1.42694000       3.22339000       0.93245059      -0.31506994       2.48176362
Cr       4.32180000      -0.00548000       1.03817000       0.41151979       0.54979836       1.56452976
Cr       2.72448000       1.40430000       3.32903000       0.79096240       0.44537932      -1.42918814
O        0.08560000       1.41581000       0.83221000      -1.52106230       0.66974458       0.22594979
O       -1.73563000       3.09713000       3.44473000      -2.29914239      -0.06012054       0.64355696
O       -1.33072000       0.24550000       3.03389000      -2.37768542      -0.13063309      -0.34543248
O        2.90260000       1.44579000       1.32847000       0.17402462      -1.62775643       0.55745934
O        2.24990000       4.36313000       1.43605000      -0.84512155       0.21265936      -3.76186922
O        1.53569000      -0.17413000       3.12225000       0.17220112       0.03085532      -0.27676887
O       -0.74877000       4.38804000       0.86645000       0.37446828       0.30773686       0.95196804
O        1.09287000       2.60994000       3.51069000       1.01330821       0.71316263      -1.21384618
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.81408832 magmom=20.0033176 free_energy=-108.81408942 stress="-0.034961572646111105 0.04941580765949972 -0.010665498471365536 0.04941580765949972 -0.03990434322907329 0.001129658020534761 -0.010665498471365536 0.001129658020534761 -0.05813007981198474" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.38161000       2.75117000       0.17166000       0.35491582      -0.34829058      -2.65956877
Cr      -0.19902000       2.93481000       2.16631000      -0.86465334       0.58658738       0.02337208
Cr       1.37516000      -0.01198000       1.07995000       0.77397202       0.33441457       1.93130817
Cr       3.20108000      -1.48147000       3.18749000      -1.57301776       1.76467213       0.81589069
Cr       4.23542000       0.06825000       1.02214000       3.21661016      -1.68633971       0.10583310
Cr       2.75951000       1.50097000       3.25500000       0.37006941      -2.55706490       1.55597527
O        0.04059000       1.47925000       0.93717000      -0.34516334      -1.59431585      -1.64101618
O       -1.76134000       3.10320000       3.47942000      -0.61512453       0.04139260      -0.45437759
O       -1.52228000       0.27162000       3.03498000       0.24285540      -1.40424824       0.39280613
O        2.92361000       1.32474000       1.38025000      -1.61533197       1.29864550      -1.52166326
O        2.11892000       4.36162000       1.15543000       0.30943478       1.25481997       1.72901554
O        1.49792000      -0.10609000       3.17461000       0.77269870      -1.06805189      -0.74818750
O       -0.67321000       4.36210000       0.89311000      -1.04001764       0.92196135      -0.11121156
O        1.19116000       2.52216000       3.42021000       0.01275228       2.45581766       0.58182389
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.90465288 magmom=20.0024015 free_energy=-107.90465332 stress="-0.10482491525568516 -0.022694025432629755 -0.03514743313498237 -0.022694025432629755 -0.14441219588791046 0.024682635076932965 -0.03514743313498237 0.024682635076932965 -0.025584371259600894" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.26093000       2.73288000       0.15880000       0.28572595       1.40252352      -2.96206177
Cr      -0.10038000       2.98363000       2.14263000      -2.11760885       0.14520653      -0.41337662
Cr       1.42691000      -0.09922000       1.22605000      -2.09659290       2.17877235      -1.65649996
Cr       3.23859000      -1.45068000       3.22416000      -3.13594333      -0.77107372       0.41144638
Cr       4.30075000       0.07607000       1.02732000       0.15481830      -0.91621152      -0.53298836
Cr       2.80027000       1.47053000       3.23540000      -1.89944889      -0.34502291       1.01274024
O       -0.13649000       1.39621000       0.89483000       1.27286396       0.07599003       0.17847925
O       -1.88168000       3.05815000       3.40549000       1.28951902      -0.34530074       0.13549431
O       -1.67517000       0.08609000       3.13500000       2.66190888       2.78757403      -1.44947771
O        2.71913000       1.34516000       1.19882000       2.33980089      -1.52146633       2.64250717
O        2.08453000       4.47364000       0.93797000       1.89931220      -0.45000520       1.88093137
O        1.54722000      -0.17999000       3.14431000       0.16362013       0.05647740       0.34463097
O       -0.72099000       4.43858000       0.98928000      -1.18398688      -0.22676707      -1.15219197
O        1.31558000       2.85850000       3.34117000       0.36601151      -2.07069638       1.56036670
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.57075854 magmom=20.0026525 free_energy=-108.57075857 stress="-0.07207923003041738 -0.017669781878270185 -0.03902236448112825 -0.017669781878270185 -0.07761481197242047 0.016017228136300115 -0.03902236448112825 0.016017228136300115 -0.047405631672540256" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.20024000       2.76951000       0.02313000       2.92923878      -0.99345691       2.15422226
Cr      -0.12390000       3.03748000       2.10203000      -0.96846650      -0.34478505       0.95295619
Cr       1.38514000      -0.08339000       1.27979000       0.93522290       0.92976488      -3.05072157
Cr       3.15868000      -1.40904000       3.28028000       1.37400359      -0.63677551      -0.95449445
Cr       4.38082000       0.02895000       1.01214000      -1.76991960       1.07939267       0.52188095
Cr       2.75260000       1.41234000       3.28161000       0.16297174       0.97450489      -0.42301496
O       -0.07577000       1.37255000       0.93851000       1.66341175       0.52923446      -0.34903596
O       -1.80713000       2.94073000       3.30906000      -0.65749637       1.19497872       1.31684542
O       -1.47566000       0.22307000       3.00992000      -2.02562424      -0.12357938      -1.18052578
O        2.79588000       1.27609000       1.28685000       0.01931974       0.87630581       0.05025818
O        2.30978000       4.47894000       1.06726000      -1.97991250      -1.23723633       1.64569832
O        1.58974000      -0.22746000       3.18154000      -0.65766514       0.20920141       0.47778210
O       -0.85294000       4.43620000       0.92910000       1.87803742      -1.02484325      -0.27828045
O        1.33207000       2.83761000       3.43960000      -0.90312158      -1.43270642      -0.88357024
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.68387779 magmom=20.0004556 free_energy=-108.68388265 stress="-0.014133606317818516 0.0352236384037492 -0.032293633965377114 0.0352236384037492 -0.011657437842698048 0.007221533543675588 -0.032293633965377114 0.007221533543675588 -0.0834237917497891" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.25554000      -0.10332000       4.32908000       1.30814718      -0.81526858       1.02379466
Cr      -0.21998000       3.05178000       2.11990000      -0.23203209      -1.45818042       1.42626205
Cr       1.39354000      -0.01585000       1.17844000       2.45095056      -0.16895057      -0.41317958
Cr       3.13863000      -1.40430000       3.29418000       0.49092540      -1.04641901       0.52186699
Cr       4.36175000       0.00488000       1.00909000      -0.63014294      -0.17584623      -0.12971601
Cr       2.70905000       1.40940000       3.29888000       0.72273312       0.49419680      -1.54308606
O        0.21613000       1.48492000       0.96706000      -1.47652465      -0.39991407      -1.35142493
O       -1.79870000       2.99526000       3.38340000      -1.17839454       0.71963180       1.23023616
O       -1.45678000       0.32804000       2.87303000      -0.53391150      -1.25719735       2.17941374
O        2.87330000       1.35277000       1.33538000      -0.45472654      -0.18153026      -1.22620661
O        2.28928000       4.27384000       1.41669000      -0.92585281       1.20244863      -1.64303628
O        1.51506000      -0.20573000       3.28051000       0.19333457      -0.22344807      -1.21630970
O       -0.67906000       4.33426000       0.85222000      -0.76822987       1.91988138       0.01956768
O        1.12238000       2.54601000       3.40331000       1.03372410       1.39059594       1.12181788
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.01827918 magmom=20.002002 free_energy=-109.01840397 stress="-0.03122354134403807 0.030331351955276267 -0.02018556803921627 0.030331351955276267 -0.017024838457810058 0.012531987734270151 -0.02018556803921627 0.012531987734270151 -0.08417628728888765" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09793000      -0.12128000       4.34449000      -0.16985865       1.30038948      -0.00785148
Cr      -0.32419000       2.98578000       2.19982000      -0.32004170      -0.06223480      -0.58442087
Cr       1.51587000       0.04039000       1.07013000      -1.35758133      -0.95506985       1.54015436
Cr       3.14445000      -1.45206000       3.32388000      -1.70012827       0.86251320      -0.51947162
Cr       4.30659000      -0.01440000       1.01903000       1.07414921      -0.44344280       1.52246914
Cr       2.70620000       1.43722000       3.23993000       0.11283990      -0.10864009       0.66704581
O        0.20819000       1.56849000       0.85460000      -1.21897721      -0.89816869       1.21103270
O       -1.90659000       3.12601000       3.53377000       0.88674410      -1.16909310      -1.98524533
O       -1.53416000       0.17603000       3.11228000      -0.91783203       0.50005452      -1.77528280
O        2.86512000       1.40193000       1.19575000       1.74534372      -1.28132942       1.82601521
O        2.10322000       4.23301000       1.40615000       0.77695578       1.25627185      -1.19891943
O        1.45912000      -0.18307000       3.17534000       1.59013277       0.05499529      -1.08496313
O       -0.58289000       4.44791000       0.86982000      -1.63542942       0.04856762       0.06391215
O        1.06813000       2.55659000       3.46886000       1.13368312       0.89518678       0.32552531
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.45641423 magmom=20.0080407 free_energy=-109.45641423 stress="-0.06326795364133178 0.01836210895731977 0.014292970189869345 0.01836210895731977 -0.056518649413811246 -0.00016676064706685803 0.014292970189869345 -0.00016676064706685803 -0.046912885529729983" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03902000      -0.08344000       4.35681000      -0.49596588       0.38364244      -1.04878190
Cr      -0.41368000       2.91642000       2.24057000       1.29808922       0.56404128      -1.30204498
Cr       1.54790000       0.04068000       1.03610000      -2.41986824      -0.11798795      -0.15750793
Cr       3.07517000      -1.45758000       3.33256000      -0.52936679       0.51742704      -0.86153597
Cr       4.32016000      -0.05724000       1.10002000       1.46625480       0.34496981       0.62499098
Cr       2.71306000       1.45886000       3.22420000       0.16978484      -0.05802642       1.22939670
O       -0.03483000       1.52068000       0.95447000       0.79816767      -1.81915517      -0.67333109
O       -1.87948000       3.05803000       3.38022000      -1.58568018       0.39316745       1.66006624
O       -1.64564000       0.08887000       3.14878000       1.35756507       0.87502558      -0.45458150
O        3.04164000       1.33761000       1.26166000      -1.33000135       0.98071512      -0.01010434
O        2.09496000       4.35131000       1.12263000       1.02082841      -0.01467697       1.27961234
O        1.57557000      -0.13303000       2.98374000      -0.41505954      -0.14867890       1.02303211
O       -0.73210000       4.51857000       0.94855000       0.73850124      -1.26020181      -0.48183540
O        1.16045000       2.77318000       3.51438000      -0.07324925      -0.64026150      -0.82737527
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.271974 magmom=20.003557 free_energy=-109.27197422 stress="-0.07640963385102467 -0.03053884037801583 0.009115531864837458 -0.03053884037801583 -0.08238467506415884 0.0005135620688243162 0.009115531864837458 0.0005135620688243162 -0.03359713982290061" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12821000      -0.01365000       4.31723000      -0.82121391      -0.05362338       0.02653582
Cr      -0.43371000       2.87597000       2.20690000       0.45319570      -0.66659548       0.12516278
Cr       1.44930000       0.01781000       1.01637000       0.73751569       0.00583830       0.58058597
Cr       2.99135000      -1.40835000       3.28879000       1.71451228       0.00072179      -0.26638470
Cr       4.40374000      -0.07384000       1.20338000      -1.18310968       0.71537605      -1.57737288
Cr       2.72764000       1.46681000       3.27279000      -0.32203467      -0.18981275      -0.35867271
O       -0.13941000       1.26895000       1.03679000       2.22862084       1.55033849      -1.22409489
O       -1.98579000       3.02043000       3.39969000       0.13679412       1.28507278       0.79662751
O       -1.51964000       0.12416000       3.12449000      -0.34008415       0.09941878       0.74683473
O        2.97476000       1.41887000       1.29198000      -0.52789774      -0.66266308      -0.21515942
O        2.27301000       4.43843000       1.03604000      -1.81043305      -0.26800592       1.93392066
O        1.59311000      -0.09484000       3.01402000      -0.48280554      -0.53381950      -0.20077062
O       -0.74259000       4.34217000       0.97594000       0.50175029       0.54489278      -1.20008981
O        1.17619000       2.84414000       3.38607000      -0.28481019      -1.82713885       0.83287758
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.68873547 magmom=20.0080605 free_energy=-108.68897067 stress="-0.06210405627459272 0.012734022575995886 0.013331935239034042 0.012734022575995886 -0.03750507236836095 0.0012818488070151224 0.013331935239034042 0.0012818488070151224 -0.07038291065793588" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16249000       0.07129000       4.29786000      -1.03252879       0.66075183       2.54592204
Cr      -0.41268000       2.79360000       2.16673000      -0.62093326      -0.37762241       0.68087956
Cr       1.39048000      -0.00664000       1.03366000       2.36223112      -0.19754067       1.10253982
Cr       2.99086000      -1.36328000       3.22919000       0.70504280      -1.90595735       1.24900068
Cr       4.43515000      -0.04288000       1.23181000      -1.12912709       0.26942305      -1.86226584
Cr       2.72611000       1.46757000       3.29740000      -0.37693022      -0.02166707      -1.76431733
O        0.03877000       1.29522000       0.96005000      -1.80095602       1.02237298      -0.33472011
O       -2.05421000       3.13905000       3.50641000       1.29876263      -0.81805128      -1.85450603
O       -1.39863000       0.16493000       3.21399000      -2.29634622       0.35049509      -1.48545541
O        2.73570000       1.45314000       1.21599000       1.71189258      -1.05749418       1.00010365
O        2.22797000       4.43002000       1.25676000      -0.31678602       0.01501061       0.24420369
O        1.50856000      -0.13000000       3.07359000       1.40015570      -0.34923505      -1.68278916
O       -0.61131000       4.19851000       0.86338000      -1.12499477       1.70917487       0.19569956
O        1.09869000       2.63303000       3.33344000       1.22051755       0.70033959       1.96570487
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.97965347 magmom=20.0031683 free_energy=-108.97965348 stress="-0.02858497823238241 0.028585262589296674 0.012781554046004465 0.028585262589296674 -0.015326946168855243 -0.03840503777247478 0.012781554046004465 -0.03840503777247478 -0.10777968177676708" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.67253000       3.08671000       0.05428000       0.10503237      -0.56660581      -0.53552514
Cr      -0.40373000       2.66919000       2.16319000       0.06280808       2.47548832       0.92016223
Cr       1.45403000      -0.02846000       1.10340000      -0.86805276       0.05791887      -2.15037928
Cr       3.05529000      -1.43056000       3.25774000       0.58145568      -0.07702011       1.25343252
Cr       4.39037000       0.01504000       1.14647000      -0.50187996      -0.28848770      -0.29947873
Cr       2.70377000       1.46797000       3.21764000       0.43067113      -0.27217010       0.23900729
O       -0.00506000       1.52390000       0.80850000       0.53678855      -3.48417080      -0.44842581
O       -1.86145000       3.10144000       3.30626000      -1.70170106      -0.13541281       1.80589881
O       -1.57139000       0.25703000       3.13306000       0.51139024      -0.62729310      -0.57413832
O        2.74304000       1.37128000       1.21884000       1.77001602       0.42368744       0.03520951
O        2.11873000       4.35718000       1.43225000       0.81738229       0.30916159      -2.52876653
O        1.52780000      -0.18595000       2.99401000      -0.58077688       0.39260364       1.85221833
O       -0.62708000       4.31591000       0.83428000      -0.76376215       0.39794970       1.00906836
O        1.10565000       2.51889000       3.55244000      -0.39937154       1.39435088      -0.57828324
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.46740898 magmom=20.0020838 free_energy=-108.46740898 stress="-0.05464706128109793 0.031188607960743502 0.016443024856301787 0.031188607960743502 -0.07012109977232293 -0.04927954181516915 0.016443024856301787 -0.04927954181516915 -0.10022680983187644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.64023000       3.16001000       0.13438000       0.88278575      -3.10124880      -3.24301488
Cr      -0.38462000       2.65140000       2.18239000      -0.08458460       1.52632579      -0.66882777
Cr       1.49035000      -0.04797000       1.09166000      -1.79087701       0.57798754      -0.14944696
Cr       3.15324000      -1.50837000       3.31934000      -1.35133805       1.69111895      -2.54651403
Cr       4.31601000       0.06112000       1.05033000       0.90829525      -1.68196963       1.46439558
Cr       2.69189000       1.45396000       3.14285000      -0.61879153      -0.40743119       2.22346661
O       -0.04834000       1.32042000       0.80506000       1.60146598       0.07624749       1.42676061
O       -1.87142000       2.96122000       3.32736000      -0.87114799       0.72958244       1.70335021
O       -1.66513000       0.21681000       2.98639000       1.43803123      -0.82093216       1.73362780
O        2.98502000       1.40066000       1.19892000      -2.17875163       1.09941282      -0.36051256
O        2.13667000       4.40438000       1.29167000      -0.44428075       1.82965710       2.78659003
O        1.47752000      -0.14692000       3.17350000       1.16103486      -0.27817614      -1.25959910
O       -0.74035000       4.48794000       1.00599000       0.22046238      -1.26542276      -0.78905390
O        1.04307000       2.64685000       3.56151000       1.12769612       0.02484854      -2.32122164
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.33404195 magmom=19.998765 free_energy=-108.33404197 stress="-0.08992763215959168 -0.009585215001035173 0.004123523377030169 -0.009585215001035173 -0.10327525814062859 -0.007045733000624747 0.004123523377030169 -0.007045733000624747 -0.035072561133704445" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.64644000       3.08531000       0.05577000      -0.74611276       0.87756802      -0.46715637
Cr      -0.38309000       2.72391000       2.16679000      -1.64995615       0.47859841      -0.30201200
Cr       1.41841000      -0.04500000       1.07241000       0.44311411      -0.21137717       2.26135019
Cr       3.17567000      -1.48206000       3.26015000      -1.19216904       0.85975530       1.65883927
Cr       4.29677000       0.03693000       1.04117000       1.33128097       0.60255613       0.48862227
Cr       2.66460000       1.41642000       3.18681000       0.77995672       0.44293180       0.98168260
O        0.06846000       1.19166000       1.06771000      -1.63543795       2.03301058      -1.69274385
O       -1.98528000       2.91983000       3.56043000       1.32457623       0.43469079      -2.05460644
O       -1.50222000       0.06051000       3.12534000      -0.28327345       1.54023656      -0.35508633
O        2.90628000       1.56393000       1.13807000       0.24834658      -2.37980522       1.86016676
O        2.18512000       4.57105000       1.40577000      -0.05289970      -2.16934915      -2.05612435
O        1.56581000      -0.11978000       3.21532000       0.31614443      -1.14354696      -1.39644148
O       -0.78752000       4.41619000       1.06968000      -0.22200389      -0.43746947      -1.39617771
O        1.15334000       2.80053000       3.21609000       1.33843389      -0.92779963       2.46968744
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.04674063 magmom=20.0025459 free_energy=-109.0467413 stress="-0.056412270530367736 0.00038023394680157855 0.010231028138342937 0.00038023394680157855 -0.06233306481537195 -0.013664396225597454 0.010231028138342937 -0.013664396225597454 -0.04214137884266898" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09436000       0.13527000       4.32653000       1.65037105      -1.27159724       0.63785088
Cr      -0.45027000       2.82422000       2.15647000       0.71266228       0.24047473       1.51377106
Cr       1.36048000      -0.04219000       1.14334000       1.65315211       0.05444898      -1.07840765
Cr       3.14598000      -1.40898000       3.27131000       1.26836413      -1.09081888       0.07132092
Cr       4.34185000       0.02896000       1.06557000      -0.46639559      -0.05657001       0.13608431
Cr       2.68719000       1.40780000       3.28078000       1.73511972       0.40718648      -0.36767819
O       -0.04655000       1.39127000       1.02952000       0.51002031      -1.47641709      -2.13836113
O       -1.86331000       2.96359000       3.46602000      -1.12300148       0.71997420       1.05845290
O       -1.40600000       0.13249000       3.24676000      -2.45857820       0.38993788      -2.45987094
O        2.80480000       1.42496000       1.28258000       0.70044444      -1.04969757      -0.04191184
O        2.25433000       4.37641000       1.19165000      -1.02242501       1.69814244       1.45520910
O        1.62817000      -0.21685000       3.06559000      -1.09054692       0.07937208       0.51424220
O       -0.80067000       4.24796000       0.93234000      -0.13095954       1.87353810      -0.78643580
O        1.34142000       2.78144000       3.25025000      -1.93822731      -0.51797413       1.48573419
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.25955952 magmom=20.0039176 free_energy=-109.25955952 stress="-0.05238022704893535 0.01942912309783718 0.025586633519549606 0.01942912309783718 -0.030852431160378595 -0.0039682160490055254 0.025586633519549606 -0.0039682160490055254 -0.09928073924869496" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12427000       0.02682000       4.28207000      -1.38280403      -0.05817479       1.48893646
Cr      -0.46724000       2.91420000       2.19452000       1.70879176      -0.62540049      -0.47787761
Cr       1.40044000      -0.04276000       1.15847000       0.23908056      -0.21065399      -1.56374570
Cr       3.15797000      -1.40514000       3.28380000      -1.36847964      -1.07677663      -2.05853778
Cr       4.35804000       0.02111000       1.08674000      -0.82690162      -0.76875014      -0.68543581
Cr       2.77821000       1.43412000       3.32584000      -1.48684906       0.31461869      -1.76906434
O       -0.13403000       1.45394000       0.78186000       1.00242002      -0.23890579       2.43650876
O       -1.88640000       3.09607000       3.45301000      -0.75480710      -0.22627751       1.00603324
O       -1.55501000       0.23347000       3.08087000       1.39540433      -0.96233023       0.36632351
O        2.82669000       1.19441000       1.35769000       0.24137886       2.36362144      -1.03088096
O        2.19380000       4.36757000       1.13295000      -0.35839587       0.47792934       1.63402519
O        1.50121000      -0.27634000       3.06032000       1.45690658       0.10918247      -0.27634766
O       -0.77669000       4.32876000       0.82795000       0.11386281       0.61009653       1.88222743
O        1.18334000       2.69274000       3.48594000       0.02039239       0.29182110      -0.95216473
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.47766917 magmom=20.0003405 free_energy=-109.47766917 stress="-0.04639172233263935 0.024042604972456732 -0.004686096952439066 0.024042604972456732 -0.03436828233238441 0.013181780813562602 -0.004686096952439066 0.013181780813562602 -0.07603795240700095" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08111000      -0.08609000       4.31614000      -1.26672595       1.35096882       0.14441050
Cr      -0.39695000       2.96780000       2.20856000      -0.21579378      -0.62405028      -0.17879836
Cr       1.46705000      -0.03268000       1.09576000      -0.84611471       1.94700335       1.05263462
Cr       3.09502000      -1.45914000       3.22070000      -1.17986985       0.52527204       1.94097879
Cr       4.32183000      -0.01449000       1.07067000       0.39417149       0.94006628       0.27175688
Cr       2.79768000       1.46925000       3.27361000      -1.50764491      -0.80611709       0.06489308
O       -0.06254000       1.45912000       0.92083000       0.26476649      -0.75974132      -0.38564710
O       -1.96609000       3.12741000       3.53197000       1.00430774      -1.06052323      -1.14680623
O       -1.50186000       0.14012000       3.01111000      -0.25321260       0.35672718       1.05809893
O        2.88107000       1.37933000       1.21852000       0.25636199      -0.58703404       1.30411698
O        2.12552000       4.39562000       1.31872000       0.81450387      -1.16472023      -1.48151301
O        1.54892000      -0.24180000       3.09917000       0.94784531       0.97665765      -0.39949636
O       -0.70225000       4.48980000       1.03916000      -0.75787135      -0.77995983      -1.78271526
O        0.98447000       2.67805000       3.51556000       2.34527625      -0.31454930      -0.46191345
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.68004016 magmom=20.0050223 free_energy=-108.68004156 stress="-0.05717015075046089 0.0005406645863846574 -0.02033961396448808 0.0005406645863846574 -0.06927293105461847 0.017380746703253857 -0.02033961396448808 0.017380746703253857 -0.04393811869808056" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04784000      -0.11639000       4.35148000       0.94514305       1.02336128      -0.68693976
Cr      -0.31942000       2.98666000       2.20472000      -0.50738589      -0.22713157      -0.55235426
Cr       1.49343000       0.06651000       1.07133000      -0.41516267      -0.79403616       0.25140160
Cr       2.96881000      -1.49474000       3.23733000       2.63191287       0.71360793       0.85101057
Cr       4.30686000      -0.01419000       1.07119000       1.58813447      -0.20654334       1.21569182
Cr       2.73596000       1.47168000       3.21383000       1.80667855       0.40498811       1.70342967
O        0.04021000       1.37545000       1.12718000      -0.51674163      -0.43004667      -2.14146366
O       -1.85557000       2.96386000       3.40510000      -0.82340807       1.26472515       1.13262925
O       -1.44396000       0.02921000       3.14927000      -2.79964706       0.84009151      -1.99668790
O        2.97957000       1.50377000       1.26242000       0.21502854      -2.40342843       0.81839181
O        2.20842000       4.24558000       1.25934000      -0.50000955       1.67518477       0.15342325
O        1.69401000      -0.02866000       3.10735000      -2.23408202      -2.09848290      -0.27179619
O       -0.70497000       4.48785000       1.06129000      -0.15021802       0.17035344      -1.84788832
O        1.13024000       2.67221000       3.39863000       0.75975744       0.06735688       1.37115212
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.90646507 magmom=19.9995303 free_energy=-108.90646517 stress="-0.07820638118376419 -0.005892664471215332 -0.0018343818414554664 -0.005892664471215332 -0.09267285074092627 0.002810767228491567 -0.0018343818414554664 0.002810767228491567 -0.03908554685358694" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.16432000      -0.07135000       4.32695000       0.63125127      -0.88582585      -0.01074666
Cr      -0.25787000       2.98568000       2.16216000       0.46941481       0.01105475      -0.15926121
Cr       1.49520000       0.12950000       1.06819000       0.30796221      -3.18745459      -0.05709241
Cr       2.97013000      -1.47259000       3.31592000       1.37810492       1.05821095      -1.03292455
Cr       4.39067000      -0.03690000       1.13786000       0.55360448      -1.59082409      -0.41146456
Cr       2.75351000       1.46324000       3.25403000       0.40986529      -1.16619217       0.74687269
O        0.01005000       1.30892000       1.03424000      -0.32338002       1.22275374      -0.98588865
O       -1.79800000       2.97231000       3.37526000      -0.86182729       1.32429905       1.10111527
O       -1.71740000       0.03305000       3.11343000       1.72722966       0.75218199       0.32472358
O        3.03804000       1.26327000       1.36536000      -1.35811547       2.29198003      -2.04145659
O        2.26478000       4.32891000       1.11985000      -1.23858560       1.26431081       1.98405876
O        1.44825000      -0.08308000       3.11685000       0.62180746      -0.92367873      -0.70504326
O       -0.69167000       4.40190000       0.83536000       0.49203781       0.17881573       1.06003353
O        1.33304000       2.70539000       3.43579000      -2.80936954      -0.34963163       0.18707404
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.47972956 magmom=20.0030336 free_energy=-108.47973229 stress="-0.04963653535918579 0.00982150576641344 -0.019462669280762485 0.00982150576641344 -0.04674901927017309 0.011427046551745564 -0.019462669280762485 0.011427046551745564 -0.08659794656142321" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.23506000      -0.05337000       4.31242000       1.30933126       0.10046505       1.64682115
Cr      -0.18246000       2.98042000       2.11182000      -0.39243283      -0.32946999       1.07072255
Cr       1.50190000       0.04140000       1.06322000      -1.02386184       0.47922298       0.24544997
Cr       3.03628000      -1.40996000       3.33866000      -1.67750245      -1.22742527      -1.83520467
Cr       4.49163000      -0.12265000       1.18217000      -2.08651304       1.62755408      -1.75447176
Cr       2.79068000       1.43606000       3.31976000      -2.20362870       1.61779249      -2.60377501
O       -0.09224000       1.44492000       0.85158000       0.81693987      -0.85363944       1.68793031
O       -1.84654000       3.15547000       3.46505000      -0.66855545      -0.68312021      -0.84492519
O       -1.68017000       0.14941000       3.11263000       0.87820511       0.18965757      -0.67934793
O        2.87104000       1.35471000       1.14519000       1.08503611       0.33693887       2.05579135
O        2.16751000       4.53664000       1.23068000       0.73061090      -2.22277032       0.65312517
O        1.20859000      -0.32965000       3.05286000       2.31691252       0.60587691      -0.58068407
O       -0.57649000       4.31887000       0.84121000      -0.95194856       0.98791826       0.20225017
O        1.13456000       2.70877000       3.49237000       1.86740709      -0.62900098       0.73631795
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.85563316 magmom=20.000755 free_energy=-108.855635 stress="-0.033781947387906866 0.035735602546373146 -0.030287431603995107 0.035735602546373146 -0.012759516400752614 0.011237934373932916 -0.030287431603995107 0.011237934373932916 -0.09546032623646185" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.34154000       2.84306000       0.01572000       1.42676481       0.36708235      -0.12289503
Cr      -0.13255000       2.95885000       2.13045000      -0.83724011       0.55389419       1.44783548
Cr       1.47608000      -0.02253000       1.06605000       0.13950859       1.43251759      -0.07806008
Cr       3.01765000      -1.41317000       3.28339000       0.08225979       0.04527059       1.28116120
Cr       4.46405000      -0.11999000       1.13260000      -1.45831846       1.79465301       0.44187406
Cr       2.72500000       1.48700000       3.24354000       0.39984864      -0.14073216      -0.41238884
O       -0.06604000       1.46276000       0.94833000       0.43077971      -1.82693531      -0.94169676
O       -1.95648000       3.18545000       3.40605000       0.49276417      -1.12969992       0.23124070
O       -1.46823000       0.29324000       3.04109000      -2.33935389      -0.24206735      -0.44618564
O        2.80327000       1.52214000       1.24656000       0.77228738      -2.61263190       1.57662587
O        2.19466000       4.35552000       1.37240000       0.23642068       0.32949271      -1.50378107
O        1.31247000      -0.41781000       2.99777000       0.78680466       1.33457327       0.84283412
O       -0.61178000       4.36435000       0.93343000      -0.66066272       0.04469865      -1.69551901
O        1.15899000       2.64566000       3.56466000       0.52813675       0.04988428      -0.62104500
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.79268781 magmom=20.0018452 free_energy=-108.79268781 stress="-0.058874474277936 0.022258284696598164 -0.010633470242184176 0.022258284696598164 -0.05213285809169636 -0.011479218664928856 -0.010633470242184176 -0.011479218664928856 -0.09009252426110549" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.47978000       2.84630000       0.07889000       0.22045240      -1.78837553      -2.58125917
Cr      -0.14108000       2.95194000       2.21781000      -2.17042455       0.65284255      -1.63988905
Cr       1.44154000      -0.01405000       1.06503000      -0.06745478      -1.42845313      -0.19734178
Cr       3.00981000      -1.42916000       3.27321000       2.25832865       0.12428121       0.48706159
Cr       4.34200000      -0.01784000       1.08905000       0.37622851      -0.42073702       0.50212889
Cr       2.67847000       1.53127000       3.16965000       1.09317132      -2.57953690       3.15494927
O        0.02708000       1.26961000       1.00667000      -0.66483737       1.32094294      -0.77969520
O       -1.95100000       3.01323000       3.35558000       0.93131838       1.30257151       0.76768282
O       -1.56725000       0.31859000       2.99563000       0.19623294      -1.64152208       1.52292286
O        2.81074000       1.35764000       1.38034000       0.47942305      -0.14330700      -3.96961340
O        2.30488000       4.18726000       1.28515000      -1.54995221       3.48737251       1.77882354
O        1.52628000      -0.23005000       3.12025000      -0.73627186       0.32769103      -0.62822352
O       -0.73832000       4.39358000       0.82068000       0.56444366      -0.38399838       0.97850289
O        1.21850000       2.66196000       3.47485000      -0.93065814       1.17022827       0.60395026
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.83064652 magmom=20.0024737 free_energy=-108.83064652 stress="-0.0972859007780124 -0.031433285248447435 -0.010449077799949883 -0.031433285248447435 -0.11029292504078962 0.012831814147765151 -0.010449077799949883 0.012831814147765151 -0.024586029554176856" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62169000       2.79999000       0.03485000      -0.93350212       2.02046096      -0.76000404
Cr      -0.27351000       2.97195000       2.22151000      -0.58275263      -0.39334755      -1.56901661
Cr       1.39796000      -0.06404000       1.05403000       0.23835479       0.00452850       0.43160289
Cr       3.10860000      -1.43130000       3.29992000      -0.31185864      -0.13611062      -0.07133799
Cr       4.26080000       0.05627000       1.08208000       2.79362161      -2.01831028       0.16996436
Cr       2.70377000       1.46248000       3.23992000       0.82944272       0.79053972       0.12367458
O       -0.00726000       1.30085000       0.94813000      -0.20534820       0.76513314       0.04449115
O       -1.80492000       2.97400000       3.41014000      -1.73112431       0.32369285       0.29953520
O       -1.62956000       0.07836000       3.21033000       1.06632180       1.94514922      -1.18578875
O        2.85554000       1.22284000       0.97712000      -0.55142722       0.95383676       2.77951950
O        2.19554000       4.44074000       1.28916000      -0.46515564      -1.08471066       0.06175740
O        1.58200000      -0.00024000       3.18186000      -0.76481194      -2.35868948      -1.37121177
O       -0.74514000       4.34358000       0.87773000      -0.47211759       0.68404103      -0.10747309
O        1.15612000       2.84932000       3.41903000       1.09035735      -1.49621359       1.15428718
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.27522722 magmom=19.9986541 free_energy=-109.27522738 stress="-0.057966488253727494 -0.003238864574998547 0.009099814090858567 -0.003238864574998547 -0.06716504243225567 0.010990832547042995 0.009099814090858567 0.010990832547042995 -0.04954199982044827" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12964000      -0.03334000       4.31917000      -0.99584656       1.54077354       1.05561074
Cr      -0.41256000       2.96071000       2.15517000       1.26878204      -0.94327707       1.31465109
Cr       1.37505000      -0.09471000       1.06841000       0.95717165       2.37110239       0.74097264
Cr       3.17456000      -1.43335000       3.31366000      -1.54889441       0.02510345      -0.53028067
Cr       4.31570000       0.02790000       1.08554000      -0.27088271       0.08543759       0.29874900
Cr       2.75369000       1.41740000       3.30453000      -0.91422670       0.09173902      -1.14340357
O       -0.10389000       1.46962000       0.93562000       0.79959990      -1.33748348      -0.38883619
O       -1.89183000       3.00017000       3.44906000      -0.62875660       0.19007169       0.19596197
O       -1.48102000       0.13257000       3.23476000      -0.96188494       0.82276542      -1.78672738
O        2.83226000       1.30928000       1.05267000       0.38450591      -0.57666985       2.48781316
O        2.11395000       4.45921000       1.27043000       1.21573295      -1.50852035      -0.02468053
O        1.51147000      -0.12185000       3.05488000       1.40306841      -0.46458347      -0.38620074
O       -0.78137000       4.38397000       0.97294000      -0.62133843       0.45341512      -1.18538228
O        1.20405000       2.79478000       3.48635000      -0.08703052      -0.74987400      -0.64824723
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.14877168 magmom=20.0054513 free_energy=-109.14877168 stress="-0.03798841672000511 0.04037983798421433 0.01298778320682883 0.04037983798421433 -0.02252727273100402 -0.006702798243702846 0.01298778320682883 -0.006702798243702846 -0.09384104830772476" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12000000       0.08880000       4.28875000       0.38564319      -1.53261411      -0.15500732
Cr      -0.48678000       2.89666000       2.14892000       0.54046446      -0.14029316       1.14333095
Cr       1.41493000      -0.00729000       1.11727000       0.63794284       0.09043289      -0.57219187
Cr       3.14086000      -1.44670000       3.29079000      -1.03143838      -0.41583034      -1.09530960
Cr       4.35818000      -0.00005000       1.09225000      -1.35834563       0.60743689      -0.66460842
Cr       2.75328000       1.39255000       3.30980000      -0.93328271       0.18459715       0.78982130
O       -0.08175000       1.45202000       0.90838000       0.67189078      -0.77280787      -0.56727589
O       -2.02332000       3.03564000       3.47511000       1.81721474      -0.04339327       0.41941988
O       -1.39199000       0.31732000       3.01814000      -0.77064686      -1.35639759       0.98715224
O        2.83556000       1.39879000       1.46778000       0.17699526      -0.37058559      -3.40266414
O        2.25459000       4.23236000       1.21758000      -0.97497522       2.84705718       1.74730460
O        1.56943000      -0.32211000       2.98900000       0.03152218       0.79028821       1.38931565
O       -0.82680000       4.42776000       0.95496000       1.20997699      -0.59884161      -0.25502272
O        1.18361000       2.62812000       3.42147000      -0.40296164       0.71095122       0.23573535
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.48056888 magmom=20.0026051 free_energy=-109.48056907 stress="-0.04277574658140961 0.01873586437368641 0.019322588445050415 0.01873586437368641 -0.012861877269005773 -0.010771078048425859 0.019322588445050415 -0.010771078048425859 -0.07480709452629157" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10407000       0.16247000       4.27543000      -0.85893698      -0.54967335       1.37712173
Cr      -0.52507000       2.80590000       2.19759000       0.91966528      -0.75629000      -1.36184193
Cr       1.50365000       0.09821000       1.14593000      -0.99933649      -1.88183131      -0.61624822
Cr       3.05649000      -1.50396000       3.21797000       1.62156956      -0.66893809       1.41202317
Cr       4.33736000       0.00320000       1.06097000       1.23736038       0.37759928      -0.17845889
Cr       2.70048000       1.38914000       3.33429000       1.26098915       0.46294883      -0.34422226
O        0.01814000       1.33431000       0.83893000      -0.71795163       0.64194752       0.54673579
O       -1.84372000       3.04868000       3.52106000      -1.54220099      -0.03834385       0.32535900
O       -1.42596000       0.22606000       3.00924000      -1.12185468      -0.45700567       0.56704912
O        2.86669000       1.43801000       1.31846000       0.64946086       0.15621477      -0.23395297
O        2.29973000       4.38490000       1.33033000      -1.38852677       0.40248027      -1.07739167
O        1.58472000      -0.29579000       3.19445000       0.31080264       0.98709192      -1.61236802
O       -0.64936000       4.34128000       0.93157000      -0.57974015       0.97675897       0.07697783
O        1.07042000       2.59171000       3.35912000       1.20869982       0.34704073       1.11921733
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.24111935 magmom=20.0061386 free_energy=-108.24118569 stress="-0.07504187037754084 -0.012860313496343338 0.0181263340152217 -0.012860313496343338 -0.06936837230498677 -0.01288941707917849 0.0181263340152217 -0.01288941707917849 -0.04606523343421889" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03754000       0.20146000       4.31732000      -0.53813723       0.77269957       0.09866526
Cr      -0.51332000       2.66849000       2.19135000       0.31022548       0.57446487      -0.66202028
Cr       1.54398000       0.13287000       1.13709000      -2.15574537       0.14798655      -0.32547394
Cr       3.04148000      -1.59696000       3.20520000       0.80980487       2.75585553       0.68649316
Cr       4.37533000       0.03025000       1.02101000       0.03838111      -0.41892115       1.82374058
Cr       2.71126000       1.41156000       3.37644000       2.04511814       0.25513242       0.03673773
O       -0.01579000       1.32742000       0.88851000       0.46897283      -0.07726305      -0.57751998
O       -1.80636000       3.00938000       3.53021000      -1.92644635      -0.00732660      -0.29849381
O       -1.58850000       0.00565000       3.19989000      -0.34973465       1.31394676      -1.58064635
O        2.97954000       1.49714000       0.92643000       0.42211833      -1.11239618       2.86756779
O        2.13853000       4.62514000       1.28035000       1.41114357      -2.92591632      -0.20641444
O        1.57659000      -0.04049000       3.20949000      -0.14901696      -1.71979441      -1.60543017
O       -0.50662000       4.33095000       0.98825000      -1.36582177       0.93554374      -0.11836866
O        1.08059000       2.66267000       3.42723000       0.97913800      -0.49401174      -0.13883690
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.92351964 magmom=20.0029703 free_energy=-107.92351997 stress="-0.08139542161393148 -0.007512553612216585 0.02110184500952119 -0.007512553612216585 -0.13249147547416265 -0.04456162095559147 0.02110184500952119 -0.04456162095559147 -0.049114857462286596" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.47503000       3.12091000       0.00077000       1.53913181      -3.46859707      -3.29628672
Cr      -0.47604000       2.58314000       2.15735000      -0.61051950       2.53209050       1.67675973
Cr       1.48491000       0.14346000       1.10034000       1.34707157      -1.15172360      -0.84739664
Cr       3.07091000      -1.54360000       3.23566000      -1.41616688       1.46099245      -1.11834916
Cr       4.42126000       0.03023000       1.07588000      -1.39730728      -1.53408774       0.41820875
Cr       2.81632000       1.42009000       3.42620000      -2.86764570      -1.70840519      -0.84649590
O       -0.00938000       1.33746000       0.89164000       0.95154696      -0.16804227      -1.29847175
O       -2.01679000       2.95469000       3.41979000       2.50057295       1.80949390       0.23243045
O       -1.69699000       0.03034000       3.21901000       2.04165582       1.26313951      -1.13651443
O        3.09013000       1.46351000       0.94860000      -0.73778649      -0.46813646       1.78116929
O        2.16896000       4.43290000       1.11272000      -0.45272132       3.28132072       3.81505799
O        1.52755000       0.00330000       2.97897000       0.20954152      -0.91204519       1.50605856
O       -0.61281000       4.43560000       1.07622000      -0.36791865      -0.41482184      -0.59081142
O        1.23915000       2.68523000       3.45895000      -0.73945481      -0.52117771      -0.29535875
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.78425197 magmom=20.0044328 free_energy=-108.78425197 stress="-0.061194536580520306 0.037225606157091175 -0.0015678305359029241 0.037225606157091175 -0.03310621548298154 -0.020480083053275325 -0.0015678305359029241 -0.020480083053275325 -0.0730401810766455" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09686000       0.12184000       4.27854000       2.72227559      -1.28657744       2.40075684
Cr      -0.45016000       2.64263000       2.19313000       0.87506185       0.61193889      -0.68442670
Cr       1.47415000       0.09317000       1.02424000       1.07993080      -0.65914331       0.50129567
Cr       3.04568000      -1.38704000       3.21494000       0.01881123      -1.66734525       1.02152963
Cr       4.39698000      -0.03959000       1.15853000       0.05627705       1.86251268      -2.40296464
Cr       2.79833000       1.36780000       3.43836000      -1.74666664       1.86816272      -2.20982985
O        0.09653000       1.38078000       0.77549000      -0.95750363       0.52464037       0.90019776
O       -1.89240000       3.10973000       3.30244000      -0.93525377      -0.25166063       2.25411321
O       -1.44899000       0.27481000       3.05762000      -1.66005642      -0.41775152      -0.19190252
O        2.98490000       1.37666000       1.28336000      -0.37443243       0.57382335      -0.12494189
O        2.24909000       4.47550000       1.36059000      -1.11315494      -0.61084634      -2.24602552
O        1.45434000      -0.12814000       2.99326000       0.80530550       0.17732621       1.12324751
O       -0.77561000       4.43291000       1.07113000       1.93475946      -1.23465432      -0.86777865
O        1.28158000       2.65442000       3.41367000      -0.70535365       0.50957460       0.52672914
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.85640156 magmom=20.0037926 free_energy=-108.85640156 stress="-0.04247880661622497 0.03020322244237806 0.005292163254614382 0.03020322244237806 -0.007669890004925979 -0.010516215360568069 0.005292163254614382 -0.010516215360568069 -0.10181596374096835" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00774000      -0.06445000       4.28133000      -1.29826413      -0.23679530       2.66217473
Cr      -0.39825000       2.75281000       2.20749000      -0.29897929       0.16883016      -0.01211637
Cr       1.51381000       0.02193000       0.98666000      -1.46189814       0.32169403       1.87987731
Cr       3.01741000      -1.33531000       3.24667000       1.73171662      -2.00519395       0.62405379
Cr       4.38054000      -0.03396000       1.11453000       0.83208777       1.02745128      -0.97707318
Cr       2.67550000       1.40154000       3.35213000       0.71950096       1.29162960       0.11404035
O        0.03442000       1.48695000       0.84244000       0.12788158      -1.62484416      -0.43598227
O       -1.79511000       3.19899000       3.46065000      -1.38543533      -0.20480553      -0.19482098
O       -1.33965000       0.40494000       2.98312000      -1.37772651      -0.69346851       0.75972763
O        2.79756000       1.40220000       1.47209000       0.89870709       0.29723626      -2.61516786
O        2.18548000       4.47524000       1.29142000       0.31606217      -0.85607601      -0.57738204
O        1.50822000      -0.19832000       3.21680000       0.93850545       0.61535857      -1.93396817
O       -0.66053000       4.26900000       0.94697000      -0.35001594       1.74598750      -0.10486172
O        1.17634000       2.72045000       3.43057000       0.60785769       0.15299606       0.81149879
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.14478852 magmom=19.9987844 free_energy=-109.14478864 stress="-0.03409457761449817 0.005939410728168329 -0.004314053232501144 0.005939410728168329 -0.042667765733509326 0.023122801998884345 -0.004314053232501144 0.023122801998884345 -0.0744066894325762" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.55957000       2.69034000       0.02248000      -1.59284821       3.21519809      -2.73531376
Cr      -0.36957000       2.84900000       2.20658000      -0.85482253       0.08089514      -0.13132680
Cr       1.48836000      -0.01951000       1.04914000      -0.24374704      -0.13193759       0.82603634
Cr       3.07250000      -1.39440000       3.30872000       1.24469161       0.83490147      -1.22965792
Cr       4.39754000       0.01524000       1.04577000      -1.04191906      -0.50108419       2.13047970
Cr       2.61779000       1.48979000       3.27402000       2.33153360       0.22752081      -0.17046686
O       -0.03415000       1.39409000       0.92679000       0.70029227      -0.08552223      -0.26224809
O       -1.87437000       3.17909000       3.50057000      -0.44363166      -0.43218126      -0.92845783
O       -1.43022000       0.35132000       3.08334000      -1.32374554      -1.04318306      -0.66053403
O        2.78688000       1.45344000       1.25992000       1.68074030      -3.07423293       2.78828842
O        2.19397000       4.35470000       1.09047000       0.52647384       0.89855702       1.87261130
O        1.59542000      -0.14023000       3.16801000      -0.39465313      -0.29259463      -1.08286079
O       -0.59631000       4.35034000       0.88000000      -1.23404450       0.60600108       0.19460899
O        1.13378000       2.80249000       3.48758000       0.64568006      -0.30233772      -0.61115867
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.36774144 magmom=20.0024284 free_energy=-109.36774144 stress="-0.08688852381361624 -0.015139764926720868 0.00193683042787788 -0.015139764926720868 -0.09194698756523012 0.006642877009830352 0.00193683042787788 0.006642877009830352 -0.034153756676762015" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.49543000       2.72693000       0.01840000       0.10745806       0.18523454      -0.52324881
Cr      -0.38098000       2.94218000       2.19448000       0.39644714      -0.03972783      -0.77736157
Cr       1.45138000      -0.06277000       1.14032000       0.90268895       0.31392942      -1.68176474
Cr       3.17362000      -1.41050000       3.30017000      -2.72826619      -0.67967339      -0.49127216
Cr       4.36587000       0.02519000       1.08619000       0.94651762      -1.59661536      -0.03604688
Cr       2.68254000       1.56074000       3.21036000      -0.25026020      -2.56656833       0.49473621
O       -0.00135000       1.33940000       0.99798000       0.73101326       0.68860772      -0.59654474
O       -1.95285000       3.04622000       3.34676000       0.92748297       0.62040378       1.34894736
O       -1.64121000       0.09886000       3.13530000       2.04406554       2.40914221      -0.12294905
O        2.98919000       1.22286000       1.26776000      -1.95317253       2.51323726      -0.37782860
O        2.30771000       4.33537000       1.19367000      -1.02250470       0.27992916       0.87016403
O        1.55921000      -0.10837000       3.00842000      -0.19928117      -0.38128598       1.77131920
O       -0.72826000       4.48825000       0.89484000       0.00415815      -1.35011393      -0.32093452
O        1.17210000       2.83098000       3.41152000       0.09365310      -0.39649927       0.44278427
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.48225104 magmom=19.9988113 free_energy=-109.48225118 stress="-0.04646301031582248 0.010929724964564905 -0.014081325458821724 0.010929724964564905 -0.04192668333061723 0.01524792895667249 -0.014081325458821724 0.01524792895667249 -0.05616401117191985" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11448000      -0.06439000       4.32711000       1.46819271      -0.31050567       1.70313763
Cr      -0.36295000       3.03673000       2.14257000       1.24289731      -1.57330906       0.46430947
Cr       1.45468000      -0.08881000       1.15749000      -0.10188169       1.00288301      -0.81568662
Cr       3.14384000      -1.44796000       3.27012000      -0.64895778       0.01342969       2.37422099
Cr       4.36742000      -0.03704000       1.13897000       0.27226977       1.61362009      -1.20877300
Cr       2.74643000       1.48517000       3.17520000      -1.19537559      -0.63516525       1.19061022
O        0.10938000       1.41562000       0.99585000      -0.67797131      -0.88722832      -0.89504310
O       -1.84886000       2.98314000       3.37280000      -0.77230897       0.79067219       1.33638202
O       -1.52368000       0.18266000       3.16098000      -1.52114603       0.39570563      -1.79043005
O        2.88867000       1.33746000       1.23291000       0.40290620      -0.48549850       0.13025530
O        2.26831000       4.34776000       1.39849000      -0.80571476       0.10523790      -1.85471551
O        1.45871000      -0.13294000       3.14698000       1.25866216      -0.25682544      -0.69781008
O       -0.81834000       4.38086000       0.90562000       0.88009963       0.74406763      -1.17102480
O        1.19809000       2.78620000       3.35684000       0.19832836      -0.51708387       1.23456753
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.58449602 magmom=20.0044915 free_energy=-108.58449648 stress="-0.030262287128987174 0.03444397440554639 -0.01135310651388579 0.03444397440554639 -0.02504597387644018 0.010064907352067137 -0.01135310651388579 0.010064907352067137 -0.08689956187257329" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11720000       0.04363000       4.34400000       0.04775782       0.34106080      -0.06019612
Cr      -0.26362000       3.05108000       2.11255000       0.29891271      -1.82604340       1.63390849
Cr       1.45753000      -0.05294000       1.11693000      -0.51150042       1.42635829      -0.16186298
Cr       3.02890000      -1.53013000       3.34892000       1.21511684       0.75525052      -1.09773448
Cr       4.40435000      -0.04980000       1.12186000      -0.77960033       0.63940065      -1.36281488
Cr       2.74405000       1.34399000       3.19976000      -0.54140431       2.70038652       0.36737914
O        0.05731000       1.41856000       0.87689000      -0.80253390      -0.65581482       0.84976921
O       -1.76251000       3.06020000       3.55329000      -1.24858323      -0.09424836      -1.50285228
O       -1.42805000       0.42883000       2.96593000      -0.32976423      -1.80006343       0.40020207
O        2.70220000       1.52701000       1.20603000       1.55150244      -2.48134365       1.78645436
O        2.08985000       4.36117000       1.31181000       1.00752609       0.28882425       0.66308707
O        1.50951000      -0.20174000       3.28503000       0.71044458      -0.59632304      -1.99283581
O       -0.69873000       4.30610000       0.79819000      -0.32761747       1.41450060       0.44452750
O        1.20077000       2.65365000       3.46750000      -0.29025659      -0.11194492       0.03296872
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.34540854 magmom=20.0024212 free_energy=-108.34540854 stress="-0.051710222396474506 0.00571808737630033 -0.01591390193752102 0.00571808737630033 -0.0474049443450723 -0.008803641706466225 -0.01591390193752102 -0.008803641706466225 -0.1146088270457429" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.45595000       3.03855000       0.02437000       1.06705615      -2.13836506      -1.30751254
Cr      -0.13743000       2.95607000       2.16853000      -1.77931756       0.86777843      -0.49913282
Cr       1.43941000       0.06837000       1.04813000       0.10809915      -0.68990403       0.56973171
Cr       2.96498000      -1.59018000       3.38404000       2.25627161       1.36936615      -3.18583209
Cr       4.39149000      -0.03141000       1.03635000      -2.27792054      -1.15184216       2.49356865
Cr       2.71645000       1.32729000       3.25904000       1.52822741       0.91740420       0.34306810
O       -0.16593000       1.35493000       0.91918000       1.66935110       0.70300017      -0.00196898
O       -1.87031000       3.12483000       3.45752000      -0.44533146      -0.48579889      -0.42852727
O       -1.40197000       0.36020000       2.90042000      -0.77273007      -1.16946711       1.89680239
O        2.75032000       1.41813000       1.36758000       0.83903472       0.63307944      -1.75552623
O        2.08596000       4.41544000       1.21118000       0.50999335       0.83579874       1.71577678
O        1.60600000      -0.30606000       3.12243000      -1.86598660       0.89271750       0.27028468
O       -0.56946000       4.41045000       0.84895000      -1.45679539      -0.67622916       0.70357222
O        1.13021000       2.51815000       3.52475000       0.62004811       0.09246176      -0.81430462
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.60520329 magmom=19.9996118 free_energy=-108.60520329 stress="-0.07780337765617708 0.0037858911940503084 -0.01969528865315971 0.0037858911940503084 -0.0501348571669284 -0.006080330435189933 -0.01969528865315971 -0.006080330435189933 -0.024964182706666047" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54129000       3.06147000       0.00928000       1.66839766      -0.90694384       0.11159579
Cr      -0.11477000       2.89067000       2.20191000      -2.49098802       1.60232871      -1.27464570
Cr       1.42074000       0.16799000       0.99901000      -0.39264087      -1.65149743       1.07905184
Cr       3.00036000      -1.55979000       3.24053000      -0.20641818       1.98646142       0.61896577
Cr       4.27768000      -0.05708000       1.07179000       2.81485267       1.31314979       1.54300449
Cr       2.76295000       1.36522000       3.33059000       0.33818296      -1.17863323      -0.30018139
O       -0.14744000       1.38507000       1.00724000       0.53290742      -1.00177026      -1.78060459
O       -2.03041000       3.05544000       3.25304000       1.17537895      -0.76805771       1.60378825
O       -1.49889000       0.04301000       3.22437000      -2.23934005       0.35299753      -1.58908680
O        2.93291000       1.38075000       1.27377000      -0.57006362       0.25692153      -0.07704227
O        2.21403000       4.49285000       1.29547000      -2.29286074      -1.46134730      -0.18448725
O        1.41278000      -0.22694000       3.00758000       1.08446459       0.06793600       0.56274795
O       -0.65460000       4.40541000       1.06986000      -0.60408080       0.40499502      -2.07397512
O        1.14991000       2.43617000       3.43955000       1.18220801       0.98345979       1.76086903
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.64622531 magmom=20.0036957 free_energy=-108.64622531 stress="-0.06854808911464551 -0.00030975726618217295 0.007406247704497774 -0.00030975726618217295 -0.07715537331850199 -0.013009673696020019 0.007406247704497774 -0.013009673696020019 -0.03184252584744745" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12267000       0.13964000       4.34725000      -0.92602242       0.13347139       0.57405367
Cr      -0.21841000       2.90085000       2.16902000      -0.21207277       0.23414391       0.40755498
Cr       1.39508000       0.16338000       1.01255000       0.85549051      -2.05632695       0.31185680
Cr       3.01206000      -1.47903000       3.14792000      -1.97858064      -3.26918265       2.48487234
Cr       4.28878000      -0.03666000       1.18170000       1.17685901       0.18400903      -1.18291611
Cr       2.80998000       1.34755000       3.37593000      -2.44912555       0.30628771      -0.67277748
O       -0.03899000       1.35320000       0.88727000      -1.19447463       0.25335306       0.00919042
O       -1.95727000       2.90858000       3.32729000       0.88362510       1.47959595       0.77125266
O       -1.72470000      -0.06752000       3.34683000       2.94864011       2.68731434      -1.74267575
O        2.96594000       1.40631000       1.13059000      -0.71596584      -0.74274805       1.33222271
O        2.07535000       4.35630000       1.26032000      -0.21844362       1.05005689      -0.29270306
O        1.39374000      -0.10548000       3.02933000       2.31781739      -0.84883729      -1.36066461
O       -0.79139000       4.37814000       1.00412000       0.48028685       0.09428088      -0.39405503
O        1.24018000       2.57718000       3.51031000      -0.96803350       0.49458178      -0.24521154
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.12991248 magmom=20.002083 free_energy=-109.12991248 stress="-0.03735960838706554 0.0018550767695735934 0.008493773509942357 0.0018550767695735934 -0.04790889885265764 -0.002306313231655415 0.008493773509942357 -0.002306313231655415 -0.06787459980267364" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18930000       0.09385000       4.34728000      -0.72039062      -0.03347436      -0.34238489
Cr      -0.33048000       2.91690000       2.15706000       0.17950695      -0.40476131       0.22823944
Cr       1.40931000       0.06544000       1.03972000       0.32713215      -0.51810505       0.01953228
Cr       2.96065000      -1.52895000       3.19492000       2.54648885       1.18609528      -0.01723913
Cr       4.36691000       0.00559000       1.20845000      -1.53821648      -0.06147785      -1.66055606
Cr       2.74842000       1.36254000       3.37151000       0.77256092       1.94126834      -1.98794089
O       -0.10172000       1.36845000       0.83976000       0.51404443       0.13802422       0.29454604
O       -1.77155000       2.97507000       3.49140000      -2.21811050       0.31314530      -0.79971717
O       -1.50535000       0.18554000       3.14555000      -0.27067157      -0.99953013      -0.15314682
O        2.84608000       1.36067000       1.18803000       0.75451107       0.05051520       1.27546732
O        1.96358000       4.31140000       1.16019000       1.29782471       0.59217273       1.51680853
O        1.62934000      -0.12222000       2.99669000      -1.45020562      -0.80537075       0.77372573
O       -0.79855000       4.33097000       0.91540000      -0.28230091       0.82991648       0.32875135
O        1.11571000       2.78795000       3.48416000       0.08782660      -2.22841809       0.52391428
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.45264462 magmom=20.0048616 free_energy=-109.45264476 stress="-0.025384076045057217 0.021598821435005678 0.01178965996930368 0.021598821435005678 -0.017257133246766698 -0.0011673912824081076 0.01178965996930368 -0.0011673912824081076 -0.08854300584486473" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18567000       0.04634000       4.34091000      -1.30405985       0.12308092       0.91906448
Cr      -0.43346000       2.90740000       2.16701000      -0.14574364      -0.26313602      -0.13339583
Cr       1.45244000      -0.04967000       1.06841000      -0.40703684       0.70846958       0.91584592
Cr       3.02389000      -1.53541000       3.25352000       0.81651193       1.25092432       0.03839690
Cr       4.36219000       0.04408000       1.13343000      -0.86474549      -0.64006569      -0.88133337
Cr       2.71045000       1.46426000       3.27022000       0.27555902      -0.92533228       0.75997409
O       -0.09489000       1.43421000       0.89440000       0.91572580      -0.72314975      -0.68169271
O       -1.91336000       3.08483000       3.47523000      -0.54347302      -0.40429709      -0.03195006
O       -1.27324000       0.26379000       2.98472000      -1.84897737      -0.33698328       1.70553448
O        2.82385000       1.36372000       1.37977000       0.39945269       0.17012182      -1.61565920
O        2.15535000       4.34284000       1.26519000       0.18845039       0.32763335       0.21310083
O        1.60318000      -0.22805000       3.12453000       0.47203154       0.27122939      -1.17586069
O       -0.78052000       4.37694000       0.92220000       0.17542904       0.65284815      -0.62456608
O        0.99669000       2.68421000       3.45279000       1.87087581      -0.21134342       0.59254124
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.09327804 magmom=20.0009435 free_energy=-109.09327832 stress="-0.05763770048266579 0.015816485879906805 0.012570269393859827 0.015816485879906805 -0.04125869189564946 -0.0005385484963381636 0.012570269393859827 -0.0005385484963381636 -0.060558450729079574" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.64364000       2.89068000       0.01412000      -0.28832045       0.56550824       0.43956773
Cr      -0.53948000       2.87279000       2.17174000       0.97321174      -0.36602320      -0.53864173
Cr       1.48348000      -0.12239000       1.14342000       0.01454460       1.67916257      -0.38477738
Cr       3.13234000      -1.44391000       3.31511000      -0.58858270       1.51057095       0.04902535
Cr       4.32048000       0.05592000       1.02186000       2.08920426       0.22899312       1.39577323
Cr       2.69260000       1.51537000       3.19568000       0.16367924      -2.51411156       1.21775711
O        0.03247000       1.42740000       0.90874000      -0.12195980      -0.65704408       0.06901125
O       -2.04644000       3.06080000       3.39023000       2.04093394      -0.27074382       1.17785861
O       -1.33995000       0.23817000       3.13235000      -2.44061802       0.21924716      -1.27914810
O        2.88141000       1.41908000       1.25856000       0.12325557      -1.18736395       0.10171206
O        2.41716000       4.38095000       1.36870000      -2.22909626      -0.32636878      -0.68005866
O        1.55267000      -0.26133000       3.14356000       0.99249307       0.51671375      -1.02293662
O       -0.70338000       4.46942000       0.90701000      -0.42541796      -1.00203561      -0.21551814
O        1.08867000       2.56230000       3.43310000      -0.30332722       1.60349521      -0.32962471
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.64055818 magmom=20.0039677 free_energy=-108.64055818 stress="-0.07034276001588752 -0.008246442719531661 0.01901179719174192 -0.008246442719531661 -0.09154525947130836 -0.0005110966290290285 0.01901179719174192 -0.0005110966290290285 -0.04417674915556975" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.51045000       2.88934000       0.05825000       0.04573677       0.36576563      -1.27224050
Cr      -0.58269000       2.80789000       2.13569000       2.15382631      -0.50719594      -0.37879379
Cr       1.50703000      -0.11408000       1.19383000       0.04575962       0.31820253      -2.81856829
Cr       3.21841000      -1.28098000       3.38028000      -2.16588722      -5.45392901      -1.03736951
Cr       4.38666000       0.05565000       0.96789000       0.60604172      -1.57989484       0.41033996
Cr       2.67686000       1.44997000       3.19953000      -0.46500006       2.10894430       0.53782145
O        0.09752000       1.33672000       0.96636000      -0.24986224       0.19188495      -0.05654860
O       -1.84444000       2.96188000       3.47432000      -1.90427827       1.19981495       1.26386349
O       -1.70161000       0.23308000       3.20451000       3.95049754       2.08559644      -1.11016163
O        2.95095000       1.31993000       1.04269000      -0.19211950      -0.13062747       2.16430025
O        2.34139000       4.36339000       1.30904000      -0.50313607       0.86380638       0.61900625
O        1.60490000      -0.15498000       3.06569000      -0.99763384      -0.20083311       1.45161449
O       -0.66009000       4.36713000       0.90395000      -0.78205519       0.40185731      -0.39941982
O        1.14712000       2.74187000       3.33665000       0.45811044       0.33660789       0.62615626
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.65130878 magmom=19.9961001 free_energy=-108.65130879 stress="-0.05418005875448111 0.007253787840317487 -0.0005760444622760532 0.007253787840317487 -0.06824338943068917 -0.015396829725103926 -0.0005760444622760532 -0.015396829725103926 -0.04670039406931284" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.37586000       2.91335000       0.05252000       1.56914897      -1.29777925       0.47454885
Cr      -0.50731000       2.72153000       2.10150000      -0.57772696       0.68747011       2.14357204
Cr       1.52851000      -0.07892000       1.12313000      -1.13323310       0.36316350       1.31703158
Cr       3.21855000      -1.34436000       3.38717000      -0.55603698       0.83706867      -1.50001886
Cr       4.48603000      -0.02626000       0.94625000      -2.71412615      -0.24885154       1.84122904
Cr       2.64492000       1.47550000       3.24032000       1.15884612       0.90228202      -0.33600330
O        0.06234000       1.30317000       1.03146000       0.87435097      -0.14202479      -1.71241910
O       -1.84562000       3.04767000       3.60911000      -0.47218778       0.39409578      -2.38133775
O       -1.49505000       0.39256000       3.12280000      -0.87921122      -0.93191729      -1.08779791
O        2.95592000       1.24831000       1.15724000      -0.03363893       1.56334366       0.80818295
O        2.16687000       4.42562000       1.24728000       1.92260807      -0.27115556       1.03282620
O        1.48943000      -0.04590000       3.19558000       0.61556426      -0.92142575      -0.89278153
O       -0.72624000       4.26442000       0.89547000       0.32978745       1.27166385      -0.45652674
O        1.23114000       3.01070000       3.31916000      -0.10414474      -2.20593341       0.74949454
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.82514024 magmom=19.9983461 free_energy=-108.82514024 stress="-0.043218785152054566 0.024521220151360733 -0.005563871344938802 0.024521220151360733 -0.03036342794448546 -0.014392285170461528 -0.005563871344938802 -0.014392285170461528 -0.08274213050481681" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.32774000       2.88029000       0.06333000       1.51737074      -1.34264560       0.49868404
Cr      -0.43202000       2.66829000       2.17093000      -0.46958843       0.20759371      -0.23887181
Cr       1.50977000      -0.01973000       1.08691000       0.08546950       0.38489329       1.00255517
Cr       3.16619000      -1.40093000       3.30359000      -1.17677004       2.37172631      -0.92669037
Cr       4.44662000      -0.12120000       1.02743000      -0.29685673       2.74310340       0.74900592
Cr       2.65789000       1.56333000       3.26919000       1.13826815      -2.02176065      -0.26244944
O        0.09216000       1.32235000       0.87556000       0.03660759       0.11871657      -0.23006078
O       -1.89338000       3.16344000       3.35649000       0.58089516      -0.63590373       1.21551363
O       -1.25407000       0.40020000       2.91480000      -2.60154360      -0.11295683       0.50181118
O        2.87466000       1.47317000       1.39053000       0.02173803      -0.72187960      -1.75072616
O        2.28031000       4.43626000       1.28376000      -0.95321823       0.01320305       0.51478712
O        1.42746000      -0.06078000       3.22829000       1.83336859      -0.39341280      -1.33695237
O       -0.69937000       4.34246000       0.87573000       1.15034901      -0.08921873       0.47109882
O        1.23966000       2.86449000       3.42385000      -0.86608974      -0.52145842      -0.20770497
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.49150447 magmom=20.0026274 free_energy=-108.49150447 stress="-0.043413789220859415 0.021344957656992923 -0.011108740752385344 0.021344957656992923 -0.03437412532115261 -0.0005047720828657345 -0.011108740752385344 -0.0005047720828657345 -0.11486560316184587" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.38244000       2.79949000       0.07214000      -0.12642795       1.72873237      -2.54195198
Cr      -0.37861000       2.63889000       2.22541000      -0.07423900       0.41289029      -1.89045962
Cr       1.49096000       0.06243000       1.10666000       0.54197561       0.00489146      -0.92822268
Cr       3.06715000      -1.33885000       3.18476000       0.88107936      -1.48885567       1.64726399
Cr       4.38751000      -0.08621000       1.12161000       1.58173649       1.30841899      -2.35004638
Cr       2.72795000       1.54339000       3.27748000       0.45998820      -0.48158985       0.37346431
O        0.09682000       1.40703000       0.74428000      -0.67169631      -0.24582605       1.13541532
O       -1.84842000       3.15484000       3.25408000      -1.40025663       0.41944604       2.42508353
O       -1.41041000       0.36851000       2.94914000      -0.91076803      -0.26707647       1.47144980
O        2.77091000       1.60051000       1.34094000       1.62308210      -3.27435166       1.24614343
O        2.28254000       4.37963000       1.31551000      -1.00768368       0.53409149      -1.31140008
O        1.61190000      -0.11800000       3.08714000      -0.91886068       0.56180917       0.39618557
O       -0.50506000       4.42292000       0.94797000      -1.35779352      -0.52147845      -0.18498397
O        1.06523000       2.56663000       3.49325000       1.37986404       1.30889835       0.51205875
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.02538141 magmom=20.0055265 free_energy=-109.02538141 stress="-0.061355252975115696 0.01596795699541892 -0.003785090264874748 0.01596795699541892 -0.04891064642478149 -0.012078488088496268 -0.003785090264874748 -0.012078488088496268 -0.05573566818457972" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09104000      -0.09063000       4.34669000       0.90649356      -0.01704450       0.28123416
Cr      -0.34750000       2.66204000       2.20246000      -1.59957891       2.77240971       1.25289560
Cr       1.48318000       0.11661000       1.08100000      -0.73959321      -1.59195292      -0.16441315
Cr       3.01346000      -1.35819000       3.15615000       0.52678569      -1.69735721       1.17991457
Cr       4.41093000       0.01106000       1.09192000      -0.42383206      -1.06107821       0.37627662
Cr       2.79853000       1.49289000       3.31489000      -1.81863199       0.75639987       0.72208418
O       -0.03203000       1.45840000       0.86208000       0.53425775      -1.90285902      -1.41334003
O       -1.91283000       3.13220000       3.49035000       0.24499593       0.30095277      -1.04679958
O       -1.62228000       0.25806000       3.25356000       1.14464191      -1.03125182      -2.27847838
O        2.91398000       1.34497000       1.29239000       1.28351755       1.27561858      -0.01314572
O        2.13684000       4.38317000       1.15529000       0.88837972       0.72811264       1.22028804
O        1.60737000      -0.06386000       3.03908000      -1.09039121      -0.23183199       0.72396646
O       -0.53960000       4.40175000       1.00322000      -1.44324892       0.30625361      -0.36098420
O        1.07488000       2.54833000       3.53419000       1.58620417       1.39362849      -0.47949857
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.05144028 magmom=20.002436 free_energy=-109.05144029 stress="-0.08264370146275449 -0.00655239622380589 0.01377965600882147 -0.00655239622380589 -0.08080275922098887 0.0004828236475038196 0.01377965600882147 0.0004828236475038196 -0.0322752449378395" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00856000      -0.06601000       4.28407000      -1.35453734       0.11311947       2.22153098
Cr      -0.38430000       2.81649000       2.21711000      -0.09764949       0.16388041      -0.02949219
Cr       1.45361000       0.08629000       1.05855000       0.64633141      -0.50892934       1.63681509
Cr       3.00151000      -1.46785000       3.19550000       1.01762998       2.02071841      -0.01534016
Cr       4.41516000       0.02485000       1.07300000      -1.44790316      -2.25423902       1.07044504
Cr       2.78382000       1.46585000       3.38313000      -0.41853066      -1.25307140      -1.25379674
O       -0.07805000       1.33348000       0.91883000       1.53929971       1.39135287      -0.30082974
O       -1.91158000       3.09212000       3.50485000       0.24107235      -0.09644506      -0.88848788
O       -1.60775000       0.01937000       3.21975000       0.11628714       1.69336369      -1.37825958
O        3.11740000       1.33874000       1.24169000      -2.41900514       1.67982954       0.65751610
O        2.15992000       4.45576000       1.14887000      -0.08997949      -0.30361234       0.81828697
O        1.41534000      -0.02453000       3.11666000       2.88100274      -0.74975143      -2.08264074
O       -0.78694000       4.37849000       0.99755000       1.16677976       0.06909032      -0.47382980
O        1.28283000       2.78557000       3.42263000      -1.78079782      -1.96530612       0.01808265
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.26174181 magmom=20.0014574 free_energy=-109.26174183 stress="-0.04973475233349255 0.008615837349509775 0.003453396653133837 0.008615837349509775 -0.03519547491701859 0.014287690110326193 0.003453396653133837 0.014287690110326193 -0.06565530071052701" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05080000      -0.02307000       4.31198000      -0.80788190       1.21939069      -0.60936904
Cr      -0.41679000       2.98061000       2.22336000       1.36165832      -1.42622676      -1.19987808
Cr       1.45754000       0.03134000       1.10750000       0.28850328       0.68138433      -1.24751919
Cr       3.05442000      -1.47252000       3.23765000       0.90111488      -0.20226204       0.35869018
Cr       4.34700000      -0.05050000       1.10246000       0.24010778       2.19569355      -1.40194592
Cr       2.74024000       1.39254000       3.37400000       0.33212989       0.72837451      -2.52767387
O        0.05763000       1.39041000       0.94744000      -0.91982914      -0.23953031      -0.72507644
O       -1.88225000       3.00167000       3.35976000      -1.77299226       0.30683110       2.47089834
O       -1.48499000       0.04942000       3.00689000      -0.62855624       0.86023582       1.18428605
O        2.91576000       1.57468000       1.25228000       0.50394607      -3.23895750       1.62511052
O        2.20404000       4.42738000       1.25189000      -0.72839185      -0.58482089      -0.44903479
O        1.56633000      -0.13257000       3.02480000      -0.06478682      -0.56748673       0.98153541
O       -0.80507000       4.35316000       0.94809000       0.63114510       0.78978887      -0.45331828
O        1.16649000       2.71884000       3.30651000       0.66383290      -0.52241460       1.99329512
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.40762285 magmom=19.9977527 free_energy=-109.40762285 stress="-0.02998823867871035 0.012557395170299067 -0.004954843359302127 0.012557395170299067 -0.028849606528973264 0.005837515095763905 -0.004954843359302127 0.005837515095763905 -0.08301647799827888" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04601000       0.05494000       4.34163000       0.86219605      -0.68747579      -0.25701665
Cr      -0.38917000       3.05072000       2.18367000       0.52991356      -1.39779915       0.60398264
Cr       1.47047000       0.00926000       1.10376000      -1.47499866      -0.82995515      -0.16825575
Cr       3.17407000      -1.45694000       3.29330000      -0.48555789      -0.81250700      -0.08048616
Cr       4.28755000      -0.02494000       1.06964000       1.36384498       0.57363847      -0.50483974
Cr       2.71281000       1.35559000       3.23960000      -0.13943885       1.16185823       1.85791625
O        0.01806000       1.45521000       0.89834000      -0.62695025      -0.69907074       0.09272572
O       -1.99190000       2.95723000       3.49825000       1.14549351       0.54475487      -0.73823268
O       -1.42381000       0.22969000       3.02635000      -1.11499395      -0.85699651       0.06571176
O        2.74098000       1.39926000       1.36164000       1.67844939       0.06398111      -1.81325714
O        2.17366000       4.29476000       1.25955000      -0.17261585       1.23364450       0.92841965
O        1.66882000      -0.29034000       3.09788000      -1.54451719       0.38902972       0.15189761
O       -0.67231000       4.40967000       0.88350000      -1.14740501       0.56382684      -0.16999913
O        1.00169000       2.50424000       3.47947000       1.12658015       0.75307060       0.03143362
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.03090614 magmom=19.9998927 free_energy=-109.03090614 stress="-0.05672978556172926 0.01896001152783767 0.005825245543365752 0.01896001152783767 -0.03611226126312478 -0.010770108261462406 0.005825245543365752 -0.010770108261462406 -0.0639001339370936" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.61121000       2.99850000       0.00279000      -0.20958688      -0.24684466       0.93581342
Cr      -0.31997000       3.03017000       2.16444000       0.55444875      -0.15886701       0.39946972
Cr       1.40395000      -0.05310000       1.08655000       0.57151853       0.03391490       1.18332249
Cr       3.26054000      -1.47613000       3.34662000      -2.48572314       1.11244126      -1.22494409
Cr       4.31048000       0.04244000       1.01449000      -0.03557770      -1.60400229       2.14612776
Cr       2.68077000       1.39181000       3.18290000      -0.12010522      -0.21858739       1.34243820
O       -0.16395000       1.41983000       0.89958000       1.57672666      -0.28491983       0.47253290
O       -1.88444000       2.99191000       3.48720000      -0.06661153      -0.24876260      -0.68247163
O       -1.52285000       0.23599000       3.16470000      -0.50087075      -0.82713147      -1.03071046
O        2.84859000       1.22574000       1.18762000      -0.75565694       1.91589305       0.52102943
O        2.14045000       4.30372000       1.34156000      -0.01492662       0.82483744       0.62595033
O        1.49025000      -0.34082000       3.23778000       1.85128876       0.24676424      -2.39986588
O       -0.71384000       4.46651000       0.87501000      -1.05731128      -1.02331009      -0.15821517
O        0.99319000       2.45697000       3.55722000       0.69238737       0.47857445      -2.13047702
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.20053951 magmom=20.0044885 free_energy=-108.20054002 stress="-0.060790521023435976 0.025189499382314295 -0.013614946508898653 0.025189499382314295 -0.05707871956360032 0.006915258165774378 -0.013614946508898653 0.006915258165774378 -0.032486950049246406" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63465000       3.05110000       0.06199000      -0.10676981       0.67815035      -0.49026258
Cr      -0.21486000       2.97867000       2.15386000      -1.41412611       0.46333120      -1.75952854
Cr       1.33637000      -0.14478000       1.12516000       1.19649332       1.61729603      -0.90531376
Cr       3.22010000      -1.45134000       3.34836000      -2.12314929      -1.71975377      -0.03251995
Cr       4.32937000       0.04176000       1.06264000      -1.97314803      -0.69659752       0.44959725
Cr       2.64491000       1.43302000       3.21336000       1.23269497      -1.28157178      -0.96472873
O       -0.09009000       1.33708000       1.01949000       1.28127699      -0.52806550      -1.18550251
O       -1.74787000       3.00144000       3.28691000      -2.82966549      -0.39043304       2.17865654
O       -1.65801000       0.09089000       3.20238000       1.53772176       2.31442603      -0.73121303
O        2.90560000       1.40636000       0.99909000      -0.73254890      -1.61402194       2.49728269
O        2.14324000       4.41942000       1.44235000       0.24097091      -0.59264247      -1.70481044
O        1.43657000      -0.25982000       3.06857000       0.65674630       0.32487257       0.33070501
O       -0.92794000       4.29872000       0.91757000       0.86880706       0.70700942      -1.05279362
O        1.11436000       2.54786000       3.26973000       2.16469631       0.71800041       3.37043166
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.9523906 magmom=19.9998729 free_energy=-107.95239061 stress="-0.06728187491350017 0.004975458639522298 0.005258828652606938 0.004975458639522298 -0.10930936765420564 -0.014112828046829031 0.005258828652606938 -0.014112828046829031 -0.042013218746376056" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.65533000       3.11019000       0.10715000       0.72132543      -1.92085183      -2.79771596
Cr      -0.16997000       2.91321000       2.09001000      -0.59450909      -0.52852740       1.04934039
Cr       1.34210000      -0.16977000       1.11330000       1.23320873       0.72923533      -2.06929273
Cr       3.07839000      -1.46688000       3.33150000       3.20310461       3.41461431      -0.22607759
Cr       4.25844000       0.00074000       1.15727000       1.84749037       1.43811852      -0.83162616
Cr       2.68447000       1.41016000       3.20104000       0.69829912       0.45870568      -0.28046579
O        0.17575000       1.23988000       0.98909000      -3.18535041       1.33201947      -0.52574103
O       -1.98053000       2.94956000       3.33238000       1.36860899       0.55092020       0.89235861
O       -1.55724000       0.20338000       3.14695000      -0.09057528      -0.63658505      -0.15110904
O        2.79802000       1.47263000       1.19258000       0.71088611      -2.02989804       0.49711348
O        2.18858000       4.42986000       1.24826000      -1.68858016       0.95609798       2.39553054
O        1.47076000      -0.08472000       2.99421000      -0.15153721      -1.79384951       1.30868118
O       -0.99220000       4.14955000       0.85051000       0.63194204       1.36592684      -0.34325582
O        1.40343000       2.84176000       3.33863000      -4.70431325      -3.33592649       1.08225993
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.97253162 magmom=20.0107938 free_energy=-108.97253162 stress="-0.03252005382152185 0.026051815504060064 0.00850684313642932 0.026051815504060064 -0.044827525996564595 -0.015523327183229862 0.00850684313642932 -0.015523327183229862 -0.11422355452835228" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.69805000       3.08416000       0.03851000      -0.46080363      -0.14561999       0.88867535
Cr      -0.18289000       2.83130000       2.06492000      -1.08275415       1.31180875       0.97914531
Cr       1.38708000      -0.12275000       1.00982000      -1.36743326       1.56665807       1.92386018
Cr       3.05908000      -1.38276000       3.31016000      -0.21418797      -1.51552428       0.40155167
Cr       4.27820000       0.02750000       1.19283000       1.07783920      -0.74051095      -1.82661322
Cr       2.75905000       1.40779000       3.19652000      -1.90378068       0.52302921       2.44633501
O       -0.05556000       1.32880000       0.89772000       0.15852526      -0.81059474       0.01403078
O       -2.00997000       2.97898000       3.50164000       0.96649881       0.83026484      -1.78230819
O       -1.43619000       0.23411000       3.11807000      -0.91815084      -0.84825627       0.56481048
O        2.79934000       1.28502000       1.36242000      -0.06602577       0.83360747      -2.60437923
O        2.07386000       4.44750000       1.30144000       0.96760879      -1.16938994       0.69272364
O        1.49575000      -0.17455000       3.15832000       1.07972768      -0.63064169      -2.11924510
O       -0.88155000       4.18602000       0.79571000       0.43742244       1.03869388       0.91136112
O        1.03412000       2.76143000       3.56670000       1.32551412      -0.24352436      -0.48994780
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.80793688 magmom=20.0039505 free_energy=-108.80793689 stress="-0.03404831976811729 0.0010665872899497998 -0.003646533374755384 0.0010665872899497998 -0.03138186469410252 -0.016512090812304033 -0.003646533374755384 -0.016512090812304033 -0.08379549699268712" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.72006000       3.03693000       0.00018000      -0.00484024      -0.06662942       0.94668389
Cr      -0.24920000       2.82476000       2.09496000      -1.17013270       1.89410916       0.63298454
Cr       1.38673000      -0.01863000       1.00584000       1.03012929      -0.07686372       1.29509528
Cr       3.07323000      -1.37498000       3.31024000       0.37477277      -1.95781262      -0.46874879
Cr       4.33414000       0.01402000       1.14365000      -1.97545267      -2.00994653       0.51756412
Cr       2.74349000       1.44286000       3.27971000      -0.74436121      -0.22486360      -0.92033622
O       -0.24465000       1.38581000       0.87160000       2.32728131      -0.67039919      -0.20401847
O       -1.88787000       3.08477000       3.40599000      -1.16685642      -0.47700338       0.01134630
O       -1.46937000       0.12388000       3.18072000      -1.03369785       0.65456965      -0.68463870
O        2.81603000       1.28537000       1.17675000       0.20732526       0.94791226       1.07002007
O        2.11017000       4.29795000       1.39625000       0.28823195       0.59879561      -0.93972153
O        1.54750000      -0.28385000       3.07793000      -0.44108119       1.64418776      -0.54181219
O       -0.69475000       4.34020000       0.91402000      -0.79220730       0.36926647      -0.68092417
O        0.81059000       2.55407000       3.60783000       3.10088900      -0.62532244      -0.03349412
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.17431376 magmom=20.0043098 free_energy=-109.17431376 stress="-0.05859065603087348 0.015393586212539497 0.014538932285985335 0.015393586212539497 -0.046063323557392406 -0.012756678118168184 0.014538932285985335 -0.012756678118168184 -0.05306463557528901" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.72138000       2.98521000       0.00504000      -0.34212315       0.18542425      -1.26782328
Cr      -0.36694000       2.90586000       2.16755000       0.76139587      -0.22639329      -0.29490679
Cr       1.43775000       0.07833000       1.07249000       0.46285566      -0.34746875      -0.99767473
Cr       3.09906000      -1.46692000       3.28288000      -1.19312467       0.22096875      -0.31893987
Cr       4.29307000      -0.08083000       1.11695000       0.73158168       0.98884125       0.03519336
Cr       2.69437000       1.46215000       3.30705000       1.40000672      -1.40355816      -1.21968093
O       -0.05219000       1.36274000       0.89324000      -0.28665861      -0.27161240       0.04779265
O       -1.94680000       3.06927000       3.29280000      -0.21534667      -0.25001559       1.79053131
O       -1.61066000       0.11519000       3.15934000       0.29843181       0.45821736      -0.65058227
O        2.85842000       1.45319000       1.14543000       0.43164618      -1.82718337       1.37655649
O        2.23765000       4.23475000       1.30333000      -1.28338526       2.03148568       1.23442815
O        1.51502000      -0.11042000       2.98671000       1.09516704      -1.27748910       0.47706373
O       -0.63728000       4.46254000       0.96501000      -0.83820131      -0.63686767      -0.43680669
O        1.04519000       2.33474000       3.50377000      -1.02224529       2.35565103       0.22484888
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.50187075 magmom=20.0030656 free_energy=-109.50187075 stress="-0.07206840493799323 0.017776013006468156 0.009147005685729202 0.017776013006468156 -0.05453163685934619 0.004343844386223115 0.009147005685729202 0.004343844386223115 -0.04647842668732568" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14428000       0.05396000       4.32731000      -1.28023625       0.47480262       0.07504890
Cr      -0.46123000       2.97482000       2.22589000       1.00099630      -1.20354486      -0.67733680
Cr       1.50905000       0.14455000       1.09344000      -1.18406227      -2.26678821      -0.38695743
Cr       3.07160000      -1.54254000       3.24199000      -0.74361148       1.32134639       1.00708299
Cr       4.29814000      -0.11626000       1.09304000       2.16603861       2.41280112      -0.39224126
Cr       2.72481000       1.40421000       3.26994000       0.01450068       0.27911138       0.70764455
O        0.08125000       1.35937000       0.95776000      -1.76631528       0.73444843      -0.57979365
O       -1.98637000       2.98574000       3.45194000       0.76127937       0.67304616       0.22765889
O       -1.64113000       0.14900000       3.05840000       1.54603133      -1.01265570       0.69233504
O        2.95623000       1.42504000       1.27747000       0.11316847      -0.05065895      -0.51064488
O        2.18112000       4.40280000       1.28276000      -0.86134480      -1.07790279      -0.37502943
O        1.58510000      -0.12689000       3.05027000      -0.02250607      -1.26120752       0.01018227
O       -0.71324000       4.41953000       0.96796000      -0.13379285       0.24420994      -0.80720284
O        1.10125000       2.57231000       3.39344000       0.38985423       0.73299199       1.00925366
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.39963397 magmom=20.0030716 free_energy=-108.3996868 stress="-0.06862844525536595 0.007095100828723814 0.009433261622837433 0.007095100828723814 -0.054992227196528576 0.008998972899005867 0.009433261622837433 0.008998972899005867 -0.07225979009866726" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03677000       0.02216000       4.28815000       0.48615254       0.10520375       1.58535829
Cr      -0.51026000       2.97777000       2.24452000       0.61677573      -0.73144129      -0.74515789
Cr       1.51084000       0.10754000       1.10037000      -1.48011707      -0.84348266       1.44609880
Cr       3.02391000      -1.52708000       3.24320000       3.46047225       2.05570775      -0.12465278
Cr       4.41820000      -0.02267000       1.05291000      -1.21960778       0.41796949       0.51614486
Cr       2.80945000       1.31986000       3.26270000       0.18740741       0.66003733       1.31613594
O       -0.07611000       1.47250000       0.96764000       1.07357918      -0.90775708      -0.60783405
O       -1.87031000       2.98163000       3.60320000      -1.37095578       0.29012153      -1.62467968
O       -1.40083000       0.01437000       3.07010000      -1.65164838       0.24380367      -0.86157798
O        3.02488000       1.37320000       1.31671000      -0.83723736       0.49195753      -0.17441775
O        2.04810000       4.41621000       1.17631000       1.54458344      -0.52120477       0.39891475
O        1.61128000      -0.30529000       3.18100000      -0.60688127       2.36049987      -1.37266041
O       -0.80290000       4.33813000       0.88970000       0.43490543       0.80891368      -0.72547548
O        1.02280000       3.02990000       3.42954000      -0.63742833      -4.43032878       0.97380338
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.24924695 magmom=20.0034291 free_energy=-108.25018685 stress="-0.04204438921119976 -0.011370168927383217 0.00865528846193984 -0.011370168927383217 -0.044049510424612484 -0.003217929823133767 0.00865528846193984 -0.003217929823133767 -0.09550550102497166" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.05010000      -0.00731000       4.33487000       1.52518914      -0.88876460       0.58111031
Cr      -0.51362000       2.93744000       2.21443000       0.96157757       0.16975017      -0.52773928
Cr       1.43870000       0.01006000       1.16035000       0.50279982       0.09394022      -1.26004849
Cr       3.09969000      -1.42555000       3.24498000      -1.54661564      -2.24489164      -0.67059613
Cr       4.47000000       0.10040000       1.04104000      -3.16938954      -2.15766672      -0.03001585
Cr       2.90284000       1.28205000       3.31741000      -0.99274697       1.73299608      -1.29052310
O       -0.10141000       1.49789000       0.90844000       1.90472124      -0.04332290      -0.41190756
O       -1.92716000       3.01793000       3.46297000      -1.05661981       0.05226605       1.10824488
O       -1.34918000      -0.10699000       2.99435000      -1.16774857       1.92005943      -0.29428912
O        2.91010000       1.40497000       1.28349000       0.22969316      -0.63431047       0.77429376
O        2.19558000       4.31947000       1.12159000      -0.63799588       1.88840333       2.25872308
O        1.51723000      -0.10364000       3.12045000       0.80670596      -0.73882169      -0.51145235
O       -0.77528000       4.34450000       0.80297000       0.61756044       0.74424174       1.52019524
O        0.89660000       2.88312000       3.54599000       2.02286908       0.10612099      -1.24599540
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.16486122 magmom=20.005743 free_energy=-108.16486136 stress="-0.04632216480786137 -0.02361912802166886 -0.006279735236041712 -0.02361912802166886 -0.07009504149668841 0.0016544885286594742 -0.006279735236041712 0.0016544885286594742 -0.09835657938343574" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48811000       2.81845000       0.08582000       0.07833151       0.44784338      -0.73174370
Cr      -0.45575000       2.89223000       2.16266000       0.12677378      -0.62868732       0.39132393
Cr       1.39466000      -0.08175000       1.16357000       2.33839650       2.99560783      -0.99072028
Cr       3.11913000      -1.42167000       3.20978000      -1.67910973      -0.59239782       1.11965661
Cr       4.34917000       0.13273000       1.01133000       0.23284194      -1.23245869      -0.75594353
Cr       2.93561000       1.34193000       3.32416000      -3.71292523       1.00729304      -0.72075405
O        0.12195000       1.49716000       0.83338000      -1.12630289      -0.56804436       0.23205318
O       -2.06877000       3.03455000       3.36900000       2.55884960       0.15993525       0.64215001
O       -1.47254000       0.07922000       2.93009000       0.96713174       0.85448082       1.76057961
O        2.78213000       1.36270000       1.31114000       1.52246143      -0.25287172       0.03706050
O        2.32143000       4.41202000       1.34960000      -1.32285976      -0.03538981      -2.05874288
O        1.47864000       0.07184000       3.03007000       0.47777518      -2.15344685       1.82256011
O       -0.62196000       4.42591000       0.97841000      -2.10232490      -0.86123075      -1.30531646
O        1.02369000       2.69463000       3.43054000       1.64096084       0.85936699       0.55783695
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.94255174 magmom=19.9964786 free_energy=-108.94255176 stress="-0.0591081473793529 0.026485394768032307 0.0032435225633271206 0.026485394768032307 -0.07491534900819345 0.002935583673447646 0.0032435225633271206 0.002935583673447646 -0.027266232663030007" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.50191000       2.78594000       0.15127000      -0.75377508       1.03794037      -1.53394438
Cr      -0.36821000       2.81799000       2.13113000       0.35590672      -0.53440442      -0.08941062
Cr       1.44976000      -0.03551000       1.12390000      -1.30546333       0.34854707       0.16372568
Cr       3.06630000      -1.46038000       3.22206000       2.17762350       2.18187629       0.61137333
Cr       4.23220000       0.08988000       0.95197000       4.12386510      -1.04776661       1.44138113
Cr       2.78253000       1.46241000       3.28718000       0.24682448      -0.78822664       0.99887009
O        0.13312000       1.42576000       0.84378000      -1.07076111      -0.64384036      -0.36267508
O       -1.81231000       3.05895000       3.35291000      -1.25626594       0.46772372       1.52830484
O       -1.43647000       0.37699000       3.17956000      -0.49380515      -1.39188789      -1.27181731
O        2.85695000       1.31850000       1.29821000       0.03866230       0.59437338       0.51667357
O        2.22427000       4.48866000       1.27693000      -0.44186115      -1.00285311      -0.20286663
O        1.51180000      -0.11177000       3.23011000       0.85128556      -0.60668429      -0.93132533
O       -0.70777000       4.37679000       1.03233000      -0.41745936       1.30538617      -1.61281659
O        1.33590000       2.71433000       3.31022000      -2.05477652       0.07981633       0.74452731
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.91968786 magmom=19.9997833 free_energy=-108.91968813 stress="-0.044354654784886496 0.05125703155560613 -0.005499620238872481 0.05125703155560613 -0.05492575762094156 -0.0053773239405391785 -0.005499620238872481 -0.0053773239405391785 -0.03777105397392652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48997000       2.81505000       0.11742000       0.34084295      -0.02391291      -1.16076870
Cr      -0.29600000       2.75370000       2.10561000      -1.45428459       1.36256590       0.37080233
Cr       1.44874000       0.02877000       1.10121000      -0.43212805      -0.90525624       0.18816914
Cr       3.12040000      -1.39973000       3.26425000       1.88470994       0.18169000      -0.73321230
Cr       4.31036000       0.00216000       0.97446000      -0.21764799      -0.01857609       1.29398000
Cr       2.67036000       1.50610000       3.29737000       2.17391654      -1.37626680       0.02151145
O       -0.04912000       1.31631000       0.87693000       0.78530465      -0.16659013      -0.46764932
O       -1.69527000       3.13047000       3.47886000      -1.72678549       0.10855195       0.07888808
O       -1.45614000       0.35681000       3.25771000      -1.71668986      -1.09631256      -2.09874491
O        2.91999000       1.39740000       1.31465000      -0.16664062      -0.82445925       0.85410937
O        2.10736000       4.39805000       1.13132000       0.74216557       1.16031888       1.94530897
O        1.59843000      -0.31063000       3.30434000      -0.81470265       2.00538180      -1.55805562
O       -0.82078000       4.42390000       0.88726000       0.86792240      -0.05129147       0.42603456
O        1.24317000       2.78726000       3.29636000      -0.26598277      -0.35584308       0.83962695
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.30449576 magmom=20.0021761 free_energy=-109.30449576 stress="-0.049787054838042986 -0.008758959622686812 -0.00028230631013337034 -0.008758959622686812 -0.06683427113455981 -0.0002324183583543151 -0.00028230631013337034 -0.0002324183583543151 -0.06976225985259366" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48786000       2.85755000       0.02029000       0.34102098      -0.16403981       0.21647272
Cr      -0.31286000       2.77287000       2.10273000      -1.48718831       1.31363600       0.52817482
Cr       1.41973000       0.03424000       1.09476000       1.21451434      -0.29238530       1.10456072
Cr       3.23332000      -1.33693000       3.26980000      -4.58274505      -3.78193115       0.28393876
Cr       4.37424000      -0.07951000       1.06373000      -1.95766491       1.32557700      -0.45437066
Cr       2.68684000       1.46709000       3.30822000      -0.11903526       0.77180644      -1.00737427
O       -0.09409000       1.28943000       0.90176000       1.04331958       0.62820184      -0.27806306
O       -1.85685000       3.16469000       3.52609000       0.41300609      -0.94567135      -1.20428028
O       -1.61097000       0.13447000       3.08222000       2.43811746       2.87480480      -0.03456877
O        2.89185000       1.41943000       1.36520000       0.02548137      -0.32149014      -0.80378147
O        2.16963000       4.40632000       1.26373000      -0.02809631       0.03841820       0.13796748
O        1.53514000      -0.14690000       3.14050000       0.22931336       0.02737189      -0.43230857
O       -0.71920000       4.42476000       0.86560000       0.23177178      -0.92609339       0.92198249
O        1.05995000       2.77737000       3.40491000       2.23818489      -0.54820502       1.02165009
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.05197723 magmom=20.002271 free_energy=-109.05197723 stress="-0.04327687694342869 -0.01932736796804469 -0.0034681532347073433 -0.01932736796804469 -0.04937624727696938 -0.00042121893506536434 -0.0034681532347073433 -0.00042121893506536434 -0.11201732644830764" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03332000       0.00843000       4.28599000       0.23226316      -0.00461588       0.94943737
Cr      -0.40087000       2.85975000       2.15278000       0.64350359      -1.54145501       1.75442990
Cr       1.45303000       0.01815000       1.12551000       0.13986488      -0.10635884      -1.92582457
Cr       3.14366000      -1.43809000       3.29375000      -1.09764941       0.26606529       0.80582260
Cr       4.34413000      -0.08220000       1.12772000       1.44071328       1.59498495      -0.80547995
Cr       2.71382000       1.46172000       3.26558000       0.37689636      -0.11570879      -0.03310244
O        0.02761000       1.42411000       0.91883000      -0.02423487      -0.97741164      -0.61706439
O       -1.96289000       3.00935000       3.35135000       0.73277253       0.81819630       1.20934932
O       -1.44212000       0.21724000       2.99306000      -1.57865120       0.00865957       1.31984376
O        2.83072000       1.40754000       1.23255000       1.03564479      -0.37185385       0.19620476
O        2.25433000       4.38844000       1.38474000      -1.07122813      -0.50765654      -1.13400992
O        1.43088000       0.07016000       2.97445000       0.76055155      -1.92193177       1.91679558
O       -0.54942000       4.27659000       0.99616000      -1.40112751       2.28057656      -2.07769357
O        1.19029000       2.68907000       3.58972000      -0.18931903       0.57850965      -1.55870846
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.8609848 magmom=20.0009665 free_energy=-108.86098487 stress="-0.07743019360003883 -0.0034204554659296154 0.01527214229838299 -0.0034204554659296154 -0.04348153429252686 -0.0022346878949040276 0.01527214229838299 -0.0022346878949040276 -0.04720298608042203" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01081000       0.04260000       4.25378000      -0.49865767      -0.06648095       1.93347448
Cr      -0.44937000       2.89765000       2.26079000       2.31963250      -0.54813457      -2.12112229
Cr       1.50299000      -0.00331000       1.08096000      -0.35797505      -0.28305778      -0.47481473
Cr       2.96495000      -1.54743000       3.34920000       2.32314588       3.32371487      -1.53447389
Cr       4.37629000       0.00045000       1.14368000       0.76791128      -0.49047283       0.06995492
Cr       2.75363000       1.45037000       3.21350000      -0.27079424      -0.62343754       0.39043204
O        0.11192000       1.45703000       0.90970000      -0.78625393      -0.88214016       0.28407092
O       -1.90154000       2.96035000       3.35365000      -1.86741556       1.66630499       2.24939630
O       -1.45122000       0.33551000       3.13187000      -1.74837774      -0.96563597      -1.71917986
O        2.90866000       1.37586000       1.06598000       0.74946368      -0.53087661       1.60749254
O        2.20805000       4.28919000       1.29291000      -0.07635270       1.31850605       0.82387799
O        1.45968000      -0.04492000       3.10260000       2.24199745      -1.28850924      -1.55584022
O       -0.60191000       4.37549000       0.91563000      -0.89929637       0.33947457       0.03554493
O        1.24447000       2.69320000       3.50420000      -1.89702754      -0.96925481       0.01118687
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.06927922 magmom=20.0060175 free_energy=-108.06927922 stress="-0.10651210308810419 0.08179606292380122 -0.009387773572984596 0.08179606292380122 -0.06833483049785868 0.008190825929944814 -0.009387773572984596 0.008190825929944814 -0.052669735423966066" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04704000       0.07447000       4.31497000       0.19271166      -0.45620736      -0.33637717
Cr      -0.40773000       2.90429000       2.27876000      -2.34005666       0.74895803      -2.52685599
Cr       1.53212000      -0.04005000       1.00687000      -0.55475127       0.48146022       2.41575213
Cr       2.89928000      -1.52185000       3.33424000       4.85914527      -1.58108577      -0.70184211
Cr       4.45648000       0.06541000       1.15575000      -1.99377822      -1.65565151      -0.24045603
Cr       2.76382000       1.41726000       3.18436000      -1.66739001       1.22297975       0.61538372
O        0.02280000       1.36761000       0.99248000       0.31540052       0.68321549      -0.10446362
O       -1.96598000       3.16542000       3.58106000       0.29154093      -1.02479554      -3.17566702
O       -1.63946000       0.20479000       3.10986000       1.74292543      -1.10449353       0.37989339
O        3.05790000       1.34182000       1.12464000      -1.63983214       0.97252452       1.06911006
O        2.16663000       4.35388000       1.22754000       0.43114615       0.14711870       0.87131586
O        1.68251000      -0.32409000       3.12348000      -4.49036617       4.14241911      -1.04070084
O       -0.78361000       4.51680000       0.85256000       1.60677403      -2.16946191       0.32601032
O        1.00928000       2.62304000       3.35253000       3.24653048      -0.40698020       2.44889730
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.965442 magmom=19.9986707 free_energy=-108.96544201 stress="-0.03943191707444493 0.010114380493149685 0.017215292890884755 0.010114380493149685 -0.043932611783371246 -0.0010607070206475953 0.017215292890884755 -0.0010607070206475953 -0.06551518055330746" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62932000       2.97120000       0.02637000      -0.59713184       0.13825246       0.11155355
Cr      -0.42950000       2.93506000       2.17576000       1.03345005      -0.43424943       0.74453753
Cr       1.51987000      -0.04632000       1.03258000      -1.47195777       1.28694201       0.02329517
Cr       3.04190000      -1.49271000       3.25824000      -1.52096944       0.10544644       0.63065395
Cr       4.44033000       0.03427000       1.16351000      -1.27787262      -1.38868331      -0.14378029
Cr       2.68912000       1.43472000       3.20381000       0.17478579      -0.71222057       1.90030347
O       -0.05545000       1.39624000       1.07475000       1.22634777      -0.79280169      -2.13090608
O       -1.95061000       3.15015000       3.35643000      -0.18309462      -1.62082171       1.36354083
O       -1.52403000      -0.10102000       3.14495000      -0.14954254       2.78425295      -0.21523785
O        2.92285000       1.45429000       1.34221000       0.23233471      -1.13790955      -1.50057100
O        2.21800000       4.42943000       1.25416000      -0.13800726      -0.26597691       0.56049236
O        1.36809000      -0.10328000       2.99778000       2.39969193      -1.21087062      -0.34621107
O       -0.71556000       4.31130000       0.90813000       0.13209495       1.50323663      -1.21051371
O        1.10594000       2.53950000       3.46917000       0.13987088       1.74540331       0.21284314
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.66314522 magmom=19.998477 free_energy=-108.66315547 stress="-0.044677767076801926 -0.03775475727501017 0.01255415465990053 -0.03775475727501017 -0.06076420745759518 0.00464783515333143 0.01255415465990053 0.00464783515333143 -0.1054486709371911" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63647000       2.97165000       0.08252000      -0.24974632      -0.35370422      -0.47605710
Cr      -0.41419000       2.92112000       2.09908000       1.67297002      -1.66132705       1.05365335
Cr       1.44427000       0.00885000       1.06413000       0.15161481       0.06878383      -1.47522803
Cr       3.13894000      -1.46662000       3.22606000      -0.39376326      -0.45198870       1.88325100
Cr       4.36350000      -0.04540000       1.16628000       1.27673324       1.74393584      -0.30460377
Cr       2.62845000       1.41816000       3.29065000       1.04572380      -0.42101461      -1.24760065
O        0.01057000       1.38247000       0.88681000      -0.26353587      -0.51178225      -0.22886477
O       -1.90749000       2.87371000       3.27872000      -0.63001307       1.59163515       1.86423035
O       -1.41159000       0.02269000       3.17652000      -1.67039452       0.98615594      -1.05810067
O        2.76839000       1.44000000       1.30732000       1.24537117      -1.18287390      -0.01709869
O        2.25417000       4.39846000       1.30879000      -1.15656068       0.30188402       0.04461543
O        1.31355000       0.01119000       2.94791000       1.56519632      -1.55785078       1.07141160
O       -0.57683000       4.28292000       0.84417000      -1.30979835       1.53816174       0.16877672
O        1.22268000       2.75765000       3.57493000      -1.28379729      -0.09001501      -1.27838479
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.15178975 magmom=20.0042284 free_energy=-109.15178975 stress="-0.041777381064628256 -0.02561083911554728 -0.0003829840056545157 -0.02561083911554728 -0.06513081096383454 -0.008876880679296454 -0.0003829840056545157 -0.008876880679296454 -0.07781585597457247" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.61394000       2.94122000       0.09159000      -0.37220826      -0.13332076      -0.76386226
Cr      -0.33302000       2.82159000       2.09026000      -0.68201150       0.29825035       0.42900859
Cr       1.38802000       0.06048000       1.03408000       1.89831988      -1.81484308       1.30121100
Cr       3.19038000      -1.46361000       3.27812000      -1.11864242       0.82584502      -1.68436705
Cr       4.35054000      -0.02975000       1.13457000      -0.68251235       1.01477242      -1.11428902
Cr       2.63409000       1.39161000       3.30788000       0.86682330       1.29420424      -1.30309113
O       -0.00327000       1.33613000       0.77811000      -0.35467252       0.92807637       2.12296486
O       -1.88211000       2.86129000       3.46336000      -0.06331480       1.69672023      -1.13125447
O       -1.51283000       0.29055000       3.10350000      -0.04012996      -1.25026810       0.13566476
O        2.81026000       1.31587000       1.19282000       1.02344316       0.58499482       1.14664572
O        2.16650000       4.37812000       1.32298000       0.16790852       0.66457110       0.04607269
O        1.50891000      -0.13068000       3.12024000       0.09011072      -0.71392057      -0.55366804
O       -0.65795000       4.45200000       0.87950000      -1.53440725      -1.10006591       0.69975441
O        1.09273000       2.94598000       3.43937000       0.80129350      -2.29501613       0.66920994
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.01294327 magmom=20.0005512 free_energy=-109.01294327 stress="-0.060462660778079436 0.05357642567967248 -0.004587257943091314 0.05357642567967248 -0.06442198218350136 -0.018559965676663057 -0.004587257943091314 -0.018559965676663057 -0.027953552759768244" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.57519000       2.89972000       0.05214000      -0.13057613       0.22436825      -0.66104003
Cr      -0.29657000       2.75413000       2.12125000      -2.27297726       3.24133729       1.50849728
Cr       1.42191000       0.01877000       1.05971000      -0.19588143      -0.75981455       1.22241221
Cr       3.17518000      -1.42539000       3.26944000      -0.62881173      -0.14580729      -0.21587397
Cr       4.31154000       0.04498000       1.04728000      -0.22938570      -0.81014919       0.36290956
Cr       2.68511000       1.43256000       3.25715000      -0.16202301       0.66947722       0.79126120
O       -0.07102000       1.39329000       0.98156000       1.53455221      -2.40126370      -2.70989969
O       -1.85843000       3.12948000       3.46384000      -0.13130627      -1.12879280      -0.05851159
O       -1.58424000       0.28188000       3.08549000       1.01322867      -0.90912767       0.26719632
O        2.94281000       1.35766000       1.22085000      -1.58558304       0.69014159       0.81201703
O        2.14180000       4.41629000       1.26363000       0.09899105       0.12592069       0.05555666
O        1.65788000      -0.31215000       3.27392000      -1.37838891       1.96814720      -1.32846637
O       -0.90012000       4.42391000       1.07252000       1.73573001      -0.12932957      -1.53583081
O        1.10126000       2.74841000       3.35899000       2.33243154      -0.63510746       1.48977221
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.76246086 magmom=20.00097 free_energy=-108.76246104 stress="-0.07467836661494742 0.04286271048925295 0.006501755477369652 0.04286271048925295 -0.04187368686387463 -0.0012887233299965527 0.006501755477369652 -0.0012887233299965527 -0.0349043792076285" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01155000      -0.01689000       4.33823000      -0.02085897       0.46475389       0.41396888
Cr      -0.36652000       2.82968000       2.21942000       0.83080227      -0.62083612      -0.61066426
Cr       1.45261000      -0.07538000       1.15543000      -1.49766599       1.06220159      -0.38755909
Cr       3.11518000      -1.39080000       3.23738000       0.21555551      -1.48628293       0.63626500
Cr       4.26310000       0.07672000       0.98551000       1.84609306      -1.08483124       1.50135490
Cr       2.76672000       1.49416000       3.25056000       2.21891744      -2.09773058       1.53785799
O        0.03765000       1.25531000       0.92531000      -0.83537415       1.31143171      -0.20186423
O       -1.84712000       3.18906000       3.39021000      -0.52376434      -1.30989934       1.38402124
O       -1.48028000       0.09181000       3.13179000      -1.34560621       1.70472892      -1.74356441
O        2.83453000       1.53080000       1.32814000       0.71435402      -1.91775063      -0.20442163
O        2.17734000       4.43980000       1.16828000      -0.16390390      -0.22540097       1.01219176
O        1.55952000      -0.15662000       3.22260000       0.92533379      -0.42205476      -1.59986540
O       -0.81935000       4.32327000       1.04841000       0.90421653       1.11513506      -1.24652315
O        1.32006000       2.51754000       3.43676000      -3.26809906       3.50653541      -0.49119758
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.73412186 magmom=19.9984276 free_energy=-108.73412187 stress="-0.059413163926003036 -0.03814737714090604 -0.002603162975825643 -0.03814737714090604 -0.051120072036192836 0.002442730619827554 -0.002603162975825643 0.002442730619827554 -0.11198486915906446" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.05134000      -0.03007000       4.28177000       0.22450851      -0.34320752       0.73087856
Cr      -0.41439000       2.91130000       2.28573000       0.45227831      -0.96611982      -2.02973983
Cr       1.40835000      -0.10812000       1.21880000       1.41992597       3.13104202      -3.18155928
Cr       3.06832000      -1.43384000       3.23790000       0.41370809      -0.00830855      -0.11650901
Cr       4.31235000       0.04398000       1.00223000       0.20449701      -0.00549691       0.31311749
Cr       2.91633000       1.46606000       3.31473000      -3.24078620      -1.33875979      -1.82177869
O        0.00488000       1.32990000       0.84983000      -0.48410588       0.54338179       0.69410579
O       -1.86476000       2.97681000       3.48854000      -0.06941168       1.95644442       0.78560098
O       -1.51564000       0.13455000       2.99249000       0.10924878      -0.02725888       0.09637548
O        2.79721000       1.45831000       1.32904000       1.17024489      -0.68286944      -0.58001687
O        2.21668000       4.38829000       1.20332000      -0.14805035       0.05969357       0.69558680
O        1.49631000      -0.00539000       3.01745000       0.92872300      -1.24365973       2.96727925
O       -0.52635000       4.31073000       0.86459000      -2.47573074      -0.42530840       0.45364015
O        1.10883000       2.81929000       3.40375000       1.49495030      -0.64957275       0.99301918
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.48574533 magmom=20.0026815 free_energy=-108.48575242 stress="-0.058216135505352144 -0.03060145964152119 -0.001750367227677874 -0.03060145964152119 -0.04707113870650733 0.00535404464066937 -0.001750367227677874 0.00535404464066937 -0.10637313065703176" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07270000      -0.05676000       4.27897000       0.25780901      -0.34226040       1.05239137
Cr      -0.43286000       2.94415000       2.24359000      -0.40474920      -0.65043419      -0.25576392
Cr       1.41933000       0.02104000       1.15143000       0.52646638      -0.11168456       0.99479014
Cr       3.05582000      -1.47267000       3.24461000       1.14472263       1.74339690       0.56903930
Cr       4.37838000       0.00628000       1.03473000      -0.45133627      -0.47268250      -0.44158033
Cr       2.90727000       1.36990000       3.28683000      -1.88256082       1.05008699      -0.74448347
O       -0.14643000       1.51871000       0.92794000       1.58716898      -1.44242808      -0.45971144
O       -1.85336000       3.00010000       3.61769000      -0.80756337       0.74783603      -1.70530175
O       -1.49484000       0.15469000       2.94582000       0.59865643      -0.79553946       1.23897825
O        2.91351000       1.29976000       1.17967000      -0.27234176       0.97803493       1.16035807
O        2.25353000       4.31863000       1.30465000      -0.41669456       0.55017529      -0.68649392
O        1.55630000      -0.06745000       3.18898000       0.56215450      -0.34508244      -1.40400470
O       -0.56688000       4.26014000       0.84327000      -1.24314713       2.01894101       0.13047860
O        1.00453000       3.04935000       3.46919000       0.80141519      -2.92835953       0.55130379
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.42402913 magmom=20.0040246 free_energy=-108.42404054 stress="-0.0726883389497029 0.02244998092784553 -0.011445679759603195 0.02244998092784553 -0.0658114640115962 0.005497822771625354 -0.011445679759603195 0.005497822771625354 -0.056260685276378244" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.05316000      -0.09705000       4.35443000       1.77922206       0.47975182       1.44172422
Cr      -0.45930000       2.95600000       2.16423000       0.54502944       0.49900357       0.91293845
Cr       1.47362000       0.17721000       1.09332000      -1.28174559      -2.88297662      -0.16962960
Cr       3.09372000      -1.43918000       3.27564000      -0.45822962      -1.28333902       0.21301834
Cr       4.40866000      -0.05045000       1.06382000      -1.66423522       0.91906992       0.86805354
Cr       2.78174000       1.31285000       3.20494000       0.61491087       3.04785200       2.02759514
O       -0.09466000       1.50203000       0.99691000       1.38221310      -1.45166140      -1.33504466
O       -1.90921000       3.14745000       3.43836000      -0.41727007      -1.18879581       0.79355650
O       -1.37715000       0.01658000       3.12625000      -2.68749896       1.52307315      -2.13471156
O        2.97853000       1.32794000       1.18767000       0.16293559       0.41467725       1.54376669
O        2.25049000       4.30916000       1.26794000      -0.71377714       0.91078117       0.21330703
O        1.64024000      -0.19783000       3.24066000      -1.14357730       0.47950794      -1.60737249
O       -0.81401000       4.45274000       0.95808000       2.64187365      -0.76411602      -1.17804377
O        1.02444000       2.82173000       3.53360000       1.24014919      -0.70282795      -1.58915784
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.92012411 magmom=20.0043897 free_energy=-108.92012411 stress="-0.06901119604079047 0.04790773338190007 0.005927677708377656 0.04790773338190007 -0.06726115641120209 0.012492780839609165 0.005927677708377656 0.012492780839609165 -0.041130182206188894" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.58519000       2.78492000       0.12713000      -0.69926580       1.66071343      -2.13130243
Cr      -0.44628000       2.98063000       2.12674000       1.48046300      -0.90293380      -0.03334474
Cr       1.48750000       0.17199000       1.03650000       1.04670481      -3.57538148       0.27508912
Cr       3.09833000      -1.45852000       3.30850000      -1.48787644      -0.17835357      -1.54292294
Cr       4.35612000      -0.06975000       1.11931000       0.87225455       0.68770786      -0.57127931
Cr       2.67509000       1.40966000       3.23805000       1.82646483      -0.82772745       2.09214975
O        0.09228000       1.34527000       0.91758000      -2.19532385       1.67364689      -0.13009309
O       -1.98440000       3.06791000       3.27595000       0.53759157      -0.13384281       1.82538804
O       -1.55665000       0.08994000       3.11048000       0.52180587       0.43432492       0.23221651
O        3.00687000       1.44889000       1.38731000       0.04443360      -1.52345617      -1.35651098
O        2.17434000       4.40781000       1.20663000      -0.03626670       0.21559726       0.73189248
O        1.52907000      -0.22982000       3.05544000       0.06953280       0.26224531       0.45102631
O       -0.64163000       4.51147000       0.94832000      -0.42139572      -0.38226036      -0.90098297
O        1.18834000       2.49131000       3.33405000      -1.55912252       2.58971997       1.05867425
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.17617592 magmom=20.0009135 free_energy=-109.17617592 stress="-0.04043098419302562 0.0030010507003897986 -0.0012463239346252233 0.0030010507003897986 -0.058036742380856 0.013259592958853891 -0.0012463239346252233 0.013259592958853891 -0.06999430003791003" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63568000       2.86680000       0.14258000      -0.94366005       0.56344113      -1.79015045
Cr      -0.36519000       2.95526000       2.10335000      -0.17592341      -1.10799286       0.06751374
Cr       1.51920000       0.01386000       1.00213000      -0.96220302       1.31236359       0.90096806
Cr       3.03299000      -1.47888000       3.26347000      -0.14461468       0.90221474      -0.48036044
Cr       4.33741000      -0.03001000       1.14496000       1.52696644       1.04792221      -0.44837751
Cr       2.67166000       1.45860000       3.34695000       0.16927530      -1.70044342      -2.98767659
O       -0.04519000       1.41081000       0.84857000       0.21366281      -0.97806104       0.28265938
O       -1.90922000       2.96643000       3.38214000      -0.24180409       1.38403402       0.22817171
O       -1.63305000       0.18739000       3.14159000       0.96754388      -0.99514087       0.16916546
O        2.96320000       1.37544000       1.31760000      -0.53631518      -0.44109721      -0.09134222
O        2.16599000       4.45465000       1.23152000       0.65401794      -1.02090097       0.64638760
O        1.41801000      -0.18050000       3.02706000       1.02788439      -0.16090451       0.43233911
O       -0.50143000       4.37754000       0.84858000      -2.63056516       0.89344872       0.70067491
O        1.10358000       2.64927000       3.28526000       1.07573482       0.30111648       2.37002722
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.98523021 magmom=19.9985597 free_energy=-108.98523025 stress="-0.04260739796334944 -0.031617591457991645 0.0069731443805624155 -0.031617591457991645 -0.06586641013230295 -0.011663583569624887 0.0069731443805624155 -0.011663583569624887 -0.07685474722413325" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62744000       2.96461000       0.05356000      -0.33217440      -0.84272379      -0.34357905
Cr      -0.29336000       2.86781000       2.09214000      -0.80034633       0.64337381       1.22988926
Cr       1.50301000      -0.08867000       1.02350000      -1.34404783       0.66152322       0.64857756
Cr       2.97672000      -1.43868000       3.20827000       2.06480435       0.19175041       2.29337996
Cr       4.39132000       0.05512000       1.15269000      -1.50591191      -1.25885189       0.36826753
Cr       2.71386000       1.40185000       3.30873000       0.12617561       1.15182998      -0.99834245
O       -0.17812000       1.39718000       0.87369000       2.24595545      -0.07270372      -0.37861192
O       -1.84261000       3.04638000       3.47286000      -1.21498634      -0.54578146      -0.93841613
O       -1.53467000       0.10793000       3.21686000      -0.66077249       0.66904847      -1.01184722
O        2.80565000       1.29047000       1.17091000       0.96879438       0.66032733       1.67124971
O        2.27900000       4.33022000       1.31263000      -1.14701007       1.17793709      -0.13113821
O        1.48083000      -0.12344000       3.12268000       0.70099062      -0.48011325      -1.58602665
O       -0.77709000       4.34692000       0.90126000       0.43522196       0.51634402      -0.18986868
O        1.04541000       2.92202000       3.54617000       0.46330701      -2.47196021      -0.63353370
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.46991083 magmom=20.0042553 free_energy=-109.46991083 stress="-0.03598527736674361 0.0012389274529601227 0.0001716564743421826 0.0012389274529601227 -0.04064942627079433 -0.013540079594450666 0.0001716564743421826 -0.013540079594450666 -0.06761794969015691" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05125000       0.12194000       4.29994000       1.05881912      -0.45059658       0.89055863
Cr      -0.28819000       2.81045000       2.15713000      -0.98002764       1.41347528       1.13386281
Cr       1.41974000      -0.12541000       1.07001000       0.18071405       1.15262413      -0.57692158
Cr       3.03620000      -1.40579000       3.27573000       1.09716565      -1.76244533       0.68051659
Cr       4.37183000       0.08682000       1.18000000      -0.93022431      -1.10501256      -0.83794860
Cr       2.75967000       1.41092000       3.19975000      -1.06136999       1.42917051       1.49039363
O        0.02528000       1.39338000       0.91674000       0.18044182      -0.97863792      -0.46031504
O       -1.94903000       3.00545000       3.37501000       0.15305061       0.04167245       0.72889886
O       -1.49529000       0.11101000       3.14120000      -1.04186343       0.84411937      -0.38462781
O        2.78492000       1.35813000       1.26175000       0.75497193      -0.10206654      -0.35567528
O        2.22985000       4.33738000       1.31840000      -0.95397630       0.83800405      -0.13181460
O        1.58798000      -0.12509000       3.04819000      -1.02324137      -0.50124091       0.08475245
O       -0.91019000       4.35649000       1.00202000       1.77523271      -0.20837856      -0.94647275
O        1.08323000       2.81448000       3.60111000       0.79030715      -0.61068739      -1.31520731
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.61203066 magmom=19.9971255 free_energy=-108.61203071 stress="-0.08716048169537739 0.04802578983556718 0.0029252654851871372 0.04802578983556718 -0.052847699779642175 -0.009135019504086876 0.0029252654851871372 -0.009135019504086876 -0.054344915603951376" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05371000       0.13339000       4.22554000      -0.18172361       0.09556436       1.58074535
Cr      -0.35196000       2.81932000       2.29513000       0.05763746       0.16940190      -1.64185725
Cr       1.34565000      -0.10240000       1.09793000       2.51419185       0.36942678       0.01715433
Cr       3.16941000      -1.45957000       3.39458000      -1.79006722       0.91716964      -2.18392092
Cr       4.28552000       0.03973000       1.15603000       0.94880461      -0.95850203      -2.10340063
Cr       2.73828000       1.49078000       3.15409000      -1.16795385      -2.67103689       1.23895611
O        0.22828000       1.36617000       0.96055000      -2.93210823       1.03445328      -0.05195296
O       -1.97727000       2.97189000       3.35472000       1.16210556       1.38137140       1.42139995
O       -1.56537000       0.23289000       3.04577000       0.34670284      -0.75850544       0.84718674
O        2.91719000       1.46931000       1.25362000      -0.01422427      -0.47619819      -1.30795255
O        2.06398000       4.45063000       1.22569000       1.85180373      -1.01593556       0.36138643
O        1.51569000      -0.19914000       3.02786000       1.01227245      -0.11109056       0.55574493
O       -0.69309000       4.30205000       0.98782000      -1.65668328       0.28482545      -0.95238903
O        1.22447000       2.58493000       3.35101000      -0.15075805       1.73905585       2.21889950
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.62411307 magmom=19.999348 free_energy=-108.6241212 stress="-0.0682189209985007 0.024477899721453734 0.016908100142213733 0.024477899721453734 -0.028321758469639007 -0.010541485988958455 0.016908100142213733 -0.010541485988958455 -0.040620261184128245" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04892000       0.14162000       4.23550000      -0.25494419      -0.57035078       0.28118574
Cr      -0.41130000       2.84365000       2.35088000       0.68820538      -0.06233086      -2.17668250
Cr       1.39464000      -0.04948000       1.13589000       0.52833720       0.43618685       0.07334954
Cr       3.22004000      -1.46746000       3.40565000      -1.64489813       1.55250506      -1.13471942
Cr       4.24936000      -0.06126000       1.01237000       2.54849635       1.66002677       0.53649805
Cr       2.67067000       1.43652000       3.17482000       1.64231357      -0.41749451       0.44634899
O       -0.06698000       1.43574000       1.03423000       0.76165909      -1.67577156      -0.79203592
O       -1.79526000       3.12810000       3.55973000      -1.81554622      -0.60336952       0.35003477
O       -1.56364000       0.22155000       3.11498000      -0.46944708      -0.48130701      -1.16321165
O        3.03272000       1.51150000       1.01844000      -1.11712996      -1.55647417       2.41671670
O        2.18299000       4.39859000       1.13346000      -0.91281739       0.15786981       1.76469639
O        1.54426000      -0.25314000       3.12833000       1.24207526       0.33339229      -1.43492255
O       -0.64612000       4.28319000       0.87716000      -1.13560492       0.82104575      -0.05572003
O        1.24780000       2.70558000       3.36731000      -0.06069896       0.40607188       0.88846188
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.17115833 magmom=19.9996314 free_energy=-108.17115852 stress="-0.07141947785560897 -0.031432167225642245 0.0017462883577735455 -0.031432167225642245 -0.07560990194671052 -0.003039061060302298 0.0017462883577735455 -0.003039061060302298 -0.0908935006911318" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03068000       0.10122000       4.27908000       0.53887100      -1.07497838       0.05209467
Cr      -0.44051000       2.86562000       2.28534000      -0.54736426       0.38328954      -0.49171483
Cr       1.48152000       0.01777000       1.18183000      -1.21106920      -0.85395581      -1.24795774
Cr       3.17941000      -1.39576000       3.35044000      -0.36797764      -1.37611091      -0.10722245
Cr       4.33485000      -0.09097000       0.90239000      -1.18633531       0.66959002       3.74091191
Cr       2.70306000       1.34488000       3.22676000       1.95801931       3.36568868       0.20007240
O       -0.28558000       1.34392000       1.02899000       3.21120185       0.80177488      -0.75654959
O       -1.82829000       3.16293000       3.67999000      -0.76575671      -0.85616234      -2.17135694
O       -1.53390000       0.10574000       3.08915000       0.18721348       1.29364638      -0.58237036
O        2.91434000       1.37430000       1.12247000      -0.23160870      -0.12638513       1.75317875
O        2.25138000       4.31390000       1.24920000      -1.00584049       0.83558451       0.67837854
O        1.67700000      -0.19784000       3.07590000      -1.92682542      -0.18714198       0.57625989
O       -0.77691000       4.36935000       0.82961000       0.78805023      -0.52934391       0.52219169
O        1.13854000       2.96152000       3.44846000       0.55942186      -2.34549553      -2.16591594
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.12496316 magmom=20.000558 free_energy=-109.12496316 stress="-0.051408621359655786 -0.015865477532250857 0.008424053269021462 -0.015865477532250857 -0.05212222495688536 -0.00043809064549295913 0.008424053269021462 -0.00043809064549295913 -0.07681241901941502" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02971000       0.00081000       4.34330000      -0.45102032      -0.11551481       1.22727590
Cr      -0.49402000       2.89964000       2.17099000       0.49298261      -0.64263419      -0.55451315
Cr       1.48533000       0.02134000       1.15708000      -1.97696749      -1.34072009      -0.50972094
Cr       3.10660000      -1.38296000       3.28585000      -0.50175205      -0.95713571       0.23034133
Cr       4.38378000      -0.05787000       0.96938000      -1.12749113       0.90442229       1.06364750
Cr       2.82795000       1.41547000       3.30771000      -1.82911865      -0.22997471       0.46173202
O       -0.00763000       1.38127000       0.92067000      -0.04702799      -0.14547926      -0.35335149
O       -1.98116000       3.01144000       3.40129000       0.80561431       1.14217596       1.34903493
O       -1.43258000       0.13200000       3.02177000      -0.42801149       0.22481406       0.33900253
O        2.77668000       1.29550000       1.45576000       2.17466874       1.56849041      -2.94960656
O        2.18852000       4.34096000       1.38281000       0.01510742       0.63350006      -1.89581961
O        1.50885000      -0.10536000       3.12849000       1.08782264      -0.54185814      -0.16118753
O       -0.75856000       4.37776000       0.91697000       0.50432288       0.40617393      -0.49975094
O        1.09889000       2.82582000       3.26845000       1.28087051      -0.90625979       2.25291601
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.2828385 magmom=20.0014133 free_energy=-109.2828385 stress="-0.029412844718998413 0.0205733556725733 0.006513115192499507 0.0205733556725733 -0.04925064410227101 0.01029739478520295 0.006513115192499507 0.01029739478520295 -0.044998535675799076" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.55136000       2.80123000       0.08465000      -0.95811712       0.74301416      -0.71220941
Cr      -0.49946000       2.88704000       2.06748000       1.64860429      -1.85368219       0.70855255
Cr       1.41800000      -0.02142000       1.11455000       1.93293478       1.84365657       0.54879620
Cr       3.02989000      -1.42893000       3.23536000       0.47518464      -0.27872786      -0.23019045
Cr       4.36152000       0.00877000       1.08603000       0.34007406       0.35850212      -0.68509949
Cr       2.84942000       1.46359000       3.36442000      -1.93538616      -1.31683539      -2.04838413
O        0.18295000       1.45777000       0.81801000      -1.69585252      -0.24002525       0.27251362
O       -1.93241000       3.06010000       3.29785000      -0.19164380       0.92711782       1.82915153
O       -1.40069000       0.17633000       3.07142000      -1.17751902       0.07341874      -0.18045731
O        2.93753000       1.43646000       1.32228000       0.43017339      -1.81247617       0.80197864
O        2.16913000       4.43989000       1.21468000       0.05741946       0.01001379       0.73554856
O        1.47297000      -0.10806000       3.19352000       1.82468864      -0.53804973      -1.16398872
O       -0.64889000       4.40880000       0.95626000      -1.06018684       0.84126677      -0.67962965
O        1.17465000       2.61458000       3.37388000       0.30962622       1.24280662       0.80341806
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.30807688 magmom=20.0007175 free_energy=-109.30807688 stress="-0.05302135007910858 0.04890317108164858 0.000843561010973404 0.04890317108164858 -0.0717689924988325 -0.0023276577385943093 0.000843561010973404 -0.0023276577385943093 -0.03666296044231979" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48962000       2.77883000       0.11538000      -0.46200578       0.65190952      -1.84760379
Cr      -0.42602000       2.80545000       2.03233000      -0.43434191       1.45828335       2.32625500
Cr       1.45249000       0.03138000       1.10657000       0.75587389       0.74867465      -0.67933054
Cr       3.00357000      -1.48562000       3.19042000       2.30507292       0.52503063       0.38382360
Cr       4.36746000       0.06698000       1.14569000       1.93549358      -1.69007088      -0.63479291
Cr       2.76214000       1.43275000       3.31551000       0.51681697       0.83062308       0.07578743
O        0.02504000       1.47665000       0.82560000       0.45830296      -1.79532535      -0.46616796
O       -1.81914000       3.23034000       3.43331000      -0.54084735      -1.23596988       0.09719793
O       -1.52632000       0.20164000       3.15326000       0.01670676      -0.04560802      -0.50313314
O        3.07786000       1.36852000       1.23013000      -2.02615442       0.71776838       1.79706526
O        2.19714000       4.47386000       1.14421000      -0.06345769      -0.42079236       1.17563383
O        1.64305000      -0.17286000       3.12362000      -1.69871839       0.75192641      -0.20717430
O       -0.69017000       4.48489000       0.94287000       0.26182489      -0.65929211       0.14752219
O        1.24752000       2.68448000       3.54630000      -1.02456644       0.16284258      -1.66508260
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.33678658 magmom=20.0013531 free_energy=-109.33678658 stress="-0.0507596463112739 -0.02394706103053879 -0.006197410186301478 -0.02394706103053879 -0.05544816214185018 0.006205072662360996 -0.006197410186301478 0.006205072662360996 -0.07501388287016003" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.39731000       2.80780000       0.03192000       0.91579450       0.02479590       0.09818673
Cr      -0.35680000       2.79084000       2.12014000      -0.72116835       0.84920363       0.57441970
Cr       1.53936000       0.12256000       1.06922000      -1.57890041      -2.77963911       0.69236447
Cr       3.09829000      -1.50316000       3.16863000      -0.28514265       1.50336113       1.45592647
Cr       4.45474000       0.03046000       1.16091000      -2.63644483      -2.00702478      -0.41705062
Cr       2.67609000       1.44200000       3.27050000       0.27206633       0.76936157       2.38475735
O       -0.10798000       1.30831000       0.87490000       2.60584567       1.78424774      -0.51837928
O       -1.77155000       3.14900000       3.52920000      -0.69135237      -0.27854443      -1.46617102
O       -1.62088000       0.19277000       3.18197000       0.31215238      -0.03340597      -1.00258543
O        2.88294000       1.41047000       1.38866000       1.34592146       0.83145345      -1.34535855
O        2.25551000       4.38647000       1.26511000      -0.05861182       0.61494888      -0.77991831
O        1.54201000      -0.12862000       3.04612000      -0.24844496      -0.22489987       0.50569791
O       -0.68747000       4.40726000       0.97243000       0.19486196       0.48060905      -0.85523776
O        1.14328000       2.82453000       3.41582000       0.57342310      -1.53446718       0.67334834
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.2666791 magmom=20.001448 free_energy=-108.26691125 stress="-0.06853764814965899 -0.004127609212458682 -0.017828192777983146 -0.004127609212458682 -0.041316765505507495 0.004442225718189683 -0.017828192777983146 0.004442225718189683 -0.08521316369092283" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.20729000      -0.02151000       4.28639000       1.16377985      -0.01273948       1.03943353
Cr      -0.32824000       2.84855000       2.25670000      -0.72846268      -0.25423936      -2.75882807
Cr       1.56725000       0.08641000       1.04902000      -0.71856609      -1.21601603       0.65434885
Cr       3.20376000      -1.44579000       3.22632000      -2.39953495      -0.96247850       0.95500263
Cr       4.46289000      -0.11805000       1.14334000       0.14225689       2.10550458      -1.41673855
Cr       2.58883000       1.48975000       3.33656000       0.98187568      -1.55479350      -1.74397644
O        0.09888000       1.36553000       0.91021000      -0.80941649      -0.11024898      -0.51969611
O       -1.83622000       2.92709000       3.37963000      -1.01688596       1.24541813       1.51633999
O       -1.61117000       0.15441000       3.06771000      -0.60849208       1.09751875      -0.75924004
O        2.73912000       1.64235000       1.33895000       1.32061045      -2.15767230       0.21949788
O        2.32521000       4.34582000       1.27298000      -1.01242684       1.10316299      -0.09804227
O        1.31535000      -0.05760000       3.07138000       2.00703974      -0.41923368      -0.56494059
O       -0.60398000       4.31565000       0.91001000      -0.30855708       0.69631641       0.36031980
O        1.13528000       2.75162000       3.33732000       1.98677956       0.43950097       3.11651938
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.88090438 magmom=20.0068052 free_energy=-107.88090541 stress="-0.07515688048167529 -0.002594952988344093 -0.0020529157505479434 -0.002594952988344093 -0.051406404731380285 -0.005099723622181068 -0.0020529157505479434 -0.005099723622181068 -0.10586529982275472" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.19234000       0.03969000       4.23500000      -0.13122545      -0.45410570       0.69781142
Cr      -0.32971000       2.90598000       2.27810000       0.45276349      -1.05061377      -0.12024867
Cr       1.53944000      -0.02843000       1.06635000      -0.46347729       1.88727639      -0.13901871
Cr       3.18913000      -1.41585000       3.35389000      -1.06369420       0.38255863      -1.20283713
Cr       4.46472000      -0.17738000       1.05805000      -0.34264530       2.91299214       3.27227158
Cr       2.56698000       1.43833000       3.32658000       2.38356886      -0.83772882      -2.63142285
O        0.19419000       1.48794000       0.91107000      -0.81420007      -0.80944459       0.25069261
O       -1.97815000       2.88896000       3.36816000       0.91570115       1.68758945       0.93706646
O       -1.61233000       0.23203000       2.91076000      -0.32764609      -0.24840063       1.35683103
O        2.78381000       1.58211000       1.17871000       0.77596717      -2.07172041       1.13538325
O        2.22407000       4.43935000       1.18472000      -0.06275611      -0.80819894       1.13216798
O        1.35096000      -0.02811000       3.08138000       1.47429782      -1.31721481      -0.72113653
O       -0.54716000       4.29747000       0.93425000      -1.03354767       0.37309424      -0.00472907
O        1.30627000       2.79541000       3.65527000      -1.76310632       0.35391680      -3.96283135
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.78230231 magmom=19.9982196 free_energy=-108.78230237 stress="-0.0835658731951458 0.013607062446782149 -0.01954507958327587 0.013607062446782149 -0.05720293708582369 0.0010651065356002479 -0.01954507958327587 0.0010651065356002479 -0.05678920362386055" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14194000       0.07227000       4.23844000       2.02021549      -1.22561811       1.47587730
Cr      -0.31749000       2.91988000       2.27244000      -1.42847717       0.08414156      -0.02887530
Cr       1.47255000      -0.06469000       1.07649000       0.00924991       0.57481126      -0.34072810
Cr       3.10078000      -1.37472000       3.44079000       0.28269469      -0.48002460      -2.27895198
Cr       4.44357000      -0.07301000       1.09363000      -1.48727920       0.59578640      -0.47798165
Cr       2.69217000       1.34440000       3.15893000      -0.00152187       3.80991816       0.73873936
O        0.06722000       1.49121000       0.99713000      -0.04443001      -1.41975214       0.11989870
O       -1.93540000       3.11128000       3.50173000      -0.03376293      -0.77573417      -0.85765545
O       -1.58031000       0.24137000       3.04375000      -0.02033119      -0.74645762      -0.24550956
O        2.92397000       1.21490000       1.10496000       0.10543659       1.67263258       0.87657874
O        2.12160000       4.36365000       1.20476000       1.35471876      -0.12942426       0.63450698
O        1.58435000      -0.19609000       3.04859000      -1.26904741       0.29735225       0.64889775
O       -0.65872000       4.34838000       1.00168000      -0.97226889       0.22403291      -1.75810123
O        1.16184000       2.91961000       3.44280000       1.48480323      -2.48166424       1.49330444
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.97955856 magmom=20.0002812 free_energy=-108.97955879 stress="-0.07797922750090851 0.03034330046941102 -0.0007166402412155333 0.03034330046941102 -0.046283727753418984 -0.001813299577764005 -0.0007166402412155333 -0.001813299577764005 -0.031656950433264" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00992000       0.04758000       4.31042000       1.53511656      -0.70539729       0.64722535
Cr      -0.37208000       2.93789000       2.25303000       0.11601759       0.63507667      -1.05854747
Cr       1.42370000      -0.06675000       1.06916000       0.23202518      -0.71009812       0.32998792
Cr       3.04821000      -1.38077000       3.40960000       0.62774924      -2.04179454      -1.10988134
Cr       4.36965000       0.01561000       1.13944000       0.26245759      -3.00876209      -1.06094658
Cr       2.80235000       1.43465000       3.05644000      -1.55743511       1.27222143       3.16680191
O       -0.07155000       1.35066000       1.10924000       1.03941465       0.10780333      -1.41191008
O       -1.85771000       3.16994000       3.47112000      -1.25173052      -0.87545592       0.29437714
O       -1.53561000       0.11988000       3.18656000      -0.86861692       0.77018789      -1.30249004
O        2.94884000       1.20874000       1.15593000      -1.24485571       1.94225159      -0.08983990
O        2.23526000       4.26686000       1.27030000      -0.76660859       1.82434015       1.04770147
O        1.55385000      -0.23959000       3.10564000      -0.37170040       1.05089474      -0.79731904
O       -0.83168000       4.38629000       0.88144000       1.30668159      -0.31101447      -0.37522786
O        1.20326000       2.69837000       3.30368000       0.94148485       0.04974662       1.72006851
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.27101129 magmom=20.0000783 free_energy=-109.27101129 stress="-0.05378046866454438 -0.007033349503235993 0.01368305508605759 -0.007033349503235993 -0.05579603799571309 0.009156395955069476 0.01368305508605759 0.009156395955069476 -0.05810411821732658" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.68137000       2.89669000       0.03910000      -1.48629913       2.22856514      -0.74054599
Cr      -0.40861000       2.96952000       2.19046000       1.61217963      -0.93174199      -0.34806426
Cr       1.40685000      -0.09126000       1.08030000       0.36883910       1.24553841       0.45496551
Cr       3.04128000      -1.46759000       3.33163000       0.03064127       1.24016843       0.21387674
Cr       4.32509000      -0.04381000       1.12292000       0.62832902       0.38277760      -0.23718915
Cr       2.80977000       1.55113000       3.12795000      -1.21049061      -3.44866669       1.18285949
O       -0.05645000       1.29681000       1.00948000       0.06691902       0.30753823      -0.68756917
O       -1.91362000       3.05164000       3.42047000       0.26729782       0.96292336       0.70905414
O       -1.56062000       0.10870000       3.14831000      -0.04469704       0.56208628      -0.53802775
O        2.79646000       1.46927000       1.19341000       1.05783587      -2.86054429       1.04387632
O        2.23512000       4.38438000       1.35562000      -1.03858466      -0.57768754      -0.53896604
O        1.45405000      -0.10771000       3.06916000       1.88682348      -0.98061449      -0.98157323
O       -0.73575000       4.33856000       0.82675000      -0.03072772       0.21308552       0.30976539
O        1.26469000       2.60498000       3.42018000      -2.10806604       1.65657204       0.15753800
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.65053804 magmom=20.0000612 free_energy=-109.65053804 stress="-0.02691365554221424 -0.009059640848305656 -0.00042362196601090235 -0.009059640848305656 -0.03866689772883247 0.0062455131788176944 -0.00042362196601090235 0.0062455131788176944 -0.09329134336348445" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.74090000       2.94981000       0.07596000      -1.00188070       0.00558154      -0.90352833
Cr      -0.36336000       2.93420000       2.11791000      -0.03488188      -1.62486532       0.73670155
Cr       1.41038000      -0.04317000       1.10704000       0.53168874       1.53593309      -1.07957360
Cr       3.04557000      -1.47958000       3.26715000       0.52425332       1.16078815      -0.01555530
Cr       4.31954000      -0.08767000       1.09456000       0.08308224       1.64768400       0.55907050
Cr       2.73999000       1.48731000       3.26539000      -0.08642630      -1.01666532      -0.84798702
O       -0.04390000       1.34442000       0.83478000      -0.25183681      -0.19023263       1.17669291
O       -1.90458000       3.04632000       3.43404000      -0.31167330       0.20184369      -0.05943185
O       -1.55656000       0.17561000       3.06226000       0.28022187      -0.46500764       0.58657239
O        2.80108000       1.37770000       1.29869000       0.67335798      -0.28238459      -0.42937368
O        2.11505000       4.37344000       1.29161000       0.50178950      -0.50271541      -0.04288177
O        1.57580000      -0.11564000       3.01434000      -0.45312629      -0.46530794       1.43058321
O       -0.62298000       4.31648000       0.88216000      -1.96495698       1.26746582      -0.95918881
O        0.99888000       2.80306000       3.50956000       1.51038861      -1.27211744      -0.15210021
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.7383605 magmom=19.9986723 free_energy=-108.73836051 stress="-0.04918966191171126 0.021833335473671642 0.015029446752241611 0.021833335473671642 -0.06054421146874846 -0.030772073546662008 0.015029446752241611 -0.030772073546662008 -0.07243888839299684" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.73329000       3.00821000       0.04858000      -1.08632718      -1.72334575      -0.33217373
Cr      -0.31927000       2.80783000       2.07494000      -1.78683733       1.89651190       0.97485446
Cr       1.43975000       0.09791000       1.08212000      -1.01613257      -1.82673447      -0.84375888
Cr       3.09059000      -1.42338000       3.20530000       0.26840018      -1.90469409       0.81155331
Cr       4.32060000      -0.03543000       1.09590000      -0.24118505       0.44248733       0.13649261
Cr       2.66473000       1.33277000       3.36494000       2.03428323       2.86738508      -1.35309011
O       -0.09282000       1.40513000       0.86360000       0.91425679      -1.30920864      -0.75061445
O       -1.89611000       3.07414000       3.41028000      -0.70494746      -0.56089011       0.26016605
O       -1.48391000       0.14056000       3.09517000      -0.25106835      -0.17174988       0.41231668
O        2.91501000       1.24704000       1.33070000      -0.60194441       2.05268997       0.01513611
O        2.08109000       4.28039000       1.20362000      -0.39235365       2.43525588       2.00522366
O        1.59135000      -0.21299000       3.20205000      -0.26201872      -0.17844294      -2.00036536
O       -0.78639000       4.43856000       0.90068000       0.52696286      -0.70163492       0.56981002
O        0.91540000       2.86077000       3.50409000       2.59891167      -1.31762935       0.09444961
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.79860063 magmom=20.0050526 free_energy=-108.79860372 stress="-0.06296993373903063 0.026978307346924937 0.002861504811941892 0.026978307346924937 -0.05290086444881421 -0.012279464282893124 0.002861504811941892 -0.012279464282893124 -0.04028977923655395" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63405000       2.99176000       0.00248000       0.34511446       0.84329782       1.69315074
Cr      -0.36831000       2.73673000       2.11134000      -0.25256176       1.69913760       1.40466764
Cr       1.43381000       0.18774000       0.98896000       0.68240930      -2.91031916       1.77416672
Cr       3.16967000      -1.46625000       3.18070000      -1.85814671      -1.32900363       1.27149041
Cr       4.30195000       0.08067000       1.11286000       0.28463434      -1.00971412      -0.37992177
Cr       2.68967000       1.29664000       3.41320000       0.28865624       1.25444966      -0.60613263
O       -0.03209000       1.33105000       0.87804000      -0.23419437       0.82809649      -0.95941249
O       -1.97697000       2.95888000       3.37969000       1.24485558      -0.10404441       0.56073467
O       -1.42082000       0.03099000       3.23540000      -1.95337208       1.48075905      -1.93581154
O        2.92179000       1.48693000       1.29722000      -0.31372575      -0.80827839       0.68762868
O        2.09476000       4.51372000       1.32682000       0.52172831      -0.26177676      -2.00782111
O        1.50181000      -0.31672000       3.17127000       1.15775497       1.00520992      -1.02717178
O       -0.88379000       4.42987000       1.04150000       1.18761846      -0.54803886      -0.73156027
O        1.26270000       2.67091000       3.38254000      -1.10077099      -0.13977520       0.25599274
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.93153099 magmom=19.9979018 free_energy=-107.93153229 stress="-0.09065280364500498 0.006047851213283663 0.006616386247545475 0.006047851213283663 -0.05657090601830358 -0.0015363783043912459 0.006616386247545475 -0.0015363783043912459 -0.05242197268367481" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.52043000       2.99514000       0.00949000       0.62300871       1.06090914      -1.04709856
Cr      -0.44562000       2.75909000       2.23553000       2.23959762      -0.42002072      -1.20658495
Cr       1.45610000       0.12550000       0.97734000       0.27398197      -0.88445368       3.09586383
Cr       3.16545000      -1.59746000       3.20337000      -1.03744155       1.84194822      -1.67025046
Cr       4.30691000       0.16866000       1.11022000       1.32972011      -0.49214144      -0.24698162
Cr       2.75516000       1.31853000       3.43349000      -0.68981262      -1.33119832      -0.92640108
O       -0.01609000       1.38017000       0.77697000       0.02012373       0.36265882       0.53895713
O       -1.85185000       2.83968000       3.42373000      -1.05525391       1.77289855       1.22355779
O       -1.57925000       0.12060000       3.17276000       0.73835771      -0.29185945      -1.16187261
O        2.83786000       1.67651000       1.29838000       0.99390224      -2.93309449       0.78165079
O        2.23352000       4.68131000       1.16501000      -0.80139005      -2.45915944       0.08046621
O        1.52682000      -0.21045000       3.02457000       0.19266019      -0.14309804       0.64763349
O       -0.73147000       4.27700000       1.09505000      -0.25445441       1.96257108      -1.47784907
O        1.38065000       2.52873000       3.23637000      -2.57299974       1.95403977       1.36890911
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.23930922 magmom=19.9980771 free_energy=-108.23931642 stress="-0.06545448585914106 -0.014267088680014773 0.0019120477169803926 -0.014267088680014773 -0.051284829939018915 -0.018189169971440895 0.0019120477169803926 -0.018189169971440895 -0.09009807092174492" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.08082000       0.13735000       4.32981000       0.78602301      -3.08211775      -1.65404563
Cr      -0.42710000       2.78877000       2.28271000      -1.47288209       0.39458104      -2.17571268
Cr       1.50327000       0.00478000       1.13134000      -0.64156309       0.74828611      -0.42146100
Cr       3.09632000      -1.62304000       3.15376000       0.47627411       2.43996654      -0.47956625
Cr       4.37084000       0.20392000       1.08220000      -0.19172469      -1.90406923      -1.49159403
Cr       2.76955000       1.29378000       3.40284000      -0.51013080       2.38794388      -1.21396746
O       -0.05434000       1.51659000       0.80799000       0.76007515      -1.00069783      -0.01495439
O       -1.81734000       2.97716000       3.57373000      -1.37247261       0.11848849      -0.85098573
O       -1.57321000       0.14790000       2.99600000       0.85956154      -0.84674359       0.87172375
O        2.86513000       1.46215000       1.30038000       0.23694767       0.40907161       0.12605372
O        2.28763000       4.47194000       1.00959000      -0.70844805       2.03580282       3.61470280
O        1.54684000      -0.08890000       3.05672000      -0.25856351      -1.98812054       0.57502593
O       -0.57605000       4.33707000       0.95484000      -1.18741477       0.85915082       0.47141644
O        1.06301000       2.73079000       3.31482000       3.22431812      -0.57154236       2.64336453
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.64873332 magmom=19.9983615 free_energy=-108.64873334 stress="-0.055331234053168886 -0.007078151093190638 -0.00873000219727086 -0.007078151093190638 -0.03646282527255312 -0.010063534569583954 -0.00873000219727086 -0.010063534569583954 -0.11848288687748652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.08074000       0.05374000       4.25041000       1.00454828      -0.76608910       2.37919137
Cr      -0.43378000       2.84003000       2.22605000      -0.50927539       0.67857384       0.28407726
Cr       1.50668000      -0.04940000       1.24035000      -1.09400802       1.68893364      -2.36720544
Cr       3.06414000      -1.51893000       3.10289000       1.28117070       0.63140069       4.10533251
Cr       4.42019000       0.14800000       1.01968000      -0.19306019      -1.31931398       3.08929250
Cr       2.74859000       1.37043000       3.32245000       0.50276201       1.03159312       0.16126939
O        0.00480000       1.49259000       0.92197000       0.88651907      -0.79786190      -0.61500765
O       -1.95053000       3.08227000       3.52559000       0.46448744      -1.02379194      -0.41005982
O       -1.42308000       0.03313000       2.99209000      -2.26276722       1.11195421      -0.58556817
O        2.89981000       1.33803000       1.28328000      -0.15016825       1.07645151       0.50560937
O        2.23955000       4.40206000       1.28560000      -0.23877190      -0.12044440      -2.23840303
O        1.51788000      -0.21449000       3.19797000       0.93143819       0.26063131      -0.84200783
O       -0.61716000       4.45200000       0.93051000      -1.02061544      -0.88267074       0.26541595
O        1.09310000       2.84459000       3.59477000       0.39774072      -1.56936626      -3.73193640
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.70596512 magmom=20.0005612 free_energy=-109.70596512 stress="-0.06291700841300904 0.020007823247348185 0.005942376162776673 0.020007823247348185 -0.05067478099852698 0.0042441017249426095 0.005942376162776673 0.0042441017249426095 -0.030505872108903515" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03581000      -0.06494000       4.28002000      -0.23701799       0.14533077       1.30373937
Cr      -0.46102000       2.90962000       2.17634000       1.39095431      -0.81104017       0.04591321
Cr       1.45808000      -0.01610000       1.20358000       0.58696487      -0.44021349      -1.12125467
Cr       3.10612000      -1.41080000       3.24117000      -0.07574312      -1.80769173       0.36695748
Cr       4.43195000       0.03437000       1.07460000      -1.82282211      -0.20071513      -0.58665952
Cr       2.75173000       1.48938000       3.26116000      -0.94315657      -1.41879764       0.38939982
O        0.11373000       1.37644000       0.99544000      -0.84658680       0.19950246      -0.92918251
O       -1.94975000       3.01101000       3.35618000       0.12760648       1.06658800       1.81210762
O       -1.54185000       0.09997000       3.02707000       0.21740455       1.25892167       0.27271946
O        2.89453000       1.40058000       1.29579000       0.36322851      -0.55353535      -0.25657713
O        2.17636000       4.33914000       1.23674000       0.07126999       0.88725694       0.11586922
O        1.57043000      -0.24342000       3.21314000       0.25123983       1.04390050      -1.16889567
O       -0.78166000       4.39654000       0.99235000       0.84536373       0.59923429      -1.18270137
O        1.19816000       2.73255000       3.37119000       0.07129433       0.03125888       0.93856470
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.33690667 magmom=20.002399 free_energy=-109.33690668 stress="-0.0600492837187704 0.033418934139274145 -0.0014459332510065297 0.033418934139274145 -0.05791092848032651 0.0191241767619232 -0.0014459332510065297 0.0191241767619232 -0.03388692218145742" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54465000       2.73346000       0.01605000      -0.66569994       1.72561211      -1.53973976
Cr      -0.41500000       2.93533000       2.14010000       0.87975267      -0.97354050       0.12164475
Cr       1.44601000      -0.00229000       1.10439000       0.70844619      -0.66325869      -0.16830601
Cr       3.14379000      -1.39333000       3.40455000      -1.08900412       0.11760279      -2.48790224
Cr       4.34963000      -0.07626000       1.12281000      -0.46199352       1.03336550      -0.76235396
Cr       2.72028000       1.52937000       3.22202000       0.34022470      -1.19720840       0.14680503
O        0.01649000       1.33806000       0.96185000      -0.47540810       0.23236919       0.12560969
O       -1.87083000       3.07480000       3.41163000      -0.59943246       0.74461625       1.01141654
O       -1.58752000       0.28870000       3.14051000       1.00960665      -1.40504271      -0.29691593
O        2.92068000       1.38402000       1.23947000       0.49498538      -1.45738509       0.87702848
O        2.16057000       4.38288000       1.08810000       0.20455678       0.40828798       1.53497824
O        1.60185000      -0.09205000       3.08719000      -0.30173470      -0.85448048       0.21631420
O       -0.77353000       4.37812000       0.92304000       0.36592206       0.79676287      -0.80440480
O        1.23194000       2.67933000       3.20952000      -0.41022161       1.49229917       2.02582577
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.83880279 magmom=20.0008293 free_energy=-108.83880279 stress="-0.06445206588299757 -0.010462115195283719 -0.009514213977475611 -0.010462115195283719 -0.06841479266204008 0.009878291447104856 -0.009514213977475611 0.009878291447104856 -0.06618652367243431" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54932000       2.74857000       0.04899000       0.50644030       0.29082389      -0.22879945
Cr      -0.30609000       2.91425000       2.11209000      -0.85375710       1.03559790       0.42252273
Cr       1.47359000      -0.03089000       1.00825000      -0.79432680       0.39903679       2.16837413
Cr       3.11693000      -1.36887000       3.43002000      -0.91300301       0.83402135      -1.68448895
Cr       4.26065000      -0.12448000       1.12575000       3.87048592       1.60118513      -0.70458775
Cr       2.69806000       1.49424000       3.19078000       0.69676635       0.53593942       0.51373764
O       -0.20957000       1.38394000       0.98240000       1.57312198      -0.94156909      -0.20167181
O       -1.84230000       3.24448000       3.53930000      -0.15907047      -0.78087591      -2.20185139
O       -1.45147000       0.21315000       3.24407000      -1.97765329       0.09944793      -1.72316570
O        2.96346000       1.23257000       1.23515000      -0.82905652       1.47807853       0.62489672
O        2.18740000       4.40801000       1.16364000      -0.90699184      -1.68274062       1.20376430
O        1.53477000      -0.06219000       3.03996000       0.22628431      -0.69774598       0.24110081
O       -0.65967000       4.43968000       0.77997000      -1.00694488      -0.78390532       0.73211663
O        1.16701000       2.87797000       3.38242000       0.56770505      -1.38729401       0.83805208
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.55099434 magmom=19.9995619 free_energy=-108.5510074 stress="-0.02588698612971297 -0.018948771506128323 -0.007982843966112629 -0.018948771506128323 -0.03781236490003837 -0.0030246998408828612 -0.007982843966112629 -0.0030246998408828612 -0.10333705839954796" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.56567000       2.82380000       0.04693000      -0.53539056       0.08208474       0.05568529
Cr      -0.18618000       2.93707000       2.11102000      -0.45985246       1.33416013       1.21831494
Cr       1.46291000      -0.05527000       0.99407000      -0.38241077       0.55949956       0.54591569
Cr       3.01394000      -1.30039000       3.34402000       0.15815528      -2.86655972       1.23656381
Cr       4.35334000      -0.09061000       1.10195000      -0.57849473      -0.25153466       3.13126594
Cr       2.70964000       1.47121000       3.18985000       0.26505757       0.89984687       0.81111086
O       -0.19703000       1.36063000       1.03961000       1.99919460      -0.65978695      -1.19861669
O       -1.84381000       3.23662000       3.31346000      -0.97545803      -1.44983238       1.21155718
O       -1.53318000       0.05180000       3.12018000      -0.06297614       2.27842936      -0.18058560
O        2.84168000       1.30993000       1.29511000       0.50919285      -0.45894328      -0.66114013
O        2.13379000       4.14714000       1.44673000      -0.22870976       1.74330324      -1.46782866
O        1.44012000      -0.15641000       3.10354000       0.70334110       0.62519324      -1.14583142
O       -0.65418000       4.36558000       0.78974000      -0.53245253      -0.19194910       0.21854774
O        1.08993000       2.92512000       3.67460000       0.12080360      -1.64391105      -3.77495894
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.86183214 magmom=20.0006817 free_energy=-107.86183241 stress="-0.04718406998864629 0.021794135544534844 -0.02973230414273188 0.021794135544534844 -0.04611601898366685 0.004293154962257206 -0.02973230414273188 0.004293154962257206 -0.10047641906646902" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.56015000       2.92038000       0.04567000      -0.44673093      -0.04176309      -0.82537097
Cr      -0.08762000       3.02582000       2.17826000      -2.38990443      -0.22219210      -1.43452519
Cr       1.42937000      -0.05496000       1.01777000       1.23369207      -0.67214914      -0.23827577
Cr       2.90396000      -1.36485000       3.30169000       1.92214251      -1.80050461       1.07292593
Cr       4.47139000      -0.03927000       1.17928000      -1.89040867      -0.14933440      -1.65213887
Cr       2.73524000       1.49256000       3.22629000      -2.41332149      -1.55818568      -0.90809041
O        0.13327000       1.31631000       0.94055000      -1.94313169       0.40132789      -0.34901974
O       -1.93708000       2.91410000       3.16035000       0.96115815       2.07964801       1.98466185
O       -1.67214000       0.17772000       2.99039000       0.82584438      -0.51817772       2.25268054
O        2.72591000       1.41193000       1.22554000       1.43799017      -1.72030282       0.18167212
O        2.03038000       4.05405000       1.45502000      -0.92257185       2.61519885      -0.89543595
O        1.39161000      -0.16589000       3.08329000       0.73540477       0.07658269      -0.97787107
O       -0.73297000       4.23512000       0.88892000      -0.26367077       1.98598401      -1.33524333
O        1.03556000       2.66709000       3.51532000       3.15350777      -0.47613189       3.12403086
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.48015398 magmom=20.0032131 free_energy=-108.48015398 stress="-0.05926902482984977 0.061643785346639855 -0.015179693483391519 0.061643785346639855 -0.06094997940441799 -0.003802280616826237 -0.015179693483391519 -0.003802280616826237 -0.03927100647529309" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53136000       2.99005000       0.01344000       0.30270580      -0.47376421      -0.59147954
Cr      -0.10680000       3.08211000       2.20605000      -0.73108502      -0.61908911      -0.08674496
Cr       1.44656000      -0.05776000       1.01908000      -1.04749614       1.71986949      -1.29740594
Cr       2.91106000      -1.51813000       3.32185000       2.15351172       1.05327477      -1.34389392
Cr       4.47299000       0.01148000       1.21389000      -1.87140779       0.11009985      -0.17944473
Cr       2.68211000       1.43081000       3.21042000       1.95104967      -2.07726454      -0.56033138
O        0.12685000       1.38116000       0.82131000      -1.60412466      -0.08117255       1.24663779
O       -1.85247000       2.89170000       3.33846000      -0.57364741       1.08834239       0.11491358
O       -1.62095000       0.20931000       3.19215000       0.00007458      -1.40081827      -1.32474261
O        2.85251000       1.30277000       1.12945000       1.05973502      -0.03374482       0.99681666
O        1.83970000       4.29337000       1.23012000       2.54952683      -1.60376265       2.05884188
O        1.41026000      -0.15157000       3.00123000       0.40723202      -0.75522451       0.72206967
O       -0.78227000       4.34129000       0.87612000       0.35766765      -0.09870028       0.47285491
O        1.24534000       2.47598000       3.55431000      -2.95374227       3.17195445      -0.22809141
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.98208823 magmom=20.0003354 free_energy=-108.98208823 stress="-0.05443691499907824 0.017961966163025415 -0.014547632313072885 0.017961966163025415 -0.0412648172378075 0.0037925795702635685 -0.014547632313072885 0.0037925795702635685 -0.06791865156892946" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02406000       0.13147000       4.31579000       1.53647615      -0.91518194       0.53465219
Cr      -0.18541000       3.08993000       2.21316000      -1.01934401      -0.00455037      -0.62316762
Cr       1.43708000       0.00674000       0.97509000       0.30772233      -0.07861872       2.04786378
Cr       3.03113000      -1.58903000       3.28900000       0.56770475       1.76097463      -0.05893896
Cr       4.38901000       0.04296000       1.22319000       0.31408857      -2.46674006      -1.17068817
Cr       2.69080000       1.29385000       3.18130000       0.39595266       1.75705602       1.77532474
O       -0.14966000       1.44368000       0.92776000       1.53361336      -0.47581752       0.06779681
O       -1.80210000       3.08002000       3.47494000      -1.32427359      -0.88720746      -1.57818818
O       -1.55216000       0.01356000       3.19945000      -1.39460158       0.60890137      -1.15124129
O        3.02904000       1.26912000       1.20103000      -2.61341584       1.67778472       0.64799991
O        2.04446000       4.28475000       1.28426000       0.32026593       0.88405322       0.70819139
O        1.46258000      -0.22715000       3.06608000       0.39803832      -0.22120269      -0.65121749
O       -0.73463000       4.42080000       0.93578000      -0.38256033       0.08552490      -1.32170943
O        1.09808000       2.71635000       3.52647000       1.36033327      -1.72497611       0.77332231
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.20062457 magmom=19.9996689 free_energy=-109.20062459 stress="-0.05101563026752163 -0.014294284414513908 -0.003888861514462064 -0.014294284414513908 -0.04363413150111546 0.004139264469287155 -0.003888861514462064 0.004139264469287155 -0.07642416475211121" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02388000       0.10314000       4.29319000       0.38334954      -0.54030597       0.39569313
Cr      -0.30161000       3.08317000       2.19798000       0.45945691      -0.26692584       0.03411829
Cr       1.43465000       0.07170000       1.01836000      -0.25692281      -0.55024640       0.87721904
Cr       3.13967000      -1.56339000       3.26163000      -2.53685403       0.29719793       1.22312093
Cr       4.32133000      -0.01705000       1.16349000       0.59306823       0.69504144      -1.65908862
Cr       2.72085000       1.27400000       3.24796000      -0.55595417       2.25913529       1.04877739
O       -0.15401000       1.42891000       1.07308000       1.27123971      -0.79392492      -1.33739434
O       -1.91281000       3.05686000       3.36067000       0.35152477      -1.33202775       1.16587341
O       -1.59049000      -0.01850000       3.07888000       0.72896473       1.55110863       0.99115207
O        2.81354000       1.44007000       1.33378000       0.41975255      -0.92735422      -0.94679646
O        2.33754000       4.28677000       1.35047000      -1.81832544       0.62414351      -0.89860176
O        1.51310000      -0.28457000       3.08518000       0.29760775       0.04128422      -0.87935217
O       -0.70102000       4.43166000       0.86605000      -0.20350819       0.02157944      -0.19109194
O        1.08901000       2.73901000       3.51616000       0.86660044      -1.07870536       0.17637104
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.09417962 magmom=20.0000318 free_energy=-109.09417962 stress="-0.060125856887051146 -0.016058397604849135 0.007323467667466791 -0.016058397604849135 -0.05589081374517084 0.011087688073447139 0.007323467667466791 0.011087688073447139 -0.06341156904366184" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09081000       0.03270000       4.30274000      -0.25313754       0.26062504       0.13596379
Cr      -0.39768000       3.03960000       2.18016000       1.41019879      -1.36400571       0.49566513
Cr       1.42534000       0.09096000       1.11442000       0.17243409      -2.43304066      -0.87123182
Cr       3.12838000      -1.51444000       3.28678000       0.16685218       0.33400294      -0.53890129
Cr       4.30376000      -0.03683000       1.02568000       1.01706529       1.42660305       1.63166638
Cr       2.72214000       1.37659000       3.35238000      -0.24318455      -1.05757312      -2.36855101
O        0.02675000       1.35591000       1.00193000      -1.56770509       0.50686696      -1.10372562
O       -1.94247000       2.85736000       3.38639000       0.38698743       2.30210715       1.11213016
O       -1.50264000       0.18168000       3.12332000      -0.87480301      -0.86425309      -0.92613196
O        2.64913000       1.48218000       1.29188000       2.59704924      -0.71844957       0.43233155
O        2.31344000       4.34360000       1.23657000      -1.63195575       0.25409967       0.84717550
O        1.55464000      -0.27359000       3.02697000       0.30818331      -0.05651524       0.74520133
O       -0.68072000       4.38894000       0.87219000      -0.75432993       0.63808201       0.98884424
O        1.19132000       2.62380000       3.46649000      -0.73365447       0.77145058      -0.58043637
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.42856163 magmom=20.0027074 free_energy=-109.42856165 stress="-0.04446842488840292 0.03155920690863198 0.005108183338684254 0.03155920690863198 -0.039965192881186745 0.011317592139714238 0.005108183338684254 0.011317592139714238 -0.04891465184460642" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12692000      -0.03686000       4.33541000      -1.91626584       1.06175884       0.42484149
Cr      -0.43865000       2.88999000       2.18388000      -0.00093336      -1.33529330       0.09871826
Cr       1.42052000      -0.00538000       1.18015000       0.12479284       0.70335665      -0.61931842
Cr       3.10951000      -1.43908000       3.27803000       0.93947130       0.15840325      -2.48665614
Cr       4.33805000       0.02177000       0.94916000      -1.19903413      -0.42502952       1.96165355
Cr       2.72178000       1.45904000       3.35287000       1.24472760      -0.85077813      -1.01451109
O       -0.04021000       1.36980000       0.77288000      -0.13667346       0.53542159       2.28234821
O       -1.86101000       2.99285000       3.58706000      -0.60107426       0.54754390      -1.13038032
O       -1.47433000       0.24845000       3.09903000      -0.53830967      -0.83846857      -0.74319036
O        2.90901000       1.38960000       1.22614000      -0.05861363      -0.55013616       1.08642369
O        2.03527000       4.39575000       1.16540000       1.85561747      -0.21116518       0.91469307
O        1.59934000      -0.18988000       3.14224000       0.52360441       0.14603614      -0.33569280
O       -0.75002000       4.40563000       1.06764000      -0.78345256       0.84651717      -1.78374224
O        1.17386000       2.66978000       3.28903000       0.54614329       0.21183332       1.34481310
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.80361182 magmom=19.9979149 free_energy=-108.80361182 stress="-0.05912489633802052 0.03717592918080359 0.01442240196868063 0.03717592918080359 -0.06675900938848602 -0.01321828076571569 0.01442240196868063 -0.01321828076571569 -0.03422852959408257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.60467000       2.82320000       0.03357000      -1.04397989      -0.05835655      -0.21898722
Cr      -0.47972000       2.67105000       2.20293000      -0.81047136       2.05669672       1.39631046
Cr       1.41629000      -0.08112000       1.20018000      -0.64218871       2.18188180      -0.48046404
Cr       3.13932000      -1.35521000       3.16745000      -0.42219008      -1.39615324       1.63910564
Cr       4.33546000       0.05199000       0.97850000       0.27680288      -1.17540102      -0.03112499
Cr       2.78276000       1.49615000       3.28977000       0.14559624       0.82059691       0.40254046
O       -0.17320000       1.48873000       0.85399000       2.24139615      -2.01797808      -1.67878970
O       -1.81686000       3.23944000       3.57897000      -0.53386578      -1.53400445      -0.25751683
O       -1.48585000       0.13570000       3.01594000       0.51041330       1.33466986       0.41637700
O        3.08411000       1.35977000       1.26426000      -2.85626250       1.66957005       0.92054277
O        2.09142000       4.38197000       1.21344000       0.80711944       0.14884892      -0.05387523
O        1.65189000      -0.06329000       3.26142000      -0.33256728      -0.55859967      -1.83059301
O       -0.86373000       4.47743000       1.03805000       1.75288600      -0.99527198      -1.05473871
O        1.18128000       2.80481000       3.28210000       0.90731158      -0.47649929       0.83121340
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.02791574 magmom=20.0060815 free_energy=-109.02791574 stress="-0.038150125527034534 -0.00976773713761084 0.009737407578828653 -0.00976773713761084 -0.04504965411613626 -0.00217126247807997 0.009737407578828653 -0.00217126247807997 -0.10429915284655739" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48425000       2.81205000       0.07066000       0.10016660       0.54145580      -1.81849096
Cr      -0.53854000       2.56082000       2.27471000       1.87483811       0.70934026      -1.31933424
Cr       1.38004000      -0.03584000       1.18438000       1.39071490       1.07499590      -1.04628518
Cr       3.15165000      -1.34389000       3.14062000      -0.43759616      -0.51824311       2.27620550
Cr       4.35056000       0.02464000       1.01577000       1.06232318       0.51535654      -0.65036908
Cr       2.84171000       1.56473000       3.25496000      -1.81827604      -0.91607153       1.28886145
O        0.01837000       1.36124000       0.85040000      -0.11922328       0.07460416       0.01142278
O       -1.84920000       3.17768000       3.44143000      -0.56665192       0.13745841       1.51904068
O       -1.41444000       0.20594000       3.02978000      -0.72375468       1.07169305      -0.57249957
O        2.80106000       1.56988000       1.37974000       1.59219335      -2.70012761      -0.29526624
O        2.34622000       4.36956000       1.22728000      -1.64246651       1.18605628      -0.16140432
O        1.60857000      -0.03319000       3.10162000       0.06511184      -0.60836206       0.30033754
O       -0.68386000       4.39361000       0.85040000      -0.07862623      -0.15739140       0.99853568
O        1.26191000       2.85634000       3.40430000      -0.69875317      -0.41076471      -0.53075402
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.01826537 magmom=20.0019354 free_energy=-109.01826537 stress="-0.061482698618342 -0.009327989184199685 0.0004441976500971796 -0.009327989184199685 -0.0484222124844527 -0.00893589336789304 0.0004441976500971796 -0.00893589336789304 -0.08367561619583459" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.38236000       2.83004000       0.03221000       0.92554519       0.17788291      -0.25303828
Cr      -0.49409000       2.52812000       2.29632000       0.52519393       0.71494314      -1.16325731
Cr       1.43371000       0.04517000       1.11541000       2.18751594      -2.03905093       0.02197200
Cr       3.12663000      -1.37082000       3.23441000      -0.49442988       0.90645686      -0.82072136
Cr       4.42551000       0.01979000       1.01260000      -0.16468904       0.02136503       0.55291195
Cr       2.78621000       1.57324000       3.28368000      -1.98597597      -2.42533510      -0.53610669
O        0.10327000       1.31536000       0.86566000      -1.55231969       1.62055557      -0.11420031
O       -1.90087000       3.07538000       3.47007000       0.41191582       1.68263114       0.13188776
O       -1.42191000       0.44734000       3.01533000      -0.48076237      -0.88100557      -0.65227775
O        2.73795000       1.45716000       1.33255000       2.11085312       0.02263085      -0.48450855
O        2.33275000       4.48325000       1.19997000      -0.76230982      -0.34744240       0.79025851
O        1.52653000      -0.12311000       3.02453000       0.48732972       0.13297181       1.53065974
O       -0.46526000       4.27916000       0.84342000      -1.57374422       0.45287700       1.12494655
O        1.20654000       2.82675000       3.42442000       0.36587726      -0.03948032      -0.12852625
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.46432462 magmom=20.0020926 free_energy=-108.46432558 stress="-0.045140739860432745 0.024249933050826854 -0.00657825503329177 0.024249933050826854 -0.02715455672313852 -0.028050482722410227 -0.00657825503329177 -0.028050482722410227 -0.06390506261967295" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.21298000      -0.01560000       4.32957000       0.93542830      -0.48455575       0.64535846
Cr      -0.40537000       2.56953000       2.26594000      -2.53592058       2.51681453       1.30288847
Cr       1.60004000       0.02892000       1.04765000      -2.39431043      -0.11403860       0.76966021
Cr       3.06393000      -1.35506000       3.29948000       0.32708550       0.00045476      -1.45908021
Cr       4.49687000       0.01230000       1.03158000      -1.32397281      -0.60259886       1.00764552
Cr       2.61540000       1.44972000       3.30286000       1.75559741       0.77115338       0.02100175
O       -0.05104000       1.49719000       0.87045000       2.28385036      -2.56025070      -1.78058957
O       -1.87705000       3.17278000       3.49556000      -0.50341290      -0.30376604      -0.55849165
O       -1.46289000       0.54842000       2.96906000      -0.11694069      -1.36944991       0.30573551
O        3.00075000       1.37248000       1.11068000      -0.51164417       0.63167888       1.06588076
O        2.19776000       4.49232000       1.27262000       1.75697928      -1.02067644       0.13042610
O        1.50594000      -0.16774000       3.20557000       0.27988915       0.81837209      -1.14567643
O       -0.49589000       4.25837000       1.03639000      -1.11648772       1.61455389      -1.23409477
O        1.16509000       2.75702000       3.39690000       1.16385930       0.10230877       0.92933585
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.18432389 magmom=19.9996227 free_energy=-108.184324 stress="-0.05899745098814514 0.04253873688156117 -0.009570789113339683 0.04253873688156117 -0.04175927585099362 -0.009495391108880173 -0.009570789113339683 -0.009495391108880173 -0.05794361026416995" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.18734000      -0.00475000       4.30387000       1.12047515      -1.24348681       1.45915481
Cr      -0.42896000       2.75222000       2.26492000       0.14455871      -0.39395968      -1.56796920
Cr       1.65447000      -0.01512000       1.01116000      -1.85104538       0.84090923      -0.36696842
Cr       3.01529000      -1.34425000       3.27208000       1.66669529      -1.64226083       0.12937116
Cr       4.48767000      -0.02351000       1.10850000      -0.78430724       1.62074524      -0.27602621
Cr       2.53754000       1.36563000       3.32484000       4.18396627       3.39905090       0.06970181
O        0.12042000       1.36556000       0.79950000       0.14132718       0.60498385       1.80025646
O       -1.86590000       3.18583000       3.39728000      -1.00961574      -0.54828742       0.90493599
O       -1.46688000       0.40452000       3.02542000      -2.14053423      -0.39114913      -0.35823044
O        3.13673000       1.44046000       1.02571000      -1.38693509      -1.00809695       1.69374060
O        2.31393000       4.34130000       1.32246000      -0.64221855       1.08751013      -0.37327533
O        1.48754000      -0.09387000       3.22889000      -0.46709695      -1.70712870      -1.92728026
O       -0.70965000       4.45840000       1.07044000       1.99582746      -1.49603486      -1.15231115
O        1.22392000       2.69731000       3.46062000      -0.97109689       0.87720502      -0.03509982
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.39935638 magmom=20.0024324 free_energy=-109.39935638 stress="-0.036894323779662036 0.009608874371361693 0.001501595690991124 0.009608874371361693 -0.049749885789870094 0.009544476352653567 0.001501595690991124 0.009544476352653567 -0.046369153229126936" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07783000      -0.05940000       4.34335000       0.09822135      -0.19533577      -0.56691685
Cr      -0.46150000       2.96087000       2.18719000       1.79394429      -1.30485805      -0.35749573
Cr       1.59631000      -0.01937000       0.96289000      -0.21594269      -0.20089386       1.34493109
Cr       3.04287000      -1.43228000       3.24166000      -0.66148968      -0.91981182       0.84514762
Cr       4.44039000       0.01609000       1.17964000       0.51526982       0.59697922      -0.89580882
Cr       2.65126000       1.43931000       3.34395000      -0.73372791      -0.22677962      -2.06313662
O        0.27077000       1.34501000       1.05980000      -2.30194904       0.87590695      -1.00980990
O       -1.94733000       3.04525000       3.36378000      -0.66024770       0.14600056       0.66131823
O       -1.68653000       0.12612000       3.14669000       1.12280768       1.13857415       0.02320641
O        2.97119000       1.39107000       1.19287000       0.57773591      -0.66471813       1.15021185
O        2.36666000       4.31980000       1.25605000      -0.98935313       0.85883791       0.33874048
O        1.41160000      -0.20013000       2.96699000       1.42273900       0.20817281       0.64432912
O       -0.64253000       4.43064000       0.92614000      -0.27234373      -0.01922917      -0.38669389
O        1.12960000       2.77305000       3.50476000       0.30433584      -0.29284519       0.27197699
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.92738491 magmom=20.0003627 free_energy=-108.92738491 stress="-0.043542364914279 -0.023038750984625527 0.0032052105325540404 -0.023038750984625527 -0.0654604114293165 0.02331858523272243 0.0032052105325540404 0.02331858523272243 -0.07591856780388241" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.56968000       2.77049000       0.00591000      -0.06807681       0.65559275      -0.29843846
Cr      -0.40385000       3.06242000       2.12002000       0.97559398      -1.05756864       1.70375198
Cr       1.52370000      -0.01674000       0.99135000      -0.45004363      -0.19643559       1.09013812
Cr       3.03901000      -1.53736000       3.25144000      -0.40132805       2.10142835      -0.12370227
Cr       4.41461000       0.08048000       1.19309000      -0.27922159      -1.30652969       0.08467733
Cr       2.70988000       1.47094000       3.27187000      -1.78903272      -2.53343161      -0.11683708
O        0.03198000       1.44411000       1.14340000       0.09836337      -1.36010251      -1.90832663
O       -2.00034000       2.97959000       3.38816000       1.09970028       1.38884328       0.07029150
O       -1.66100000       0.05801000       3.25905000       1.06985165       0.78386289      -1.08174840
O        2.87323000       1.31689000       1.39601000       0.94873501       0.85257813      -2.01063652
O        2.26922000       4.38488000       1.19068000       0.11290426      -0.30747252       0.60048391
O        1.50234000      -0.25334000       2.91990000      -0.13183219       0.18818879       1.64586025
O       -0.58466000       4.34980000       0.79922000      -1.56434106       1.83636103       0.25833049
O        1.06197000       2.81617000       3.53761000       0.37872751      -1.04531465       0.08615578
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.37502148 magmom=20.0003128 free_energy=-109.3750216 stress="-0.04408936207964919 0.0024071330338563384 0.0012307264907007686 0.0024071330338563384 -0.04692391121801595 0.01947831812351459 0.0012307264907007686 0.01947831812351459 -0.045969380163108677" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63622000       2.76995000       0.00751000      -1.35976255       1.71059312       0.28717386
Cr      -0.30134000       3.07690000       2.13895000      -0.04431316      -0.43724028       0.14658005
Cr       1.45048000      -0.02161000       1.07770000      -0.15942334       0.48322929      -0.92341178
Cr       3.01692000      -1.52365000       3.25267000       1.55698844       0.65876462       0.44946105
Cr       4.36923000       0.05968000       1.19674000      -0.90592141      -1.53336996      -0.98390611
Cr       2.67875000       1.38071000       3.20387000       1.11935338       1.77451335       1.64544344
O       -0.19285000       1.42616000       0.93682000       2.21019028       0.27107367      -0.46016284
O       -1.86282000       3.08825000       3.39344000      -1.19171955      -0.58593717       0.63838439
O       -1.43556000       0.14538000       3.18366000      -1.86114281       0.04215863      -0.94983564
O        2.90617000       1.38054000       1.24720000      -0.27370632      -1.35345204       1.30015760
O        2.20595000       4.36097000       1.21673000      -0.47718108       0.16477031       0.90127616
O        1.55677000      -0.22035000       3.17315000       0.39207889      -0.14719275      -1.93009109
O       -0.75233000       4.48598000       0.83554000       0.32155192      -0.65875547       0.40403544
O        1.07641000       2.71595000       3.50528000       0.67300734      -0.38915532      -0.52510453
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.42170792 magmom=19.9997862 free_energy=-109.42170792 stress="-0.046437232034287346 0.037184321077068615 -0.01446491962816688 0.037184321077068615 -0.03671997684663756 0.007272690375535407 -0.01446491962816688 0.007272690375535407 -0.0689514250837332" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.61626000       2.86388000       0.01880000      -0.90040537       0.47708631       0.16638440
Cr      -0.21272000       3.05050000       2.17988000      -1.23222824      -0.69843130      -0.55491216
Cr       1.36566000      -0.00547000       1.11260000       0.41195138       0.58929894      -0.72506665
Cr       3.07847000      -1.46507000       3.26599000       0.89249403      -0.55232551      -0.64381356
Cr       4.27840000      -0.03756000       1.13169000       0.63631104       0.69695439      -2.12884335
Cr       2.70550000       1.38160000       3.23532000       1.63532738       1.45328543       0.50958202
O       -0.07742000       1.44723000       0.75084000       0.12017301      -0.57436938       2.81707801
O       -1.85417000       3.08332000       3.44377000      -0.59559202      -0.95168437       0.05728049
O       -1.44336000       0.21226000       3.00408000      -0.90764233      -0.35096344       1.34913487
O        2.87233000       1.29908000       1.18864000      -0.49324965       0.16668047       1.10035361
O        2.10642000       4.32135000       1.33883000      -0.31520006       0.39167733      -0.98773436
O        1.58982000      -0.18301000       3.19506000      -0.38292711      -0.51874169      -1.34102088
O       -0.82544000       4.46469000       1.01803000       0.54731686      -0.51073734      -1.39965668
O        1.19432000       2.58877000       3.33537000       0.58367108       0.38227014       1.78123425
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.81344875 magmom=20.0007271 free_energy=-108.81344875 stress="-0.06274685739066803 0.021416242126206415 -0.007294254146689893 0.021416242126206415 -0.07548471367008978 -0.0012771104218074984 -0.007294254146689893 -0.0012771104218074984 -0.04266323990913649" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53354000       3.00297000       0.03442000       1.01795163      -1.74537389      -1.28170024
Cr      -0.17699000       2.96154000       2.21172000      -0.22797960      -0.24056874       0.34054830
Cr       1.29753000       0.03669000       1.10780000       1.78165933      -1.59436372       1.16405433
Cr       3.20142000      -1.42521000       3.26962000      -2.01076309      -0.72873479       0.37096553
Cr       4.20805000      -0.11427000       0.94882000       0.91836322       1.27740311       1.68491562
Cr       2.82736000       1.45601000       3.30435000      -2.19528253      -3.33284179      -1.09894427
O        0.06860000       1.42137000       0.99452000      -2.12690791       0.14139685      -1.52063652
O       -1.90993000       2.92314000       3.46565000       1.51755124       2.27120057      -0.06041438
O       -1.59528000       0.16591000       3.03875000       1.54177702      -0.41099888      -0.12971425
O        2.75034000       1.27376000       1.28924000       1.27628405       1.17363031      -0.82678704
O        1.99583000       4.31687000       1.27282000       0.56751937       0.89824042       0.45078637
O        1.51384000      -0.20570000       3.03804000       0.02063846      -0.06591096       1.57421969
O       -0.77868000       4.30611000       1.02080000      -1.14741956       1.28444164      -1.73139839
O        1.32493000       2.61032000       3.37429000      -0.93339163       1.07247987       1.06410525
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.19547043 magmom=20.0016886 free_energy=-108.19547492 stress="-0.04007042073672481 0.0010530608224438773 0.0013097006239875348 0.0010530608224438773 -0.050847348783133614 -0.013290927057322346 0.0013097006239875348 -0.013290927057322346 -0.08681731982866293" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.05026000       0.16829000       4.34635000       1.39046797      -1.62414864       0.34777312
Cr      -0.16943000       2.85084000       2.24843000      -1.51462589       1.86609519      -0.80574744
Cr       1.32406000       0.02781000       1.16922000       0.04715164       0.19391104      -0.19679186
Cr       3.22378000      -1.43036000       3.29609000      -1.58456053      -0.59399218       0.50202770
Cr       4.18250000      -0.11772000       0.86603000       1.19701996       2.29254867       4.14299843
Cr       2.86297000       1.38423000       3.30135000      -1.32503713       0.60891776      -1.63991311
O       -0.10921000       1.38118000       1.08861000       0.30837089      -1.59002613      -2.41350426
O       -1.75983000       3.03864000       3.45431000      -1.16360703      -0.07543412       0.70291092
O       -1.49642000       0.07472000       3.13455000      -0.83602413       0.99499107      -1.61535676
O        2.79665000       1.45717000       1.25847000       0.30883009      -1.29593722       0.52205275
O        2.01590000       4.41792000       1.18222000      -0.05114903       0.37061668       1.55025225
O        1.39345000      -0.20431000       3.13639000       2.00638295       0.05970645      -0.77783396
O       -0.83872000       4.29682000       0.80192000       0.34104073       0.20184805       1.72043670
O        1.27982000       2.84062000       3.46199000       0.87573951      -1.40909661      -2.03930447
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.31352325 magmom=20.0025169 free_energy=-108.31352349 stress="-0.073889120951527 -0.022705638690343324 -0.008142185424904186 -0.022705638690343324 -0.05378893993408096 -0.0017669704845564554 -0.008142185424904186 -0.0017669704845564554 -0.0622862689384214" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01549000       0.11065000       4.30880000       0.15156586       0.09063956       1.69768664
Cr      -0.27012000       2.79752000       2.23186000      -2.32173262       0.47733582      -1.97128714
Cr       1.36838000       0.01609000       1.23488000      -0.59277269      -0.11705268      -2.30769089
Cr       3.15640000      -1.46720000       3.35023000       0.67684337       1.13877932      -2.60098818
Cr       4.23181000       0.00710000       0.99217000       0.00963620      -1.43414788      -0.25054669
Cr       2.80442000       1.31982000       3.21304000       0.01866672       3.45681714       1.39510941
O       -0.25915000       1.22746000       0.84613000       3.32086308       2.43981645       1.62910226
O       -1.70928000       3.19032000       3.50929000      -1.37279596      -1.09099478       0.68370971
O       -1.43911000       0.14402000       3.03589000      -1.34935474       0.02355095      -0.58959435
O        2.90088000       1.49889000       1.24662000      -0.47863266      -0.98253769       0.56218782
O        2.10169000       4.51592000       1.27502000      -0.11815608      -1.25966193       0.08889627
O        1.52836000      -0.14378000       3.19786000       0.76920066      -0.61480282      -0.96887327
O       -0.79515000       4.34700000       0.84340000       0.38159838       0.29212292       0.38014054
O        1.27257000       2.84499000       3.22787000       0.90507048      -2.41986436       2.25214785
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.21338172 magmom=20.00291 free_energy=-109.21338172 stress="-0.06180986241114424 0.03132862709913786 0.007890185093131526 0.03132862709913786 -0.04975401657664733 -0.009940868424385888 0.007890185093131526 -0.009940868424385888 -0.06888806301198526" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.04230000       0.03894000       4.35382000      -0.15450511       0.17623429      -0.24198129
Cr      -0.49068000       2.78214000       2.13210000       0.34469315       0.39415980       1.09610012
Cr       1.39412000      -0.00821000       1.18248000       1.79223697       0.26579001      -0.64936127
Cr       3.11483000      -1.46472000       3.27748000       0.55101697      -0.52815164      -0.39916043
Cr       4.32230000       0.09056000       1.11363000       1.01756159      -1.99783391      -2.44034475
Cr       2.74524000       1.43830000       3.19540000       1.73201717       0.50381740       2.11959834
O        0.03776000       1.41641000       0.87572000      -0.73264578      -0.47717702       0.07081704
O       -1.85406000       3.11597000       3.57549000      -0.09385943      -0.77614296      -1.02137437
O       -1.54396000       0.20395000       2.96549000       1.12468679      -0.13326653       2.20795720
O        2.89886000       1.40839000       1.25567000      -0.13393119       0.21724835      -0.41392402
O        2.21770000       4.39355000       1.33495000      -0.19908152       0.33598883      -0.99315431
O        1.70682000      -0.15751000       3.14077000      -2.07965510      -0.47131712       0.29984090
O       -0.65136000       4.42188000       1.02792000      -1.40741189       0.01873791      -1.08126717
O        1.26772000       2.51984000       3.25325000      -1.76112260       2.47191258       1.44625403
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.24973518 magmom=20.009409 free_energy=-109.24973711 stress="-0.043664593635792996 0.014696805560826719 0.019921945068741825 0.014696805560826719 -0.04755038627511597 -0.009111849630355062 0.019921945068741825 -0.009111849630355062 -0.03551902146817296" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62265000       2.88433000       0.02134000      -0.15909907       0.03722848      -0.59090084
Cr      -0.61945000       2.79876000       2.10361000       1.54554195       0.05756481       0.75255149
Cr       1.48254000      -0.02293000       1.11488000       0.33202220       0.27703231       0.50383131
Cr       3.10397000      -1.46888000       3.19332000      -0.43593264       0.58529198       1.62062092
Cr       4.41474000       0.05652000       1.11107000      -0.23690975      -0.24968855      -0.06699716
Cr       2.74692000       1.53383000       3.27001000      -1.90712839      -3.68981509       0.27809136
O        0.15630000       1.50821000       0.97310000      -0.76253771      -2.04889305      -1.76981411
O       -1.94883000       2.97670000       3.45437000       0.28758985       2.08468024       0.76128025
O       -1.47725000       0.20241000       3.18589000      -0.92777181       0.18185122      -1.46982739
O        2.87743000       1.37233000       1.21645000       1.03167524      -0.37019058       1.18622378
O        2.27791000       4.34608000       1.22665000      -0.61527142       1.21071695       0.94904443
O        1.56192000      -0.21207000       3.13292000       0.96724139       0.35044407      -0.85555457
O       -0.69661000       4.44311000       1.04309000      -0.10520957       0.33023930      -1.24350494
O        1.07229000       2.61721000       3.46473000       0.98578974       1.24353791      -0.05504453
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.67957943 magmom=20.0027544 free_energy=-109.67957943 stress="-0.04615492633582187 0.009969385280397172 0.018981240073778514 0.009969385280397172 -0.047718251488294346 -0.0023007126693431776 0.018981240073778514 -0.0023007126693431776 -0.061598233727016574" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63517000       2.86761000       0.01555000      -0.77394970       0.05926625       0.31846732
Cr      -0.61308000       2.81288000       2.11551000       1.53786005      -0.84313608      -0.36140069
Cr       1.56485000      -0.01530000       1.08715000      -1.43605683       0.58634358      -0.86082357
Cr       3.07573000      -1.44209000       3.21633000      -0.09273719       0.71115618       0.74739175
Cr       4.46370000       0.01574000       1.10264000      -1.64043789       0.30732283       1.10659336
Cr       2.68297000       1.44022000       3.33817000       0.37321925       0.39364510      -1.23533450
O        0.03218000       1.32569000       0.85126000       0.57338491       1.11384709       0.79792565
O       -1.96958000       3.10762000       3.39873000      -0.13021086      -0.67057720       0.93701781
O       -1.49342000       0.19171000       3.20151000      -0.57386019       0.24654581      -0.88568373
O        2.97926000       1.35658000       1.30753000      -0.09706591       0.36449833       0.36430788
O        2.25066000       4.42594000       1.22404000       0.15168376      -0.46720998       0.48316870
O        1.52832000      -0.16256000       3.05472000       0.65404136       0.18669099      -0.12128001
O       -0.72586000       4.41974000       0.90937000       0.86916386      -0.40032838       0.28534774
O        1.03320000       2.92257000       3.55147000       0.58496538      -1.58806454      -1.57569771
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.29622814 magmom=20.0037328 free_energy=-109.29622815 stress="-0.03702248265261917 -0.021805277842935806 0.01007196593715269 -0.021805277842935806 -0.05437921922521665 -0.002063438984866256 0.01007196593715269 -0.002063438984866256 -0.0755457160144825" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59619000       2.86487000       0.01683000      -0.74540853       0.01520199       0.10309285
Cr      -0.50486000       2.79142000       2.11978000      -0.23473844      -0.30045221       0.90086238
Cr       1.56928000       0.03062000       1.01074000      -1.08290103      -0.03512099       0.26758963
Cr       3.04478000      -1.37427000       3.29616000       0.70711927      -0.93143152      -0.60021526
Cr       4.41641000      -0.01557000       1.14163000      -0.05066002      -0.10641810      -0.96701491
Cr       2.63267000       1.35135000       3.33650000       2.05708002       4.16148288      -1.06917382
O       -0.05286000       1.34248000       0.90322000       1.39047925       0.16747242      -0.00459157
O       -1.93154000       3.14754000       3.44608000      -0.01229289      -0.46589379      -0.09519961
O       -1.54487000       0.17303000       3.09512000       0.63357010       0.21775076       0.93183821
O        3.03482000       1.43861000       1.38787000      -0.67405741      -0.25058636      -1.25872307
O        2.25935000       4.41320000       1.29176000      -0.08836357      -0.03478026      -0.46722367
O        1.54434000      -0.07799000       3.00069000      -1.29733475      -1.57361208       0.30360540
O       -0.59491000       4.30960000       0.87326000      -0.83094795       1.39177915       0.46839911
O        1.09870000       2.94043000       3.35016000       0.22845596      -2.25539190       1.48675432
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.93585409 magmom=19.9992354 free_energy=-107.93592438 stress="-0.05210515275046011 0.03142291285268017 -0.005402735508447136 0.03142291285268017 -0.046053391980690174 -0.00678807497176531 -0.005402735508447136 -0.00678807497176531 -0.0701243641689769" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48531000       2.88131000       0.02316000       0.56485962       0.76060933      -0.75639773
Cr      -0.33058000       2.77197000       2.19228000      -0.85130082       1.93305728       0.41139422
Cr       1.49287000       0.10138000       0.92303000       0.33906504      -1.62991855       3.39026950
Cr       3.03603000      -1.33473000       3.37593000      -0.28206122      -1.66714571      -1.40487433
Cr       4.32323000      -0.06893000       1.15918000       2.37298337       0.70007497      -1.07487780
Cr       2.68357000       1.45667000       3.24316000       1.90673198      -1.54086599       0.24853760
O        0.08536000       1.46408000       1.00866000      -0.55019626      -2.45306009      -2.69087662
O       -1.80974000       3.02751000       3.41118000      -1.53057216       0.70447917      -0.37028667
O       -1.49057000       0.15332000       3.13515000      -1.71942781       0.64050640      -0.90152709
O        2.91553000       1.52641000       1.20919000       0.80331072      -2.65744157       1.47431164
O        2.28292000       4.34270000       1.28560000      -1.21000854       1.08560392       0.82982692
O        1.37461000      -0.18071000       3.06869000       2.15375677       0.23521378      -0.43658562
O       -0.54006000       4.34341000       0.98524000      -1.38410092       0.97765928      -1.46206675
O        1.20313000       2.49269000       3.26040000      -0.61303976       2.91122778       2.74315271
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.51646073 magmom=20.001956 free_energy=-108.51646073 stress="-0.08791739825142754 0.02675652948212088 -0.028897662816276693 0.02675652948212088 -0.056247711975101616 -0.0066518028047860035 -0.028897662816276693 -0.0066518028047860035 -0.05648600929204123" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.40095000       2.93282000       0.00034000       1.60798104      -0.36956417       0.27469840
Cr      -0.15387000       2.85146000       2.28674000      -1.05946796       1.43334938      -2.33351812
Cr       1.42442000       0.06961000       0.99796000       0.82145190      -2.74243164       1.14398250
Cr       3.00680000      -1.38526000       3.37400000      -0.04432800      -0.81941341      -2.54784312
Cr       4.33794000      -0.10208000       1.11580000       0.24408581       0.65687944       0.21832259
Cr       2.83921000       1.52749000       3.13744000      -2.83745006      -2.08674489       1.15580838
O        0.06744000       1.33784000       0.83154000      -1.48120492       1.03074034       2.02209526
O       -1.84224000       2.98711000       3.27719000      -0.20091464       1.76201994       1.30613624
O       -1.61693000       0.20617000       3.12514000       0.22780845      -0.54646269      -0.96459818
O        2.84711000       1.30708000       1.13257000       1.20550801       0.94783932       0.86200224
O        2.13977000       4.38012000       1.31931000      -0.45499210       0.05901027       0.43129969
O        1.44759000      -0.26417000       3.16961000       0.34674484       0.92168956      -0.90267688
O       -0.69876000       4.48242000       0.94693000       0.78823920      -1.69438424      -0.08944030
O        1.14091000       2.45210000       3.57630000       0.83653843       1.44747279      -0.57626870
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.98727293 magmom=20.001223 free_energy=-108.98727293 stress="-0.05703927617191704 0.017142522224725752 -0.03362006270763329 0.017142522224725752 -0.0388934845952784 -0.004231772216607793 -0.03362006270763329 -0.004231772216607793 -0.0763500361270532" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12774000       0.07235000       4.34540000       1.17789966      -0.96751624       0.01696061
Cr      -0.08028000       2.98106000       2.25922000      -3.00066368       0.72531361      -2.49628481
Cr       1.40034000      -0.06001000       1.11936000      -0.59970400       1.82109530      -0.59870157
Cr       2.98320000      -1.45890000       3.27839000       0.86321095       0.36579500       1.49109957
Cr       4.37172000      -0.09897000       1.11297000      -0.81817624       0.25278271       0.86375258
Cr       2.86902000       1.49042000       3.10688000      -2.19663747      -0.05560702       2.05708964
O       -0.15999000       1.36158000       0.95076000       1.42979265      -0.37155593      -0.10671922
O       -1.88129000       3.13224000       3.32535000      -0.33211739      -0.62501646       0.81693372
O       -1.62700000       0.13350000       3.04461000       0.81902836      -0.37323713       0.64389949
O        2.90380000       1.26654000       1.19352000      -0.61350652       0.85677616      -0.28643007
O        2.00970000       4.35664000       1.32571000       0.99283423      -0.84372622      -0.34655176
O        1.51715000      -0.16527000       3.16751000      -0.48144282       0.50088710      -0.83992963
O       -0.70768000       4.34682000       0.91323000       0.15963697      -0.09465322      -0.61162761
O        1.08837000       2.73141000       3.61482000       2.59984530      -1.19133765      -0.60349095
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.01806948 magmom=20.0048322 free_energy=-109.01806951 stress="-0.042525989079767755 -0.017445417869125856 -0.018257203506935608 -0.017445417869125856 -0.052282756490463454 0.015101883965775567 -0.018257203506935608 0.015101883965775567 -0.07273378939446325" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.05181000       0.03115000       4.33722000       1.01506692      -0.99643523      -0.05176733
Cr      -0.16984000       3.08817000       2.14972000      -0.18592376      -1.99131470       1.66563507
Cr       1.36762000      -0.07890000       1.17362000       0.70472540       1.90261620      -2.31980455
Cr       3.02148000      -1.47770000       3.26322000       1.47313959       1.37234050       1.38729741
Cr       4.35446000      -0.07120000       1.15096000      -0.49153253       0.18393770      -1.44182011
Cr       2.78405000       1.45567000       3.17787000       0.38347320       0.21168294       0.61282008
O       -0.13412000       1.35434000       1.08438000       0.74896764      -0.52199274      -1.17184818
O       -1.90406000       3.11429000       3.46415000       0.05522586      -0.83779695      -0.09686951
O       -1.49896000       0.01309000       3.09325000      -1.64676887       1.14448934      -0.60879671
O        2.85747000       1.38678000       1.21266000       0.35309091      -1.18982832       0.47002896
O        2.08465000       4.24376000       1.25838000      -0.13433862       1.86376619       1.20461628
O        1.46743000      -0.01988000       3.07895000       0.69378189      -1.72017101       0.27164203
O       -0.66557000       4.24672000       0.82345000      -1.43709046       2.16543479      -0.95331192
O        1.29468000       2.75532000       3.42155000      -1.53181718      -1.58672871       1.03217847
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.8019604 magmom=20.0021611 free_energy=-109.8019604 stress="-0.04626804243528755 0.005072698549265961 0.004299418272974465 0.005072698549265961 -0.04866272757810548 0.014639391285268219 0.004299418272974465 0.014639391285268219 -0.06016076148450562" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05889000      -0.06140000       4.33376000      -0.90010811       0.95959897       0.69364347
Cr      -0.29310000       3.07593000       2.10115000       0.53262739      -0.95609701       0.96541061
Cr       1.37934000       0.01036000       1.10320000       1.67532372      -0.78561410       0.26368879
Cr       3.12885000      -1.44586000       3.33282000      -0.97439238      -1.20317278      -0.53199176
Cr       4.31061000      -0.02443000       1.10792000      -0.22172068       0.50281649      -0.68515284
Cr       2.71992000       1.42891000       3.26794000       0.10195308      -0.46675752      -1.33317298
O        0.00619000       1.32965000       1.02256000      -1.19672226       0.90144144      -0.86868605
O       -1.88806000       2.93778000       3.52178000       0.16372249       1.21890603      -1.14927608
O       -1.56520000       0.10326000       3.11773000       0.38424688       0.48994018      -0.16923910
O        2.83830000       1.35909000       1.26681000       0.69368968      -0.54521345       0.22247411
O        2.20731000       4.36224000       1.29596000      -0.65881990      -0.17503745       0.16843388
O        1.49618000      -0.16447000       3.07406000       0.98236803      -0.91383316      -0.11602224
O       -0.79312000       4.43620000       0.78334000       0.22781358      -0.66488211       1.94956284
O        1.20462000       2.61267000       3.37345000      -0.80998151       1.63790447       0.59032734
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.82365875 magmom=20.0041109 free_energy=-108.82365875 stress="-0.05850459217361213 0.02430678753167336 0.001412076278375813 0.02430678753167336 -0.04997583144111748 0.012997626659663714 0.001412076278375813 0.012997626659663714 -0.056505896606327516" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.67210000       2.76889000       0.00375000      -1.21177306       1.71305593       0.26624293
Cr      -0.39201000       2.98626000       2.10982000       0.33325402      -0.42546139       0.02805503
Cr       1.46826000       0.06501000       1.03082000      -0.93598110      -2.17532882       1.29222452
Cr       3.19853000      -1.46549000       3.36108000      -0.77104334       0.15330536      -3.43559080
Cr       4.26167000       0.04633000       1.02883000       1.62047939      -0.41986240       1.26589217
Cr       2.65976000       1.39263000       3.30602000      -0.15081090       0.19329187       0.44664118
O       -0.03051000       1.44876000       0.85489000       0.47046971      -0.63718083       1.47876791
O       -1.86253000       2.93457000       3.38541000      -1.15075952       0.74771069       1.15904914
O       -1.55243000       0.24460000       3.14503000       0.48476791      -0.90616703      -0.06678289
O        2.88596000       1.31184000       1.30944000      -0.67298014       1.44505623       0.00403847
O        2.24752000       4.43863000       1.31204000      -0.72439813      -1.14747690      -0.59131791
O        1.61014000      -0.40797000       3.13981000      -0.52549223       2.21755945      -0.41137560
O       -0.82936000       4.51466000       1.04946000       0.63459284       0.16343092      -2.19834473
O        0.97432000       2.72992000       3.41634000       2.59967456      -0.92193307       0.76250057
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.98864788 magmom=20.0066287 free_energy=-108.98864933 stress="-0.04787997505025134 0.015837294621943845 0.012351437502638661 0.015837294621943845 -0.05526316426698916 -0.0004050475843767849 0.012351437502638661 -0.0004050475843767849 -0.045774949620335896" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.66698000       2.82352000       0.04441000      -1.21215445       1.29573751      -1.27243257
Cr      -0.47693000       2.85646000       2.14821000       0.41973656       0.45893600       0.61248329
Cr       1.52392000      -0.00485000       1.03574000      -1.56281405       0.33819220       0.63132493
Cr       3.20654000      -1.46282000       3.20364000      -2.04045370       1.24539734       0.68232801
Cr       4.29299000       0.10029000       1.02918000       1.45215989      -0.30559786       1.96691040
Cr       2.59346000       1.36731000       3.36654000       2.13237334       1.79962852      -0.11165511
O       -0.04906000       1.50342000       0.90392000       0.89672064      -1.84864365      -1.20674661
O       -1.96673000       3.07627000       3.36340000       0.97542377      -1.44550417       1.38072065
O       -1.42677000       0.18513000       3.17398000      -1.40503777       0.23748626      -1.40366780
O        2.83677000       1.47800000       1.30196000       0.55676043      -2.35251113       1.48832298
O        2.20331000       4.31206000       1.18620000       0.07234254       1.65135243       0.97181665
O        1.61376000      -0.23624000       3.19939000       0.10724403      -0.41927150      -1.63639852
O       -0.68695000       4.50428000       1.03195000      -0.71358825      -0.30157686      -0.99157006
O        1.11819000       2.76164000       3.49258000       0.32128702      -0.35362509      -1.11143624
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.6673393 magmom=20.0004319 free_energy=-108.6673393 stress="-0.06314309276307224 -0.015118915390180185 0.015812421446613087 -0.015118915390180185 -0.06550373935527597 -0.017254305393744014 0.015812421446613087 -0.017254305393744014 -0.10130289342816505" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.58797000       2.95309000       0.03105000       0.03874253      -1.90589509      -0.66020749
Cr      -0.54601000       2.71043000       2.21876000       1.24201354      -0.07066231      -0.39210924
Cr       1.49365000      -0.07940000       1.08392000      -0.46215727       2.61165710       0.24865150
Cr       3.11580000      -1.40952000       3.03338000      -0.04259415      -1.12888071       3.90298317
Cr       4.42890000       0.13857000       1.13023000      -0.82361383      -1.25741760      -1.76867161
Cr       2.64071000       1.43959000       3.42023000       2.07849655      -0.12432602      -3.40851710
O        0.03948000       1.33329000       0.91761000       0.41405151       1.06352942      -0.48841352
O       -1.91995000       3.03971000       3.52027000      -0.08666912       0.17929671      -0.72296947
O       -1.44727000       0.08308000       3.03881000      -0.44324436       1.10676843       0.62286509
O        2.84338000       1.41489000       1.38730000       1.00444148      -0.02441200      -0.73838259
O        2.19608000       4.39255000       1.15370000       0.35490981       1.26902251       0.46499174
O        1.50387000      -0.04311000       3.06776000       0.40508704      -2.11664914      -0.01431279
O       -0.61015000       4.36416000       0.89376000      -1.33862098      -0.33846861       2.52035641
O        1.31629000       2.76328000       3.38220000      -2.34084274       0.73643732       0.43373587
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.64488263 magmom=20.0038535 free_energy=-108.64488288 stress="-0.05185809584995288 0.004855770905030048 0.01659582898964244 0.004855770905030048 -0.050237695129897626 -0.01604848980205516 0.01659582898964244 -0.01604848980205516 -0.0674034822927807" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02859000       0.11178000       4.34031000       0.61149315      -0.88241687       0.56914847
Cr      -0.53316000       2.58202000       2.26104000       1.37403910       0.42711950      -0.90223540
Cr       1.44145000      -0.01983000       1.13178000       1.17465122       0.23538463      -0.82311197
Cr       3.02148000      -1.40980000       3.07629000       0.84774873      -0.15589308       2.12340444
Cr       4.51904000       0.11636000       1.14144000      -2.19661420      -1.95765227      -1.63296067
Cr       2.77288000       1.51394000       3.32379000      -1.79790403      -2.05442502      -0.26913972
O        0.12363000       1.35347000       0.88978000      -0.43201057       0.82413630      -0.69708059
O       -1.82915000       2.97247000       3.53061000      -1.53955801       1.27686704       0.30694840
O       -1.53533000       0.13481000       3.06848000       0.02006629       0.77017769       0.59707639
O        2.96325000       1.36116000       1.31389000      -0.07510047       1.40434986      -0.23271742
O        2.27879000       4.58954000       1.16085000      -0.24451274      -1.37791119       0.16129529
O        1.43348000      -0.17520000       3.01756000       1.15264142       0.37524225       1.19600425
O       -0.72657000       4.19601000       1.05656000       0.14144708       2.08528176      -1.53294123
O        1.16017000       2.83351000       3.32742000       0.96361303      -0.97026061       1.13630977
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.82611982 magmom=20.0025032 free_energy=-108.82612153 stress="-0.05584354061122498 0.03462513692298162 0.0019524203258178014 0.03462513692298162 -0.03823937920739881 -0.022143648852075426 0.0019524203258178014 -0.022143648852075426 -0.03837711268018523" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04830000       0.10264000       4.32241000       0.87816469      -0.56711782       0.76221039
Cr      -0.44703000       2.53085000       2.25970000      -1.55351206       2.45500557       0.48659073
Cr       1.45898000       0.06278000       1.13929000       0.57935707      -0.87238288      -0.89268060
Cr       2.98370000      -1.42612000       3.24051000       1.89739740       0.04064306      -0.58361040
Cr       4.47290000       0.00386000       1.06039000      -1.44082079       0.37677484       0.39311805
Cr       2.80338000       1.47901000       3.20273000      -2.30349584       0.44183970       1.52021526
O        0.08831000       1.48855000       0.82365000       0.15981489      -2.01390043      -0.14326207
O       -1.92595000       3.05544000       3.48358000       0.08995150       0.25902736       0.12858630
O       -1.57961000       0.26427000       3.22535000       0.05928869      -0.83199403      -2.32681325
O        3.02763000       1.53724000       1.17067000      -0.05952497      -1.36326216       1.44036361
O        2.29628000       4.49360000       1.18126000      -1.39738142       0.31603397       1.43231413
O        1.53706000      -0.20024000       3.17462000       0.07484002       1.32389475      -1.53210171
O       -0.77944000       4.33276000       1.04301000       1.43435982       0.75416300      -0.86601588
O        1.10476000       2.75384000       3.42423000       1.58156100      -0.31872493       0.18108545
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.21530988 magmom=20.0037922 free_energy=-109.21530988 stress="-0.061023830806606665 0.02163510703501086 0.0042711750821723135 0.02163510703501086 -0.058505194223340905 -0.009818283312700803 0.0042711750821723135 -0.009818283312700803 -0.060041864780155454" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01362000       0.07084000       4.34583000      -0.27125353       0.26684263      -0.40717276
Cr      -0.41833000       2.63153000       2.26929000      -0.66561660       1.15362542      -0.44910743
Cr       1.51083000       0.09180000       1.08961000      -0.39009398      -0.36071131      -0.30186139
Cr       3.03914000      -1.42752000       3.36283000       0.40680950       1.09869408      -1.92035152
Cr       4.33903000      -0.10886000       1.00769000       0.70763212       1.10360578       2.14551975
Cr       2.72760000       1.46782000       3.17451000       2.16115429       1.40565736       1.73240991
O        0.00393000       1.35216000       0.88953000       0.09920177      -0.05646993       0.74356795
O       -1.95987000       3.13148000       3.41337000       0.96545641      -0.23917142       0.42062721
O       -1.53755000       0.23524000       3.06878000      -0.16799148      -0.47951241      -0.49593178
O        3.01824000       1.54698000       1.20749000      -0.02531414      -1.75773452       0.40550859
O        2.10859000       4.36279000       1.37087000       0.60275532       0.55584768      -0.69824067
O        1.60886000      -0.01777000       3.14267000      -1.10897625      -1.65236552      -0.58673750
O       -0.58399000       4.57234000       0.89373000      -0.77380424      -2.28989140       0.33266822
O        1.23753000       2.63131000       3.45954000      -1.53995918       1.25158356      -0.92089857
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.92924131 magmom=19.985901 free_energy=-108.92924131 stress="-0.053891536313197964 -0.003795514589997942 0.00850746141408182 -0.003795514589997942 -0.03984306942272416 -0.007513312423688564 0.00850746141408182 -0.007513312423688564 -0.06651345405151977" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.56419000       2.93273000       0.00131000      -0.00063156      -0.36910420      -0.35583747
Cr      -0.41816000       2.80213000       2.24493000       0.78898533       0.04689664      -2.22293575
Cr       1.51730000       0.07854000       1.02534000      -1.73640152      -1.32340584       1.46973733
Cr       3.11750000      -1.37770000       3.37496000      -1.55102028      -0.38743481      -0.45703746
Cr       4.25646000      -0.16467000       1.05382000       2.55878691       1.13988687      -0.73023320
Cr       2.73578000       1.52335000       3.24545000       0.22484791      -1.09615219      -0.90544225
O       -0.07158000       1.24416000       1.08769000       0.44702192       0.68311851      -2.03660501
O       -1.83617000       3.13224000       3.40397000      -1.69774794       0.34857790       1.26215217
O       -1.47804000       0.08194000       2.93367000      -0.49739650       0.74213392       2.31994169
O        2.94155000       1.33622000       1.25691000       0.32395724       1.08966239      -0.53392800
O        2.07461000       4.31161000       1.38257000       0.83938783       0.18502777      -0.75400995
O        1.49783000      -0.04265000       3.04592000       1.01638725      -0.50724156       0.52688088
O       -0.52254000       4.41551000       0.80980000      -1.72543326      -0.64197446       0.62147207
O        1.14697000       2.73352000       3.34907000       1.00925667       0.09000906       1.79584496
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.94126086 magmom=19.9998073 free_energy=-108.94126205 stress="-0.03777390181226142 -0.009993198347885918 7.869815871925623e-05 -0.009993198347885918 -0.047598783529821435 0.01707983685739724 7.869815871925623e-05 0.01707983685739724 -0.07638461124148242" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06289000       0.00566000       4.34863000       0.49548099      -0.59161082      -0.05822310
Cr      -0.36935000       2.96795000       2.12902000       1.20729915      -2.48798942       2.58447326
Cr       1.42986000      -0.00314000       1.05390000       0.18230654      -0.54768258       1.46987021
Cr       3.10359000      -1.35049000       3.35077000      -1.43800928      -1.84211884      -0.14100363
Cr       4.32242000      -0.14443000       1.08746000       0.73770227       1.71608590      -0.01048040
Cr       2.77095000       1.51995000       3.27604000      -1.03290603      -1.42469776      -1.51539826
O       -0.08313000       1.32516000       0.99254000       0.32420891      -0.20442263      -0.13520576
O       -1.88609000       3.11318000       3.50473000      -0.39053935      -0.33593567      -0.97454037
O       -1.47797000       0.05132000       3.18640000      -0.65772420       1.86419635      -1.40320845
O        2.86323000       1.30283000       1.19453000       0.66519323       0.03296582       1.21136756
O        2.22642000       4.29582000       1.20053000      -1.44285808       1.04073004       1.70257952
O        1.49457000      -0.17269000       3.06642000       1.11787830       0.35506778      -0.83731337
O       -0.78625000       4.13096000       0.84614000      -0.69224879       3.98008486      -2.01557651
O        1.10393000       2.89084000       3.46750000       0.92421634      -1.55467303       0.12265931
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.95156228 magmom=20.0044755 free_energy=-108.95156228 stress="-0.045555328359214074 0.03376101858420028 0.003185466048962584 0.03376101858420028 -0.05313115108214167 0.009603489222253916 0.003185466048962584 0.009603489222253916 -0.05403737957851994" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11868000      -0.06142000       4.33836000      -0.74789760       0.93072245       0.74537508
Cr      -0.27196000       3.02596000       2.10505000      -0.49996581      -0.31482068       1.16322898
Cr       1.35350000      -0.10165000       1.14559000       1.50378418       1.22689622      -2.23291451
Cr       3.03112000      -1.41995000       3.31646000       2.18734627      -0.40475826      -0.86158527
Cr       4.41083000      -0.01717000       1.11785000      -3.51689624       1.69838405       0.94349602
Cr       2.75424000       1.44655000       3.21547000      -1.19986625       0.55063492       0.16997647
O       -0.04646000       1.43107000       0.89868000       0.33826796      -0.81680096       0.87889306
O       -1.98454000       3.01165000       3.44223000       0.72953003       0.71051136       0.28650643
O       -1.54088000       0.26575000       3.28658000       0.03175879      -1.23948295      -1.76739747
O        2.86898000       1.35006000       1.26926000       0.18937797      -0.89696327       0.04516806
O        2.20329000       4.38141000       1.20883000      -0.76644037      -0.00598599       1.10934288
O        1.58597000      -0.21038000       3.05506000      -1.05968696       0.33891941       0.09401600
O       -1.04053000       4.30738000       0.78627000       3.33396742      -1.30264266       1.01934615
O        1.16172000       2.80078000       3.53474000      -0.52327939      -0.47461364      -1.59345189
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.0610086 magmom=20.0018152 free_energy=-109.0610086 stress="-0.07100045830977089 0.033171422613483686 -0.008025640839509622 0.033171422613483686 -0.054285388346617926 0.01698349261045465 -0.008025640839509622 0.01698349261045465 -0.07243045309951886" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.66163000       2.80530000       0.02018000      -2.16829306       1.69887839       0.65908412
Cr      -0.20634000       3.03919000       2.15540000      -1.83022004      -0.20086288      -0.60110878
Cr       1.36069000      -0.12776000       1.12394000       0.77518153       2.28603342      -1.22643256
Cr       3.06373000      -1.51779000       3.24780000       0.68127173       1.18608460       1.09715458
Cr       4.33072000       0.17233000       1.18366000       0.95007238      -3.08643510      -1.53343307
Cr       2.67946000       1.41102000       3.17444000       0.21119850       0.63910067       2.17724123
O        0.01319000       1.42680000       0.97333000      -0.16534911      -0.69263788      -0.88674083
O       -1.95832000       2.98891000       3.37623000       0.31997382       0.18440366       0.55320944
O       -1.55260000       0.23558000       3.08776000       0.30683582      -1.00317055       0.91054178
O        2.88724000       1.33252000       1.27277000      -1.17535317       0.42588933      -0.67839872
O        2.10036000       4.42131000       1.36198000       1.12665095      -1.05937737      -1.57685689
O        1.49830000      -0.18052000       3.10713000       0.83698662      -0.90042166      -0.66302598
O       -0.76129000       4.38853000       0.89673000      -1.29605316       0.34437972      -0.80950762
O        1.14610000       2.63877000       3.32498000       1.42709717       0.17813566       2.57827330
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.74675244 magmom=20.0025606 free_energy=-108.74675367 stress="-0.06323237409956345 0.0021851469772738805 -0.007732953177043389 0.0021851469772738805 -0.07625041481943462 0.008747006989156036 -0.007732953177043389 0.008747006989156036 -0.05248111505834801" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54496000       2.88385000       0.08031000       0.27699703       0.70348240      -2.38477261
Cr      -0.22686000       3.01726000       2.19038000       0.11975410      -0.61270678      -0.08191152
Cr       1.43579000      -0.03036000       1.02436000      -0.02462754      -0.56490833       0.79145480
Cr       3.14944000      -1.55291000       3.21990000      -0.84191020       0.85147519       0.52604306
Cr       4.26955000       0.21763000       1.16961000       1.56451705      -3.10764383      -1.67933654
Cr       2.61963000       1.40490000       3.24930000       2.03961869      -1.67957134       0.77307681
O        0.00468000       1.35132000       0.96476000      -0.16210040       0.54811334      -0.72987683
O       -1.84335000       2.99156000       3.37437000      -0.73364261      -0.61583287       0.31577263
O       -1.48826000      -0.01899000       3.05461000      -0.90428038       1.65799638       0.52278368
O        2.73190000       1.38647000       1.15821000       1.10502757      -0.73072818       2.30380037
O        2.18821000       4.28987000       1.25317000      -0.41708504       2.04538067       0.95370921
O        1.47885000      -0.25596000       3.13491000       0.99671924      -0.13318187      -0.75514573
O       -0.60353000       4.39555000       0.95460000      -2.06003334       0.24719342      -1.67690622
O        1.22094000       2.59832000       3.41384000      -0.95895414       1.39093180       1.12130887
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.80953203 magmom=20.0020736 free_energy=-108.80953203 stress="-0.04749162687944273 -0.03507336584523454 -0.014680445972464413 -0.03507336584523454 -0.04695350695008719 -0.005536658496221643 -0.014680445972464413 -0.005536658496221643 -0.10403022236510717" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.42488000       2.98077000       0.02149000       2.50083944      -1.32129045      -0.11677826
Cr      -0.26412000       2.95393000       2.20740000       0.51208467       0.28391457      -0.62651262
Cr       1.50994000       0.05874000       0.96197000      -1.56791920      -1.56394175       2.23807235
Cr       3.19296000      -1.53795000       3.23130000      -1.44591165      -0.04419228      -0.00778345
Cr       4.31138000       0.08626000       1.06594000       0.84128027      -0.11604358       2.65766892
Cr       2.65115000       1.31901000       3.37260000       0.43400763       0.18114636      -2.13720401
O       -0.05382000       1.38620000       0.87046000       0.95471968      -0.11171469       0.20562777
O       -1.80242000       2.89641000       3.39094000      -1.26046279       0.49168669       0.33595556
O       -1.53364000       0.00398000       3.17764000      -1.13883578       1.88140040      -2.06343292
O        2.73532000       1.45434000       1.34591000       1.51690068      -0.18346830       0.02069222
O        2.27101000       4.43037000       1.20599000      -1.16737737       0.63758769       0.91170085
O        1.58319000      -0.31166000       3.08801000      -0.74761208       0.53191920      -0.18218494
O       -0.77652000       4.34447000       0.85012000       0.39891053       0.55551160       2.11428400
O        1.15685000       2.79277000       3.61713000       0.16937595      -1.22251546      -3.35010548
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.52683352 magmom=20.0010362 free_energy=-108.52683352 stress="-0.07428383479380253 0.0262634404120747 -0.01951173207382755 0.0262634404120747 -0.04781246467805156 0.00027375100491792173 -0.01951173207382755 0.00027375100491792173 -0.06377351331526807" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12060000       0.11094000       4.29661000       1.29337807      -0.66031912       1.36564861
Cr      -0.30124000       2.89622000       2.18947000      -1.77480378      -0.44597051      -0.58274639
Cr       1.49720000       0.07127000       1.02619000      -0.53573760       0.66752598       1.53900639
Cr       3.14942000      -1.51061000       3.24256000      -0.75161269       0.71060018      -0.52837173
Cr       4.40621000      -0.03877000       1.06033000      -1.08828430       2.91736297       0.29677886
Cr       2.69966000       1.25528000       3.39931000      -1.37390597       3.70182374      -0.87129322
O        0.01187000       1.42570000       0.84887000       0.32318750      -0.71410740       0.04263487
O       -1.91408000       2.89511000       3.43890000       0.11816718       0.98774042       0.35823480
O       -1.61500000       0.26794000       3.06776000       2.15713992      -2.64868313       0.13858719
O        2.95430000       1.49806000       1.45765000      -1.01180691      -0.46010595      -2.25837240
O        2.18036000       4.58914000       1.27680000       0.26997086      -2.62742867      -0.93430416
O        1.52898000      -0.22127000       3.05952000      -0.76880248      -0.18405611       0.39384351
O       -0.82543000       4.34283000       1.03598000       0.79149925       0.46939578      -1.35568309
O        1.10026000       2.82618000       3.37520000       2.35161094      -1.71377818       2.39603677
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.149028 magmom=19.992553 free_energy=-109.14902806 stress="-0.05202117400039396 0.03484972764246193 0.0037073184522154277 0.03484972764246193 -0.037600701875127505 -0.010550449495112245 0.0037073184522154277 -0.010550449495112245 -0.05070512294670478" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04397000       0.07911000       4.29563000      -0.00319367      -1.06745544       1.33831875
Cr      -0.41664000       2.81626000       2.16222000      -0.22212016      -0.31894550       1.22834365
Cr       1.47011000       0.10125000       1.17398000       0.46899573      -1.40887609      -1.78575995
Cr       3.06186000      -1.45116000       3.22614000       0.25334877      -0.62806672      -0.07239015
Cr       4.43938000      -0.01433000       1.09157000      -1.26445597       0.09859971      -1.01839093
Cr       2.71097000       1.37460000       3.34429000       1.75111450       0.66199421      -0.38425093
O        0.07597000       1.39236000       0.89762000      -1.13010575       0.45932252      -0.35410225
O       -1.96070000       3.05292000       3.50172000       0.74795364      -0.43904673      -0.44088345
O       -1.43283000       0.13804000       3.01959000      -2.28388756       0.21644715      -0.09799517
O        2.97580000       1.43041000       1.16772000       0.03818540      -0.73726002       1.21922208
O        2.12652000       4.33040000       1.18289000       0.16620176       2.17114282       1.82696082
O        1.38056000      -0.10259000       3.11764000       3.07188998      -0.92627272      -0.93183984
O       -0.68389000       4.38820000       1.07144000      -0.08453297       0.51568542      -1.55387915
O        1.29386000       2.59940000       3.34417000      -1.50939370       1.40273138       1.02664651
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.25901207 magmom=19.9974903 free_energy=-109.25901207 stress="-0.05970364356099335 -2.568357911717195e-05 0.0154799944013763 -2.568357911717195e-05 -0.05640131625118769 -0.012038983336536776 0.0154799944013763 -0.012038983336536776 -0.056378774591590894" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03353000       0.00710000       4.34898000      -0.06184708       0.39982891      -0.55316815
Cr      -0.53316000       2.74528000       2.18516000       1.21948521       1.11676585      -0.14955477
Cr       1.46023000       0.06999000       1.20829000       0.00610231      -0.72584118      -2.33169967
Cr       3.00490000      -1.43715000       3.21488000       1.42136666      -0.74836749       1.08847658
Cr       4.40117000       0.01960000       1.07430000      -0.23544346      -1.78564723      -0.01767624
Cr       2.79911000       1.52936000       3.27651000       0.24524311      -1.65140183       0.00868126
O       -0.04560000       1.41767000       0.93763000       0.85350782      -0.91051604      -1.08618787
O       -1.87155000       3.11373000       3.45403000      -1.39446277       0.15239100       1.03995788
O       -1.49411000       0.00891000       3.05556000      -0.52898685       1.95562009      -0.27382460
O        2.93824000       1.30428000       1.03140000       0.56222404       0.55982331       2.45064167
O        2.16873000       4.32171000       1.27202000       0.05992790       1.06946079       0.02744332
O        1.61245000      -0.10728000       3.12605000      -0.47458689       0.34076722       0.18063805
O       -0.55725000       4.43438000       0.90442000      -1.12863396      -0.47358466       0.45409706
O        1.20613000       2.64329000       3.47523000      -0.54389603       0.70070126      -0.83782453
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.27470661 magmom=20.0020175 free_energy=-109.27470661 stress="-0.06860161871861463 -0.013541802937535414 0.016766822272432452 -0.013541802937535414 -0.0642900137867247 -0.005831897388026098 0.016766822272432452 -0.005831897388026098 -0.05904138776083682" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.64536000       2.83974000       0.01863000      -0.66469894       0.57593420      -0.48615846
Cr      -0.57064000       2.73891000       2.19728000       0.95089976       0.29346800      -1.20779922
Cr       1.45424000      -0.00264000       1.11958000       0.18350573       0.62665765       0.71100481
Cr       3.03030000      -1.45513000       3.25929000       0.23856521       1.53425078       0.42351207
Cr       4.35303000      -0.03611000       1.05275000       0.63605078       0.28990632       0.38017678
Cr       2.89823000       1.56167000       3.22204000      -2.99397729      -2.21939815       0.83773654
O       -0.07753000       1.35201000       0.88388000       0.85502387      -0.12369228       0.35501435
O       -1.92586000       3.14655000       3.48458000       0.34946815       0.52410343       0.34500297
O       -1.59308000       0.17922000       3.11114000       1.97760450      -0.18917046       0.03554708
O        2.93416000       1.34211000       1.27472000       0.10042530       0.80697832      -0.34483977
O        2.24968000       4.45122000       1.30887000      -0.95897976      -1.42352266      -0.73674211
O        1.71058000      -0.05022000       3.15940000      -1.62902908      -0.00356901      -0.70808889
O       -0.62552000       4.38954000       0.85403000      -0.63198394       0.27720406       0.33203094
O        0.95845000       2.88292000       3.44080000       1.58712570      -0.96915021       0.06360292
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.65031719 magmom=20.0040095 free_energy=-108.65032051 stress="-0.03465932868392034 0.014317454413075905 0.018978164801092573 0.014317454413075905 -0.027625140153337086 0.007961439521961598 0.018978164801092573 0.007961439521961598 -0.07696090102627468" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.68514000       2.83142000       0.02685000      -1.34474187       0.86681393       0.13835494
Cr      -0.53500000       2.76618000       2.14521000      -0.18829049      -0.33171116      -0.18684007
Cr       1.45721000      -0.05336000       1.06151000      -0.25553766       0.88525582       1.28646380
Cr       3.07483000      -1.38563000       3.32781000      -0.41492161       0.68145262      -0.87949259
Cr       4.32880000      -0.08977000       1.05253000       0.26616688       1.93289609       0.06438262
Cr       2.84610000       1.46511000       3.24039000      -1.51653401       0.83344518       1.74480533
O       -0.00361000       1.29644000       0.93362000      -0.31313319       0.33911623      -0.18728099
O       -1.91834000       3.17922000       3.49873000       0.05067807      -0.72337030      -0.62986698
O       -1.34719000       0.32016000       3.19949000      -1.80121857      -0.91326321      -1.39578769
O        2.91392000       1.54442000       1.38345000       0.73405707      -2.33942027      -0.99230521
O        2.20002000       4.35350000       1.20282000      -0.42091872       0.70007609       1.38774767
O        1.48889000       0.01740000       3.07885000       2.29626175      -1.07143281      -1.23532844
O       -0.80698000       4.35752000       0.91268000       1.04938039       0.16492689      -0.70925421
O        0.95287000       2.99029000       3.35738000       1.85875196      -1.02478510       1.59440181
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.40166005 magmom=20.0009384 free_energy=-108.40167459 stress="-0.01754111839178324 0.03368420407548616 0.010170678006687838 0.03368420407548616 -0.034509688733563124 -0.0037066617143836932 0.010170678006687838 -0.0037066617143836932 -0.07785629105467472" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.66725000       2.89604000       0.03028000       0.04080126       0.25073113      -0.24651215
Cr      -0.46473000       2.80708000       2.07650000       0.56311526       0.08903022       2.13827874
Cr       1.44431000      -0.05935000       1.05122000       0.32344535       0.88798012      -1.58436370
Cr       3.11185000      -1.26150000       3.36233000       0.83730821      -2.88824418      -1.06141757
Cr       4.32108000      -0.04637000       1.05742000       0.17467371       0.92360789       0.81221977
Cr       2.66496000       1.39148000       3.36941000       1.30186636       2.54134953      -2.93502688
O        0.00976000       1.34724000       1.01132000       0.54829691      -0.92427380      -2.02877176
O       -1.86074000       3.03514000       3.36337000      -1.64409472       0.48477313       1.71122239
O       -1.26367000       0.23638000       3.11621000      -3.30968015      -0.16068583      -0.95256698
O        2.97715000       1.42788000       1.20604000      -0.33794045      -1.87481591       1.47785758
O        2.09327000       4.29399000       1.26626000       0.89855185       1.31376113       0.59270557
O        1.48501000      -0.10305000       2.91007000       0.56849383      -0.34762096       2.75088551
O       -0.82786000       4.30678000       0.92725000       0.54629156       0.69815732      -0.37350467
O        1.23179000       2.88590000       3.46468000      -0.51112898      -0.99374979      -0.30100586
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.18567612 magmom=20.0006038 free_energy=-108.18567612 stress="-0.10085660607088046 0.014099406193257566 0.010612784676329737 0.014099406193257566 -0.10958706026575919 -0.0044740294652538225 0.010612784676329737 -0.0044740294652538225 -0.08097677349405996" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62565000       2.99367000       0.01099000      -0.60134470      -0.61105360       0.52924406
Cr      -0.35689000       2.85314000       2.11523000       0.50333706      -0.41902302       1.66857708
Cr       1.44701000      -0.02811000       0.99400000       0.07263743      -1.33954316       1.28016703
Cr       3.17856000      -1.30394000       3.33808000      -1.86505309      -4.89678075      -1.16515071
Cr       4.34192000       0.03284000       1.08996000       1.34955064      -1.75807387      -0.36602216
Cr       2.53679000       1.41776000       3.36829000       4.26796958      -2.20431717      -2.45944609
O        0.04671000       1.36925000       0.86405000      -0.02866225       0.15716375       1.18677048
O       -1.96067000       2.90380000       3.39752000       0.54579848       0.94074207      -0.07457703
O       -1.59427000       0.09952000       2.98190000       2.38668760       2.84567344       1.82672189
O        2.89106000       1.13888000       1.16094000      -1.07473274       3.95065641       0.19373734
O        2.18244000       4.40731000       1.35720000       0.02221907      -0.56959038      -0.98007161
O        1.55135000      -0.26103000       3.15786000      -0.77411353       0.60677203      -0.78047278
O       -0.69404000       4.31388000       0.93023000      -0.76170343       0.88385421      -0.03824945
O        1.33009000       2.68533000       3.51504000      -4.04259012       2.41352005      -0.82122804
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.87599908 magmom=20.0053954 free_energy=-108.87599983 stress="-0.06707114199203773 -0.007433616372490261 -0.014643551794111913 -0.007433616372490261 -0.050178365934373276 -0.008637574310059487 -0.014643551794111913 -0.008637574310059487 -0.05365349755077391" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.56199000       3.03301000       0.01319000      -0.48642776      -0.81557518      -0.17708537
Cr      -0.27183000       2.87724000       2.21173000      -3.22771241       0.62852346      -2.63388163
Cr       1.46451000      -0.04886000       1.00037000       0.25458606       0.51519428       1.24979502
Cr       3.16212000      -1.52919000       3.26181000      -1.31890799       1.95928063       0.06634225
Cr       4.40073000       0.03731000       1.11205000      -0.95290895       0.72858089       0.28705397
Cr       2.59590000       1.38206000       3.24957000       0.38380909       0.44079391       0.10038797
O        0.03191000       1.39302000       0.89457000      -0.10293666      -0.77897786      -0.00389606
O       -1.95053000       2.92695000       3.40061000       0.40284366       0.18666974      -0.32151715
O       -1.60210000       0.25342000       3.14501000       0.23042652      -0.96013847      -0.73646846
O        2.69669000       1.43834000       1.17486000       1.44151382      -0.81971471       1.28903965
O        2.29123000       4.42398000       1.26656000      -1.13345802       0.62538552       1.06462076
O        1.52162000      -0.26308000       3.30173000       1.12202037      -0.21244845      -2.46417662
O       -0.67398000       4.40943000       0.95982000      -1.02101533      -0.32869063      -0.65558317
O        0.98166000       2.76963000       3.44202000       4.40816761      -1.16888312       2.93536883
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.29668495 magmom=20.015101 free_energy=-109.29668495 stress="-0.05134974765698442 0.004638164552850278 -0.003945769753426676 0.004638164552850278 -0.03914096025111591 0.0015759434304685118 -0.003945769753426676 0.0015759434304685118 -0.0595651837263409" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.50546000       3.01029000       0.00916000       1.31252787      -0.35571030      -0.24519633
Cr      -0.32335000       2.91231000       2.20025000       0.42541584       0.15494157      -0.41538060
Cr       1.47668000      -0.04493000       1.05752000      -0.75719210       0.92686161       0.01442125
Cr       3.09213000      -1.60553000       3.21429000       0.44495697       2.84745112       1.15801088
Cr       4.39883000       0.06223000       1.14825000      -0.79631048      -0.30413381       0.75725547
Cr       2.67809000       1.37413000       3.18096000       0.49236082       0.79394550       2.80911990
O       -0.01726000       1.34415000       0.96947000       0.92480297       0.06891317      -1.02145901
O       -1.86533000       2.98531000       3.35042000      -0.97473753       0.12235438       1.41287812
O       -1.51574000       0.23721000       3.19679000      -1.44407622      -0.79331147      -1.92500082
O        2.77851000       1.59161000       1.30924000       0.82796744      -2.34402451      -0.67154530
O        2.22564000       4.45308000       1.26469000      -0.16729251      -0.05509644       0.27097589
O        1.56211000      -0.22623000       3.10223000      -0.36321470      -0.34900638      -0.44052152
O       -0.75741000       4.40096000       0.93625000       0.52692575      -0.20448317      -0.20227610
O        1.16407000       2.70559000       3.58050000      -0.45213411      -0.50870127      -1.50128183
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.59574794 magmom=20.0023665 free_energy=-109.59574794 stress="-0.041167373973455004 0.02712576543421248 0.0027300077989004697 0.02712576543421248 -0.045231275078658296 0.007089275815501902 0.0027300077989004697 0.007089275815501902 -0.09037522754370228" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03915000       0.07107000       4.34670000       0.93893000      -0.63320131      -0.40420855
Cr      -0.38957000       2.95047000       2.15259000       1.25465826      -1.54061712       1.13783096
Cr       1.44842000       0.01056000       1.10235000       0.27436092      -0.06513407      -1.66611752
Cr       3.03723000      -1.51193000       3.23404000       0.41231888      -0.00711438       0.50154660
Cr       4.36230000       0.06079000       1.19519000       1.22856937      -1.95999385      -3.38224782
Cr       2.78468000       1.40731000       3.26763000      -0.38588553      -0.35524688       0.32424439
O        0.02938000       1.35269000       0.92168000      -0.52631946       0.63909599      -0.10678877
O       -1.87414000       3.04660000       3.47048000      -0.35369646      -0.10195229      -0.25833681
O       -1.56578000       0.04315000       3.03249000       0.20387972       0.78940524       2.20799578
O        2.99158000       1.36720000       1.27771000      -1.14889790       1.00305916      -0.21810060
O        2.15599000       4.41166000       1.25480000       0.26040809      -0.14888352       0.00709640
O        1.51085000      -0.18186000       2.94152000      -0.07243260      -0.12762791       2.93042818
O       -0.71465000       4.32074000       0.92411000      -0.29505926       1.54630863      -0.89668193
O        1.29990000       2.60076000       3.46487000      -1.79083403       0.96190231      -0.17666029
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.79854479 magmom=19.9971495 free_energy=-108.79854741 stress="-0.06221194254490523 0.002118907301434017 0.012442055795350675 0.002118907301434017 -0.05106455876203484 0.0012970498277289557 0.012442055795350675 0.0012970498277289557 -0.05695954973705231" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01276000      -0.03342000       4.30911000      -1.24240652      -0.27915847       1.97518494
Cr      -0.40540000       2.91992000       2.14293000      -0.53440555      -0.10003560       0.35381926
Cr       1.43123000       0.08139000       1.09554000       1.05616830      -0.20046896       1.01822392
Cr       2.98640000      -1.39716000       3.28995000      -0.31811144      -2.13081946      -0.96264401
Cr       4.38278000      -0.05902000       1.08237000      -0.67706578      -0.08143835      -0.68688505
Cr       2.87321000       1.43547000       3.39900000      -1.96309438      -0.43445533      -3.33810198
O       -0.02723000       1.48853000       0.88438000      -0.17267258      -1.40119452       0.20035083
O       -1.91598000       3.07566000       3.51227000       0.13009859       0.19028919      -0.80023392
O       -1.55094000      -0.01017000       3.14709000       0.28491367       1.86157987      -1.12784455
O        2.99134000       1.26392000       1.13998000      -0.39978951       0.89105971       1.46889384
O        2.16240000       4.30520000       1.20207000      -0.20023689       1.52024859       1.09158087
O        1.45004000      -0.11991000       3.21193000       2.90569150      -0.12702434      -2.75407774
O       -0.65515000       4.41425000       0.89024000      -0.66709865       0.38755508       1.03475195
O        1.12821000       2.67696000       3.23338000       1.79800924      -0.09613742       2.52698166
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.2404441 magmom=19.9980187 free_energy=-108.24044435 stress="-0.09301064662620746 -0.007643311062600171 -0.0012291357609604187 -0.007643311062600171 -0.09859535361408764 0.015000931768683065 -0.0012291357609604187 0.015000931768683065 -0.04076546997508155" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03260000      -0.15900000       4.34510000      -0.58824096       1.78595240      -0.53196054
Cr      -0.43054000       2.86140000       2.16543000      -0.40184647       0.28520128      -0.20101892
Cr       1.46817000       0.14634000       1.12540000      -0.96420945      -1.02760188      -0.18269025
Cr       2.94213000      -1.38737000       3.30279000       3.64351196      -0.37849565      -0.92187590
Cr       4.36816000      -0.19998000       0.89963000      -1.69360326       3.20371649       3.01892786
Cr       2.86936000       1.45254000       3.37403000      -0.09825621       1.04620489      -1.46751541
O       -0.16843000       1.43902000       0.92178000       1.22438827      -1.36773511      -0.88302524
O       -1.90829000       3.10248000       3.36429000      -0.67913918       0.81400378       1.77218873
O       -1.44655000       0.24305000       3.21244000      -1.13395926      -0.66119545      -1.56322266
O        2.84820000       1.39277000       1.21546000       2.08748223      -1.16186920       2.17299291
O        2.18820000       4.37403000       1.25060000      -0.53433406       0.05013239       0.15700842
O        1.68894000      -0.03572000       3.23587000      -2.12881738       0.24700877      -0.96836098
O       -0.64163000       4.52418000       1.02135000       0.63082289      -1.42139704      -0.75146718
O        1.12332000       2.81266000       3.34573000       0.63620088      -1.41392566       0.35001917
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.42971622 magmom=20.0010313 free_energy=-108.42971622 stress="-0.059434033728723856 -0.00028671649806662815 0.014052487414750823 -0.00028671649806662815 -0.046191361476144194 0.01155483278164185 0.014052487414750823 0.01155483278164185 -0.08780185698862496" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54679000       2.68763000       0.02963000      -0.72279033       1.40290295      -0.71583980
Cr      -0.48022000       2.80894000       2.17943000       0.22888871      -1.26107379      -0.38327798
Cr       1.46371000       0.15584000       1.15496000      -0.69989803      -1.70438490      -0.08140611
Cr       3.07271000      -1.39775000       3.25657000      -0.18527588       1.53578330       0.37179480
Cr       4.27100000      -0.18581000       0.89999000       2.68492724       2.06667829       3.40496039
Cr       2.85309000       1.52463000       3.26904000      -0.55699735      -0.02556698       3.51596974
O       -0.13337000       1.23337000       0.90049000       0.54045524       1.74138275      -0.18868137
O       -1.93639000       3.21463000       3.41866000       1.05295610      -0.17012801       1.04876100
O       -1.43455000       0.35881000       3.09518000       0.13455752      -1.70444574       0.12887295
O        2.96997000       1.45094000       1.47675000      -0.08570347      -0.38086905      -4.09334075
O        2.16063000       4.42988000       1.29901000      -0.76325320      -1.10836188      -0.54116743
O        1.61689000       0.03134000       3.09809000      -0.36162952      -1.12771877       0.82305020
O       -0.56008000       4.38549000       1.07280000      -1.06852207       1.09837222      -1.86103302
O        1.21891000       2.76103000       3.41624000      -0.19771496      -0.36257038      -1.42866264
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.73576228 magmom=20.0024367 free_energy=-108.73576228 stress="-0.021196592491184104 0.03924938339731889 0.00375721363790356 0.03924938339731889 -0.023542655878454822 0.014336527054383541 0.00375721363790356 0.014336527054383541 -0.0700900087619104" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.47465000       2.75275000       0.03045000       0.00904707       1.09172021      -0.89108659
Cr      -0.50895000       2.70773000       2.16525000       0.63663627       0.44768140       0.04456539
Cr       1.41426000       0.06303000       1.18518000       0.49643909      -0.96161415      -0.10481355
Cr       3.21841000      -1.34027000       3.21751000      -3.26084900      -1.60731244       1.08132920
Cr       4.29653000      -0.05464000       1.09101000       1.91877797      -0.08741460      -2.64302213
Cr       2.81980000       1.59720000       3.28747000      -0.57911065      -1.97448619      -0.58970079
O       -0.01540000       1.34843000       0.88983000      -0.37034365       0.03655341      -0.51489175
O       -1.77175000       3.24015000       3.59751000      -0.29282097      -0.75880250      -1.24057928
O       -1.42767000       0.16639000       3.03131000      -0.91820192       1.29878551      -0.03015264
O        3.06985000       1.45640000       1.21814000      -0.43652147      -1.20926581       2.23176927
O        2.09028000       4.33478000       1.25136000       0.98370879       1.28400278       0.27894259
O        1.40873000      -0.09147000       3.10330000       2.37382145      -0.06400327       0.06696705
O       -0.64636000       4.32272000       0.85867000      -0.66205275       1.09712589       0.61768049
O        1.23457000       2.65806000       3.21858000       0.10146977       1.40702977       1.69299274
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.13154844 magmom=19.9982864 free_energy=-109.13154844 stress="-0.02858035696285202 0.030135631448604896 0.013124497815665544 0.030135631448604896 -0.03459299094148909 -0.01603372084981057 0.013124497815665544 -0.01603372084981057 -0.06952407360955046" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.10513000      -0.02726000       4.34680000       1.12408644      -0.65498472       0.66014460
Cr      -0.48203000       2.65835000       2.16056000       0.77024475       1.61813512       0.35534121
Cr       1.39862000      -0.06770000       1.20098000       1.81641514       0.98866818      -1.11519144
Cr       3.17105000      -1.37152000       3.23649000      -1.18296671      -1.38329175      -0.30804809
Cr       4.41840000       0.05844000       1.12061000      -1.32957540      -0.44166683      -2.45635217
Cr       2.75266000       1.56171000       3.28795000      -0.26148609      -1.28790789      -1.46220472
O        0.02672000       1.47267000       0.83379000       0.81332550      -1.98549387      -0.50441560
O       -1.67232000       3.09061000       3.53169000      -2.88728864       0.27249345       0.82841669
O       -1.50827000       0.17486000       3.06189000      -0.33295972       1.35341080      -0.25394901
O        2.99926000       1.37641000       1.18074000      -0.67914230       0.36957369       1.75664338
O        2.20657000       4.40579000       1.21383000       0.04970096       0.64748798       0.76474316
O        1.52707000      -0.19657000       3.16442000       0.61860232       0.79058492      -0.53948668
O       -0.80264000       4.42086000       0.83220000       1.03993648      -0.41315638       1.37777665
O        1.22037000       2.78907000       3.29065000       0.44110727       0.12614731       0.89658202
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.2701519 magmom=20.0021437 free_energy=-109.2701519 stress="-0.07289733729960567 -0.012408516883783504 -0.003187681722287182 -0.012408516883783504 -0.07194916466977322 -0.009084740503036556 -0.003187681722287182 -0.009084740503036556 -0.053568188011097966" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07179000       0.03395000       4.33903000       0.31330383      -0.56582180       0.75901199
Cr      -0.41778000       2.70450000       2.18493000      -0.78852694       0.44916255       0.17844506
Cr       1.47719000      -0.13091000       1.15893000       0.34131988       1.80486193      -1.03615292
Cr       3.07588000      -1.45874000       3.23997000       2.82955308       1.96114193      -0.52825054
Cr       4.45288000       0.12499000       1.02789000      -1.89503981      -0.80388213       2.19690077
Cr       2.67848000       1.46691000       3.22993000       0.23099781       0.49779686       2.07453941
O        0.12450000       1.35099000       0.81980000      -0.13956089       0.78816928       0.95340634
O       -1.95227000       2.96374000       3.46028000       0.89869262       0.98757046       0.04347428
O       -1.54968000       0.36197000       3.10946000       0.58420731      -1.17581143      -0.77151993
O        2.80954000       1.40827000       1.36115000       0.72956538       0.24917267      -2.16418351
O        2.33098000       4.50954000       1.24661000      -0.57579897      -1.04656843       0.00769153
O        1.65216000      -0.14436000       3.15721000      -1.74527613      -0.54049951      -0.16264783
O       -0.74974000       4.43492000       1.05032000       0.18273480      -0.71238903      -0.78520068
O        1.19706000       2.88039000       3.46568000      -0.96617197      -1.89290336      -0.76551395
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.15682423 magmom=20.0036803 free_energy=-109.15689436 stress="-0.04276329395306578 0.002435615230767447 -0.003890551777548445 0.002435615230767447 -0.04909368739304475 -0.004727422296436995 -0.003890551777548445 -0.004727422296436995 -0.042141467016468405" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.52226000       2.94877000       0.01367000      -0.06425153       0.02567501      -0.73593347
Cr      -0.39833000       2.78418000       2.21697000      -0.85186528      -0.20608678       0.24138209
Cr       1.55909000      -0.08933000       1.06344000      -2.15904339       0.79381979       0.13043884
Cr       3.11702000      -1.44552000       3.22235000      -0.34425353       0.53391334       1.13249801
Cr       4.37874000       0.13591000       1.05514000       0.57818887      -0.97546374       1.13107217
Cr       2.63497000       1.40454000       3.26329000       0.34962499       0.63573646       0.72607625
O        0.11499000       1.36368000       0.99532000      -0.40812037      -0.34088263      -1.56264535
O       -2.04085000       2.98592000       3.38274000       1.32648856       0.16045121       0.56396694
O       -1.48398000       0.29298000       3.07620000      -1.23437230      -0.49166247      -0.46118534
O        2.75169000       1.49208000       1.21175000       1.58404114      -1.66377067       1.05948224
O        2.32949000       4.41205000       1.26330000      -0.60763572       0.58567764       0.41392936
O        1.48627000      -0.16299000       3.12217000       1.18808337      -0.75083902      -0.76280832
O       -0.60798000       4.31959000       1.11069000      -0.91808088       1.36193670      -2.35726544
O        1.07074000       2.69071000       3.46803000       1.56119608       0.33149517       0.48099202
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.83912055 magmom=19.9977223 free_energy=-108.83912055 stress="-0.05240615074515011 0.016164883523932645 0.013152386101775777 0.016164883523932645 -0.03735449660357446 -0.007937999359677088 0.013152386101775777 -0.007937999359677088 -0.08159224018930335" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.58695000       2.97811000       0.01230000       0.44697815      -0.36951909      -0.91977640
Cr      -0.40836000       2.88420000       2.24739000       1.91356349       0.01320596      -1.68064861
Cr       1.52042000       0.01397000       0.95915000      -1.10760094      -0.53971669       1.61115012
Cr       3.16222000      -1.40266000       3.26467000      -2.40262388      -2.47392357       0.60791586
Cr       4.32335000       0.08056000       1.15996000       1.68282446      -1.80535334      -2.21675401
Cr       2.61486000       1.37228000       3.35174000       0.93228131      -0.37845973      -2.76418016
O       -0.04916000       1.39245000       0.99344000       1.00170038      -0.52647854      -1.37572719
O       -1.85686000       3.05429000       3.36740000      -2.36264759       0.00070262       1.43146377
O       -1.54048000       0.06986000       3.05640000       0.10319004       1.96497845       1.03751985
O        2.94361000       1.37175000       1.09301000      -0.84020786       0.09719428       1.60205801
O        2.21090000       4.33510000       1.29829000      -0.05237751       1.27268121       0.33428627
O        1.42802000      -0.28674000       3.01353000       1.38043776       0.69952773      -0.03159282
O       -0.57858000       4.31087000       0.83992000      -0.96380344       0.68713943       1.40656320
O        1.10946000       2.53575000       3.44708000       0.26828563       1.35802127       0.95772210
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.48669809 magmom=20.0026108 free_energy=-109.48669809 stress="-0.04649666588743673 0.020995283224894253 0.004469708562108611 0.020995283224894253 -0.03575643325852231 0.0018656915044156911 0.004469708562108611 0.0018656915044156911 -0.07960199377164699" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14790000       0.10428000       4.31391000      -0.53123529       0.00706536       0.89338402
Cr      -0.32794000       2.99913000       2.20169000       0.60980826      -0.42071997      -0.05934446
Cr       1.40326000       0.10757000       0.94802000       1.54707723      -1.58628087       2.58034226
Cr       3.07909000      -1.47965000       3.33844000      -0.74236848      -0.19652320      -2.76473699
Cr       4.36069000      -0.08585000       1.17383000      -0.73581469       0.54265237      -0.32390353
Cr       2.64310000       1.31626000       3.28843000       1.54380844       1.73860294      -1.01824133
O       -0.12390000       1.37388000       0.82386000       0.65647285       0.26768726       2.64746506
O       -1.89125000       3.09155000       3.45615000      -0.48534869      -0.63301685      -1.55141031
O       -1.58045000       0.11919000       3.23132000       0.29001538       0.00240550      -0.88574938
O        2.98742000       1.28221000       1.23247000      -1.16921516       1.06950998       0.30128435
O        2.10639000       4.38498000       1.29328000       0.62634855      -0.47007195      -0.36207385
O        1.55555000      -0.24669000       2.97703000      -1.02351853       0.25311862       0.53374734
O       -0.71779000       4.39344000       0.86396000      -0.16745331      -0.35437604       0.54400371
O        1.16505000       2.64854000       3.52056000      -0.41857657      -0.22005314      -0.53476688
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.26299178 magmom=20.0002656 free_energy=-108.26299178 stress="-0.08738685766122996 0.016058114708448003 0.0016021439438545079 0.016058114708448003 -0.07717426939375796 0.013615748499130767 0.0016021439438545079 0.013615748499130767 -0.0603627366511626" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.20729000       0.11086000       4.30486000      -2.15500598       0.11226729       1.71049417
Cr      -0.21509000       3.07261000       2.15388000      -0.46785355      -2.17245594       1.48474415
Cr       1.36557000       0.11533000       1.05634000       0.65377884      -1.58067130      -0.51968702
Cr       2.95675000      -1.56616000       3.30067000       2.08551632       2.66317513      -0.11027215
Cr       4.35021000      -0.20583000       1.16009000      -1.79644609       4.05049424       0.78688342
Cr       2.74825000       1.34879000       3.15764000       0.40516733       1.94106056       3.36023258
O       -0.08786000       1.39277000       0.99570000      -0.57661508      -0.57915005      -0.63680412
O       -2.01193000       3.01763000       3.35707000       0.46469519      -0.00408456       0.71473334
O       -1.51619000       0.19558000       3.28186000      -0.64950335      -1.44365271      -1.63747027
O        2.79804000       1.39305000       1.33454000       0.83827338      -0.34419139      -2.43623119
O        2.13616000       4.35194000       1.20955000      -0.94029419       0.11520257       1.32553397
O        1.53215000      -0.15615000       3.06366000       1.02815595      -1.26785282      -1.54219247
O       -0.79909000       4.39552000       1.08634000       0.82796475       0.76559406      -3.34586730
O        1.10241000       2.73679000       3.49517000       0.28216648      -2.25573508       0.84590288
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.11582744 magmom=20.0030928 free_energy=-109.11582744 stress="-0.045837313949401 -0.003964651217309787 -0.00892961663168965 -0.003964651217309787 -0.05061723860351065 -0.002319300913369064 -0.00892961663168965 -0.002319300913369064 -0.05099120055141427" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.68522000       3.00601000       0.00862000       0.15195499       0.48436419      -1.27732875
Cr      -0.16440000       3.03372000       2.17403000      -1.07635954       0.24507167      -0.51513374
Cr       1.37415000       0.04485000       1.12495000      -0.39865740       0.03813832      -1.61650404
Cr       2.95204000      -1.52178000       3.25182000       1.55463060      -0.38926223       1.78171195
Cr       4.25088000      -0.10658000       1.17973000       1.43682387       1.06814134      -1.97879887
Cr       2.86042000       1.46855000       3.18975000      -2.40098399      -2.43917278       0.11565585
O       -0.13165000       1.35059000       1.12084000      -0.07177306      -0.76812199      -1.74844459
O       -1.98373000       2.98869000       3.35557000       1.08882764       1.96267550       0.74507520
O       -1.53070000       0.02315000       3.07612000      -0.88464431       0.35757638       0.77816437
O        2.75861000       1.43586000       1.09914000       1.08304360      -1.69325349       1.94383200
O        2.08929000       4.30432000       1.29023000      -0.50418998       0.52901569       0.34322313
O        1.55008000      -0.23240000       3.03727000      -0.38589520       0.48269413       0.56250209
O       -0.68527000       4.40425000       0.83075000      -0.48509315      -0.46477946       0.56389435
O        1.08403000       2.51439000       3.51466000       0.89231595       0.58691273       0.30215105
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.94531749 magmom=20.0027645 free_energy=-108.94531749 stress="-0.05332654166264065 0.020944484393514876 -0.00521652935231746 0.020944484393514876 -0.04186845362685747 -0.00938779353957229 -0.00521652935231746 -0.00938779353957229 -0.06612860728619116" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.60645000       3.02152000       0.02104000       0.20465129      -0.31762010      -0.48525716
Cr      -0.17938000       2.96569000       2.17426000      -0.38787660       0.17792092      -0.63495983
Cr       1.36097000      -0.02383000       1.10732000       0.70286780       0.43679096       0.15946953
Cr       3.03131000      -1.48966000       3.29890000      -0.67518397      -0.92447211       0.48302785
Cr       4.22760000       0.04768000       1.09783000       1.15897281      -3.47554748      -0.71632346
Cr       2.86300000       1.48119000       3.23636000      -1.16267332      -1.30054477      -1.19045574
O       -0.15998000       1.26598000       0.97002000       1.09468638       1.09447250      -0.26647256
O       -1.79675000       3.18210000       3.45796000      -1.11571346      -1.45285170      -0.24403475
O       -1.64299000      -0.04212000       3.03116000       1.21647288       2.29564586       0.73060612
O        2.87912000       1.29981000       1.11495000      -1.30242178       1.53629587       1.46473875
O        2.01223000       4.29343000       1.35663000       0.43447812       0.55106265      -0.25769623
O        1.48283000      -0.21535000       3.12080000       0.69112014      -0.02797802      -0.70625381
O       -0.60647000       4.30678000       0.74990000      -1.05025352       0.07203471       1.70322652
O        1.13981000       2.44530000       3.50103000       0.19087323       1.33479070      -0.03961525
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.95336085 magmom=20.0017001 free_energy=-108.95336089 stress="-0.033568315085727156 0.03453956809853357 -0.0055673860011426785 0.03453956809853357 -0.025716283420380317 -0.0007526595409923486 -0.0055673860011426785 -0.0007526595409923486 -0.10105913887268726" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01237000       0.12731000       4.35791000       0.16439696      -0.78441494       0.77374721
Cr      -0.23402000       2.87760000       2.14900000      -0.61028382      -0.88797685       0.78991610
Cr       1.38242000      -0.07102000       1.09171000       0.68424833       0.61900837       1.25859508
Cr       3.11421000      -1.48408000       3.35713000       0.23636419       1.57774165      -3.41142991
Cr       4.27406000       0.05218000       0.95730000      -0.13202040      -1.32693376       2.91772935
Cr       2.78063000       1.41033000       3.24151000      -1.07288300       0.58849405       2.10053349
O       -0.02377000       1.35981000       0.82829000      -0.21217382      -0.45600359       2.19805224
O       -1.75772000       3.11943000       3.48387000      -1.08574604      -0.85877993      -0.20975836
O       -1.55757000       0.24130000       3.18250000       0.16420154      -1.38353573      -1.40104674
O        2.81800000       1.38673000       1.38531000       0.14484991       0.02840071      -2.43204037
O        2.07586000       4.34913000       1.30732000       0.70166848       0.99665011       0.49970514
O        1.45134000      -0.15883000       3.16031000       1.47420004      -0.57153267      -1.10047207
O       -0.69500000       4.22677000       0.99221000      -1.37925055       2.82864355      -2.48016815
O        1.19373000       2.68342000       3.41555000       0.92242819      -0.36976099       0.49663697
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.77535091 magmom=19.9987873 free_energy=-108.77535091 stress="-0.06245359853025263 0.00518338193941021 -0.0030620176741502983 0.00518338193941021 -0.070584784013096 -0.009590487428488134 -0.0030620176741502983 -0.009590487428488134 -0.04464214218422828" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.47613000       2.95534000       0.01788000       1.34093111      -0.61206635       0.52850202
Cr      -0.33732000       2.77641000       2.15996000      -0.98397931       1.19450188       1.20246005
Cr       1.44219000      -0.07457000       1.13340000      -0.37914946       1.49981527      -0.69001759
Cr       3.21597000      -1.40533000       3.27070000       0.56920069       0.20954859       0.24144195
Cr       4.32632000      -0.01589000       0.95976000       0.13803491       4.03620576       1.39129464
Cr       2.65778000       1.36964000       3.31978000       1.12961217       2.18618945      -0.80027158
O        0.07725000       1.41044000       0.97459000      -0.16911341      -1.71201201      -2.20585559
O       -1.88478000       2.88928000       3.44054000      -0.06256054       1.51821625       0.86345239
O       -1.43567000       0.33667000       3.14127000      -2.09717470      -1.08998719      -1.89635386
O        2.73288000       1.53889000       1.31723000       1.22363893      -2.17428433       0.26290424
O        2.28098000       4.49004000       1.25216000      -1.38609324      -1.08028498       0.35094380
O        1.56640000      -0.17658000       3.09757000      -0.44490979      -0.78432351       0.45474009
O       -0.90118000       4.45350000       0.96890000       2.20225254      -1.77605869      -0.08750801
O        1.29073000       2.88384000       3.35141000      -1.08068989      -1.41546012       0.38426745
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.44971591 magmom=20.0027038 free_energy=-109.44971591 stress="-0.054926720379965745 -0.010435692609003025 0.0051732202133004685 -0.010435692609003025 -0.07225329899783293 -0.006684149719181822 0.0051732202133004685 -0.006684149719181822 -0.04562487009921547" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48736000       2.88193000       0.05151000       0.25643475      -0.02146045      -1.31548701
Cr      -0.46726000       2.73577000       2.21999000       0.38606296       0.06718929      -0.55337052
Cr       1.47409000      -0.01312000       1.14033000      -0.19697987      -1.03596749      -0.48833999
Cr       3.30416000      -1.35006000       3.19781000      -3.19648004      -2.84632283       0.70382756
Cr       4.37818000       0.08966000       1.03219000      -0.25762731      -0.55787744      -1.60702775
Cr       2.59932000       1.44203000       3.35395000       0.72631789      -0.18544925      -1.59715972
O        0.06325000       1.30584000       0.88954000       0.08565992       1.65429112      -0.13695966
O       -1.95042000       2.92554000       3.47789000       0.70994497       1.00535724       0.12156155
O       -1.54121000       0.20474000       2.93683000       1.24134384       1.55024909       1.77208932
O        2.84893000       1.37711000       1.18716000       0.54805985      -0.02318945       1.32925417
O        2.27931000       4.43518000       1.20749000      -0.42734211       0.38810554       0.54188614
O        1.58311000      -0.24301000       3.13504000      -0.09896270       0.61589601      -0.06303658
O       -0.72999000       4.40891000       0.93380000      -0.14796068      -0.26001494       0.49890558
O        1.19057000       2.82482000       3.33947000       0.37152852      -0.35080646       0.79385691
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.03727313 magmom=20.0004522 free_energy=-109.03727314 stress="-0.05233738144807662 0.025481067243145236 0.013492285088522996 0.025481067243145236 -0.030999949153670738 -0.012041632170594709 0.013492285088522996 -0.012041632170594709 -0.04987581598219761" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.52674000       2.81070000       0.02177000      -0.28944169       0.14025002      -0.23874530
Cr      -0.55564000       2.71389000       2.25492000       1.52283736      -0.23084352      -1.54384143
Cr       1.48383000      -0.00308000       1.11888000      -0.03263432      -0.86493368       0.35314633
Cr       3.22247000      -1.42492000       3.16750000      -1.98653482       1.11147884       0.42273897
Cr       4.42774000       0.17664000       1.03287000       0.02397592      -3.47406171       0.48804837
Cr       2.59700000       1.50507000       3.30927000       2.00848953      -1.67765880       0.39876852
O        0.02924000       1.45810000       0.81280000       0.68363261      -0.26642641       0.51082004
O       -1.86676000       3.12055000       3.49533000      -1.17271682      -0.58852509       0.67315523
O       -1.46501000       0.23114000       3.05602000      -0.38965441       0.42080692      -0.43637995
O        2.96812000       1.29959000       1.23270000      -1.23045149       1.94450853       0.75473786
O        2.19069000       4.36057000       1.21802000       0.76500790       0.95674510       0.48510051
O        1.55176000      -0.16325000       3.17422000       0.68798998      -0.03314015      -1.11161586
O       -0.51224000       4.26456000       0.97804000      -1.54596611       1.66056726      -0.89927181
O        1.08730000       2.69358000       3.43445000       0.95546635       0.90123269       0.14333852
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.82853468 magmom=20.0088844 free_energy=-108.82853469 stress="-0.024226950940414074 0.018154679173558442 0.008405158098784312 0.018154679173558442 -0.009971506338684929 0.0020335743436158374 0.008405158098784312 0.0020335743436158374 -0.1016537716289213" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02551000      -0.13152000       4.32219000      -0.47381122       1.13059594       0.33295507
Cr      -0.55939000       2.70714000       2.21175000      -0.06584181       1.00301365       0.59648024
Cr       1.49514000      -0.04920000       1.11063000       0.46791680       1.90711010      -0.42079001
Cr       2.99251000      -1.46849000       3.17218000       1.57058140       1.44380301       1.71329072
Cr       4.47126000       0.08334000       1.05590000      -0.84877343      -0.39898464       2.25665584
Cr       2.71134000       1.48166000       3.27980000       1.18529547       0.63849688       1.46252762
O        0.05851000       1.59241000       0.87155000       0.23510892      -2.80686208      -1.35281140
O       -1.89575000       3.19102000       3.52111000      -0.78198442      -0.54459502      -0.11635188
O       -1.37958000       0.36176000       3.19649000      -1.94893371      -0.01676415      -2.72328628
O        2.89429000       1.57636000       1.37698000       1.17475215      -2.47940747      -0.13708724
O        2.26041000       4.40259000       1.27004000       0.26642046       0.42651530      -0.65082241
O        1.56916000      -0.04281000       3.06585000       0.01768856      -1.31240583       0.06892353
O       -0.56824000       4.35746000       0.94392000      -1.21786054       0.54422989       0.03267879
O        1.11379000       2.70937000       3.51628000       0.41944137       0.46525442      -1.06236257
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.04801267 magmom=20.0051084 free_energy=-108.04801267 stress="-0.07840988488352307 0.013606757168329292 0.015672345766387555 0.013606757168329292 -0.0842297927007674 -0.002840196100057835 0.015672345766387555 -0.002840196100057835 -0.08377636722284645" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03400000      -0.12028000       4.27551000      -1.22118227       0.95843460       0.33190736
Cr      -0.53508000       2.75448000       2.16152000       0.13061007      -0.17969537       0.00146729
Cr       1.52973000      -0.01000000       1.07413000      -0.08311453       1.65445846      -0.50238036
Cr       2.81240000      -1.42777000       3.25918000       4.58844225       0.18659211      -0.13200039
Cr       4.45784000      -0.05429000       1.18789000      -1.40945218       3.55555707      -2.22246164
Cr       2.89223000       1.48095000       3.32666000      -3.80195198       0.92118006      -0.49824387
O        0.05545000       1.34706000       0.87462000      -0.30598363       0.89091756       0.18816199
O       -1.99409000       3.11634000       3.46952000       1.18205907       0.91961247      -0.05821451
O       -1.43778000       0.41659000       2.99798000       1.51423522      -1.66970539       2.17693051
O        2.94246000       1.58124000       1.39831000       0.35010350      -1.72996068      -1.03883102
O        2.37168000       4.47943000       1.23812000      -2.57840407      -1.48938365       0.38109711
O        1.55068000      -0.09193000       3.00208000      -0.36472694       0.72620665       0.73784071
O       -0.78009000       4.50036000       0.93462000       3.18518981      -2.84316974       0.21650126
O        1.16636000       2.79865000       3.41657000      -1.18582432      -1.90104416       0.41822557
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.2339248 magmom=19.9991721 free_energy=-108.23395339 stress="-0.06603080018554719 0.01563539972733573 -0.0049313721829587695 0.01563539972733573 -0.04397240557961836 0.008566454629169933 -0.0049313721829587695 0.008566454629169933 -0.053981603374548506" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00425000      -0.04830000       4.26736000       1.79148994      -0.04265700       3.26037422
Cr      -0.49130000       2.80273000       2.11715000       1.09675715      -1.44450114       0.19004686
Cr       1.56027000       0.11913000       1.01351000      -1.16221061      -1.86647348       1.07699717
Cr       2.85678000      -1.38979000       3.34673000       1.49624660      -1.32716072      -1.52260933
Cr       4.37963000      -0.07435000       1.20796000       0.69571984      -1.59255420      -1.92907054
Cr       2.89387000       1.52074000       3.35347000      -2.24817365      -1.24849932      -1.24852459
O       -0.04386000       1.25524000       0.92599000       0.38962823       1.13255851      -0.29957627
O       -1.87422000       3.13918000       3.36324000      -1.10135889       0.73669655       1.34105731
O       -1.33214000       0.19380000       3.12810000      -4.23193253       0.63965428      -1.68009142
O        3.03485000       1.31606000       1.16830000       0.00320652       1.27260351       1.11674336
O        2.12859000       4.36580000       1.25375000       0.60180555       0.49927584       0.75089022
O        1.47794000      -0.06302000       3.10128000       1.70294331       0.33000886      -1.03988242
O       -0.58643000       4.27418000       0.98264000      -0.67972558       2.60336851      -1.61474922
O        1.05738000       2.66857000       3.33939000       1.64560413       0.30767980       1.59839463
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.03328442 magmom=20.0032361 free_energy=-109.03328442 stress="-0.04591913302496244 0.007815904474843278 0.0019630931441438244 0.007815904474843278 -0.056291234673594856 -0.01411228745724062 0.0019630931441438244 -0.01411228745724062 -0.03779092517263625" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.56673000       2.91980000       0.01523000      -0.09451786       0.18241242      -0.57411342
Cr      -0.39194000       2.80593000       2.09956000      -0.00756928       1.15244215       1.35974294
Cr       1.52785000       0.15385000       1.01520000      -1.08189935      -1.83845670       1.06388235
Cr       2.98370000      -1.42526000       3.34733000      -0.73611565      -0.73230534      -0.79997406
Cr       4.34369000      -0.14732000       1.10997000       0.70427272      -0.20336682       0.45409360
Cr       2.76797000       1.49986000       3.30750000       0.60413457      -0.28883296      -1.12443040
O       -0.09573000       1.36875000       0.95835000       0.95327452      -1.78033047      -0.99475774
O       -1.84801000       3.21146000       3.40274000      -0.93859226      -0.78465482       0.22015089
O       -1.66943000       0.03987000       3.20544000       1.51848389       1.70787942      -1.10359601
O        3.05607000       1.29923000       1.08204000      -0.34160588       0.93017134       1.50652832
O        2.01824000       4.29435000       1.34184000       1.42498106       0.87066188      -0.05962747
O        1.57968000       0.00949000       3.11702000      -0.68172925      -1.11223194      -0.67272271
O       -0.49293000       4.33656000       0.87333000      -1.71262657       1.31008090       0.21429809
O        1.12370000       2.61232000       3.45465000       0.38950933       0.58653092       0.51052562
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.29525916 magmom=20.0009616 free_energy=-109.29525916 stress="-0.06571707596596083 0.013622687908841068 0.004489279394433166 0.013622687908841068 -0.0727555257745526 -0.012415952331190078 0.004489279394433166 -0.012415952331190078 -0.06955640450823386" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.60250000       2.99377000       0.08828000      -0.40221423      -0.81388480      -2.05389436
Cr      -0.30287000       2.84650000       2.14421000      -0.72869153       0.60330559       0.22683513
Cr       1.45192000       0.08897000       1.07062000       0.74648454      -0.47973479      -0.03495946
Cr       3.05930000      -1.48102000       3.30191000      -0.38035896       1.44706116       0.37992245
Cr       4.34606000      -0.20372000       1.05848000      -0.28966287       4.04631084       2.06502531
Cr       2.68736000       1.46069000       3.21619000       1.12736186       0.19904739       0.11080895
O       -0.02147000       1.31538000       0.91952000      -0.36137430       0.42012629       0.20920581
O       -1.92823000       3.09437000       3.43542000       0.78368620      -0.34212140      -0.39498244
O       -1.71971000       0.15486000       3.09726000       2.05475100      -0.30521004       0.14734617
O        2.94597000       1.47013000       1.22811000      -0.29745941      -1.38418669       0.39423169
O        2.19233000       4.34543000       1.34622000      -1.28512239       0.39890701       0.04681157
O        1.52378000      -0.10133000       3.07458000      -0.40195096      -0.67166868      -0.05562089
O       -0.66492000       4.52183000       0.85428000       0.68962376      -2.85298820       0.73645266
O        1.19346000       2.70175000       3.52909000      -1.25507273      -0.26496366      -1.77718260
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.27973837 magmom=20.0007343 free_energy=-109.27973864 stress="-0.0325641746251101 0.00835450810243155 -0.008349181754581249 0.00835450810243155 -0.02863243733833418 0.0005120894221951188 -0.008349181754581249 0.0005120894221951188 -0.08066023113323913" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.61522000       3.01062000       0.05971000      -0.26755000      -0.51363886      -0.51002114
Cr      -0.27697000       2.91238000       2.19329000      -1.62755170      -0.29248030      -1.09206874
Cr       1.40368000      -0.00439000       1.11021000      -0.05238708      -0.81097890      -0.81300460
Cr       3.10292000      -1.46727000       3.28024000       0.17803662       0.61163193       0.08742078
Cr       4.35220000      -0.05923000       1.10228000       0.44425569       1.31152255      -0.44396111
Cr       2.68615000       1.42982000       3.16550000       0.18843094      -0.55750957       2.79509374
O       -0.01726000       1.33447000       0.92510000      -0.30882918       0.01838271      -0.50863697
O       -1.89381000       2.92118000       3.39360000      -0.52633171       1.10383149       0.80201275
O       -1.39834000       0.23539000       3.04826000      -1.90826512      -0.78324854       0.29816775
O        2.75402000       1.45462000       1.32101000       0.81813689      -1.03298377      -1.67678907
O        2.20405000       4.42096000       1.29381000      -0.83055719       0.27201837       0.55491343
O        1.38507000      -0.28967000       3.07089000       1.95891358       0.47483043      -0.16302638
O       -0.74836000       4.29047000       0.96812000      -0.55252861       1.38154317      -1.90453812
O        1.10932000       2.75560000       3.36123000       2.48622686      -1.18292072       2.57443768
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.3949681 magmom=20.0014335 free_energy=-109.3949681 stress="-0.039055925674883 0.01581408696835729 0.0029293965278662493 0.01581408696835729 -0.030057383383833233 0.0041204600880417495 0.0029293965278662493 0.0041204600880417495 -0.049831024035374566" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06733000       0.10405000       4.35425000       0.83587035       0.34465522       1.08230070
Cr      -0.32410000       2.95238000       2.20878000       0.99441737      -0.56707171       0.54670577
Cr       1.35741000      -0.12691000       1.09877000       0.06950839       0.92153901      -0.34142969
Cr       3.15622000      -1.41789000       3.26847000      -0.09519293      -1.61645282      -0.20636606
Cr       4.36604000       0.16371000       1.13026000      -1.69928992      -2.60884240      -1.24703764
Cr       2.70794000       1.37701000       3.24530000      -0.07936932      -0.30012324      -0.46206983
O       -0.07222000       1.41861000       0.89796000       1.20766479      -0.02464007      -0.02062859
O       -1.89046000       2.92250000       3.43607000      -0.75374251       0.56585772       0.36907838
O       -1.38107000       0.13842000       3.09666000      -2.13275817       0.34951380      -0.77747275
O        2.70365000       1.30811000       1.15217000       1.21162418       0.21366438       1.40067079
O        2.12211000       4.44956000       1.26256000       0.98080597      -0.64074768       0.17156010
O        1.51806000      -0.32418000       3.11471000       0.19373068       0.73995464      -0.57515022
O       -0.83851000       4.19229000       0.84162000       0.08333502       1.66858306       0.26233831
O        1.25906000       2.64736000       3.46209000      -0.81660389       0.95411008      -0.20249928
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.6918752 magmom=20.0013795 free_energy=-108.6918752 stress="-0.08618139680571228 0.01732630977734462 0.011029972919699716 0.01732630977734462 -0.07093439841435989 -0.00843448450349526 0.011029972919699716 -0.00843448450349526 -0.046340675825694844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09565000       0.07552000       4.32936000       0.07674195      -0.60975276      -0.23486022
Cr      -0.34706000       2.95139000       2.24274000       0.41266010       0.04006553       0.23786441
Cr       1.33460000      -0.20576000       1.06743000       2.33193601       2.63901269       0.99920003
Cr       3.19379000      -1.46886000       3.24633000      -1.94425699      -1.04481629      -0.21995770
Cr       4.31154000       0.26662000       1.08260000       1.52767819      -4.04025316      -0.40762277
Cr       2.71998000       1.32232000       3.31485000      -0.86690335       2.78249864      -1.30772805
O        0.02265000       1.50675000       0.91491000      -0.04248583      -1.06451402       0.04998655
O       -1.94672000       3.02069000       3.49228000       0.85431619      -1.09597135      -0.53487978
O       -1.65677000       0.10811000       3.09852000       2.83354039       1.26797873      -0.33595299
O        2.83271000       1.27381000       1.14971000      -1.93276984       1.81490517       0.95372185
O        2.20548000       4.32376000       1.20891000      -0.79423807       1.14176975       1.05681526
O        1.64797000      -0.18832000       3.11077000      -1.72577707      -1.65713328      -0.82754540
O       -0.85789000       4.35225000       0.85951000       0.06185428      -0.44557908       1.38699275
O        1.24585000       2.71679000       3.50237000      -0.79229595       0.27178943      -0.81603391
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.83475412 magmom=20.0048935 free_energy=-107.83507816 stress="-0.06413471368012613 -0.0035574296965799296 -0.0013078050526999679 -0.0035574296965799296 -0.03022979793939083 0.008425100463181094 -0.0013078050526999679 0.008425100463181094 -0.06821593263258782" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12945000       0.00103000       4.30818000      -1.88382926       0.78267072      -0.17088435
Cr      -0.36478000       2.92806000       2.27796000      -1.79130189      -1.00224660      -2.82796961
Cr       1.45319000      -0.13446000       1.08605000       0.10987757       2.15666173       0.10152813
Cr       3.14686000      -1.59068000       3.19577000       0.91186831       3.86394798       0.30506228
Cr       4.28690000       0.16628000       0.99379000       0.48194379      -0.42971475       2.70986290
Cr       2.67744000       1.39396000       3.32168000       0.01831392      -0.11642196      -0.41628814
O        0.09979000       1.44623000       0.99988000      -0.86216770      -0.97450835      -1.48045202
O       -1.87101000       2.94925000       3.42946000      -1.25730708      -0.00067221       1.41478905
O       -1.54490000       0.25622000       3.05722000      -0.19247355      -1.03734096       0.04237427
O        2.78181000       1.55999000       1.32149000       0.71436582      -2.27337403       0.10985967
O        2.24501000       4.28014000       1.24099000      -0.44612475       1.43854668      -0.17939442
O        1.48722000      -0.20676000       3.00276000       1.96041645      -0.14824290       0.60260834
O       -0.79494000       4.47880000       1.22333000      -0.84284082       0.12251818      -3.09496870
O        1.02348000       2.92528000       3.38646000       3.07925918      -2.38182354       2.88387258
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.50263852 magmom=20.0044699 free_energy=-108.50263853 stress="-0.046487232183434445 -0.004733286974449403 0.006134447702209287 -0.004733286974449403 -0.04505274307021021 0.006642990967303972 0.006134447702209287 0.006642990967303972 -0.08358027024082762" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06676000      -0.05715000       4.28316000      -0.72822862       0.97372759       0.58174820
Cr      -0.45196000       2.85204000       2.19060000       0.39128347      -0.68991393      -0.44872422
Cr       1.58599000       0.07147000       1.12150000      -3.57551293      -0.89736936      -0.45848455
Cr       3.12776000      -1.52433000       3.15977000       0.41002219       1.33158979       1.97049975
Cr       4.31002000       0.00756000       1.05135000       1.79370924       1.49425905       2.15978563
Cr       2.62803000       1.48129000       3.31422000       1.05554350      -1.67972546       1.86615991
O       -0.01656000       1.28385000       0.91973000       0.48561187       1.48234374      -0.87933747
O       -1.88906000       2.86839000       3.50650000      -0.11681826       1.96655429       0.10514618
O       -1.35730000       0.21717000       3.05546000      -2.76930043      -0.40968398      -0.51065354
O        2.79348000       1.60461000       1.41915000       0.92070204      -1.52843602      -0.72753919
O        2.22735000       4.44312000       1.21182000      -0.44002494      -0.98638870      -0.03918623
O        1.52526000      -0.23179000       3.05745000       1.80956422       0.46836144       0.26041945
O       -0.77263000       4.51206000       1.16919000       0.62588074      -0.88969879      -2.08269799
O        1.11887000       2.77496000       3.52644000       0.13756790      -0.63561965      -1.79713592
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.12166964 magmom=20.0037476 free_energy=-109.12166964 stress="-0.06492295811810164 0.002002935561747026 0.004878125912296423 0.002002935561747026 -0.05799859076310896 -0.0007304450488209247 0.004878125912296423 -0.0007304450488209247 -0.0758695102349605" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02262000      -0.05630000       4.28453000       0.68018643       0.17370141       1.00575584
Cr      -0.51282000       2.76533000       2.08573000       0.27211646       0.37310905       1.13047330
Cr       1.52726000       0.18620000       1.12214000      -1.05942783      -2.50828901      -0.13456100
Cr       3.13158000      -1.41130000       3.21644000      -1.10430067      -2.30208690       0.08986579
Cr       4.41350000      -0.06798000       1.17682000      -0.42959122       0.78659566      -2.88789196
Cr       2.65918000       1.48030000       3.37447000       2.68801275      -0.23425449      -1.64740400
O       -0.08505000       1.38540000       0.80018000       0.98072524      -0.13452313       0.94977440
O       -1.90035000       3.05841000       3.54032000       0.40434179       0.40595690      -1.00609036
O       -1.50872000       0.09136000       3.07003000       0.08021858       1.30335368       0.21584245
O        2.93986000       1.44082000       1.32848000       0.79367034       0.31047337       0.18760423
O        2.17974000       4.46010000       1.16300000      -0.00999629      -0.26563993       0.90417667
O        1.71087000      -0.14063000       3.20550000      -2.16595200      -0.34691282      -1.13353917
O       -0.65520000       4.36685000       0.87204000      -0.06614194       0.66306305       2.37806829
O        1.17741000       2.59768000       3.43274000      -1.06386162       1.77545315      -0.05207449
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.56187401 magmom=20.0001883 free_energy=-109.56187401 stress="-0.02934959586198451 0.025057599036711647 0.015083177220457418 0.025057599036711647 -0.034499921464588634 -0.009251549428176502 0.015083177220457418 -0.009251549428176502 -0.03652126213200078" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04880000      -0.04195000       4.33451000       0.26295886      -0.11986042       0.83332713
Cr      -0.53259000       2.73647000       2.07518000       0.21750657       0.66857563       1.70936983
Cr       1.45089000       0.14184000       1.11011000       2.11970076      -1.38012579       0.19650303
Cr       3.07314000      -1.43133000       3.26432000      -1.19108222      -0.02799307      -1.03494777
Cr       4.45942000      -0.07453000       1.13920000      -1.67746864       0.34998745      -1.16141515
Cr       2.77533000       1.46751000       3.35347000      -0.59225756       0.42848014      -1.32120027
O       -0.00036000       1.44156000       0.86794000       0.50752923      -1.72020135      -0.69177486
O       -1.84755000       3.20568000       3.40231000      -0.92439369      -0.80816977       1.23147709
O       -1.56834000       0.16468000       3.13556000       0.49562706       0.32717893      -0.48310278
O        3.08335000       1.39095000       1.24778000      -0.82242663       0.13305226       0.67357515
O        2.17817000       4.40533000       1.24496000       0.32839402       0.61192827       0.33051957
O        1.53930000      -0.09301000       3.15564000       0.52802877       0.00638634      -0.88944601
O       -0.58733000       4.34130000       0.97346000      -0.52568153       1.66461634      -0.74668245
O        1.12208000       2.72276000       3.33053000       1.27356498      -0.13385498       1.35379750
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.35508031 magmom=20.0015415 free_energy=-109.35508031 stress="-0.053364593154098285 0.008250997136257801 0.005924626222082994 0.008250997136257801 -0.06118409212653018 0.000457297703941131 0.005924626222082994 0.000457297703941131 -0.05024373276012792" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.49848000       2.85644000       0.06527000       0.10167085       0.15628221      -0.40371220
Cr      -0.51690000       2.75905000       2.15078000       0.78459147      -0.21156492      -0.47820066
Cr       1.50226000       0.01659000       1.10874000       0.54460031       0.51212034      -0.65755511
Cr       2.96248000      -1.45329000       3.25431000       2.27481311       2.57469252       0.70741503
Cr       4.40423000      -0.05134000       1.03277000       0.44404701       1.10048336       1.54104937
Cr       2.85232000       1.47958000       3.24975000      -1.92780111       0.21686229       0.48535263
O        0.08937000       1.30122000       0.92418000      -1.05543986       1.17529647      -0.47515154
O       -1.91080000       3.14755000       3.39860000      -0.34904346      -0.08244461       0.82589773
O       -1.46638000       0.28699000       3.17459000      -0.91149201      -0.63605475      -1.22766406
O        3.03069000       1.41533000       1.23738000      -0.03216819      -0.72256285       0.74612502
O        2.26361000       4.40931000       1.33154000      -0.63029359      -0.04798945      -0.71777047
O        1.39996000      -0.05389000       3.01955000       1.98052224      -0.29254867       1.15990260
O       -0.63227000       4.49811000       1.03515000      -0.20305503      -1.68012158      -1.44740748
O        1.20658000       2.81682000       3.42222000      -1.02095172      -2.06245037      -0.05828085
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.10083899 magmom=20.0005184 free_energy=-109.10083899 stress="-0.04350117049217649 0.00629153284296882 0.0013048854182855893 0.00629153284296882 -0.05884552621478372 -0.005275044455323511 0.0013048854182855893 -0.005275044455323511 -0.0773192450581039" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.51282000       2.88795000       0.13606000       0.11684367      -0.45988083      -2.35571668
Cr      -0.44546000       2.79788000       2.23447000       0.01659278       0.47147630      -0.70326658
Cr       1.57636000      -0.11683000       1.08013000      -3.63955996       1.47005953      -0.11476579
Cr       2.95182000      -1.35294000       3.27716000       2.94569912      -1.47831175       1.01527381
Cr       4.36143000       0.03487000       0.99772000       1.63241620      -0.87812755       2.04960832
Cr       2.81822000       1.49837000       3.15669000      -1.82097994      -1.06271656       2.60164251
O       -0.02193000       1.36732000       0.94596000       0.55335004      -0.03061399      -0.92127742
O       -1.96926000       3.02166000       3.49619000       1.02958581       1.79572857      -0.41531808
O       -1.43879000       0.26498000       3.07241000      -0.84413324      -0.57377298      -0.25795963
O        2.87556000       1.37837000       1.27299000       0.78389912      -0.44795593      -0.95733965
O        2.28086000       4.38272000       1.27582000      -0.41653549       0.40754177       1.01613844
O        1.59213000      -0.07093000       3.09839000      -1.00002963      -0.34655939      -0.33854201
O       -0.71310000       4.37611000       0.84506000       0.54420669      -0.07400479       0.67571299
O        1.14027000       2.63888000       3.46943000       0.09864484       1.20713760      -1.29419024
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.00934461 magmom=20.0045766 free_energy=-108.00934485 stress="-0.0677840857868546 0.005981531833372262 -0.01126547306063399 0.005981531833372262 -0.05046052741028738 0.00156910904663227 -0.01126547306063399 0.00156910904663227 -0.09506320861425967" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54378000       2.91518000       0.08802000       0.62396484      -0.27439488      -1.26570138
Cr      -0.35258000       2.88182000       2.28205000      -2.02061553       0.75066080      -2.59454231
Cr       1.45991000      -0.20826000       1.02985000      -0.35984854       1.37629023       1.10335517
Cr       3.13889000      -1.29204000       3.36794000      -0.37171568      -2.98739495      -1.88658598
Cr       4.40258000       0.10240000       1.07068000      -1.41563172      -2.17273912      -1.53143060
Cr       2.65895000       1.47079000       3.17310000       0.69233442      -0.10455409      -0.34399420
O       -0.14426000       1.53563000       0.88195000       1.35445329      -1.50004360       0.79207235
O       -1.83234000       3.08373000       3.48641000      -1.80456832      -0.29302784      -0.01115222
O       -1.53107000       0.10835000       2.96341000       1.14508040       2.05883007       1.37843242
O        2.77126000       1.28450000       1.15172000       0.68821260       0.15834324       0.90946387
O        2.22891000       4.36535000       1.29511000       0.15710670       0.46901053       0.67970905
O        1.63848000      -0.15066000       3.20203000      -1.89808241      -0.51970008      -1.49712789
O       -0.69133000       4.14816000       0.75845000      -0.16271493       2.41602623       1.01441777
O        1.05801000       2.59210000       3.31660000       3.37202489       0.62269345       3.25308395
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.50499442 magmom=20.0047147 free_energy=-108.50499455 stress="-0.059087077892030625 0.0149748420732916 0.012252559446409817 0.0149748420732916 -0.049093452437675225 0.005659241941423791 0.012252559446409817 0.005659241941423791 -0.05939064313801277" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05319000       0.03946000       4.33932000      -0.91739344       0.40009021       1.90830632
Cr      -0.31606000       2.99205000       2.22236000       1.12641241      -0.91182044       1.15152844
Cr       1.32387000      -0.21544000       1.03818000       3.76162046       3.03493578       0.91193054
Cr       3.33395000      -1.38436000       3.37728000      -3.38653196       0.21146479      -1.30884791
Cr       4.38193000       0.06614000       1.09879000      -1.50917328      -0.42162133       0.30014608
Cr       2.52766000       1.40798000       3.18969000       2.25513482      -0.81730342      -0.66646950
O       -0.08126000       1.50109000       0.96117000       0.97587032      -1.33952190      -0.21319668
O       -1.88383000       3.07192000       3.39111000      -0.16732862      -1.50418097       0.74973477
O       -1.46146000       0.23216000       3.09711000      -1.01532353       0.51606544      -0.37315896
O        2.76594000       1.27395000       1.12484000       0.31069449      -0.06344241       1.25051281
O        2.22953000       4.37318000       1.35828000       0.07809513       0.02635968      -0.42597738
O        1.34958000      -0.25514000       3.06378000       2.27877655      -0.00433516      -1.39491151
O       -0.69036000       4.26530000       0.89381000      -2.49632399       0.25966986      -1.54667523
O        1.27802000       2.76640000       3.50438000      -1.29452935       0.61363988      -0.34292179
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.68723269 magmom=20.0041928 free_energy=-108.68723269 stress="-0.04122333349054946 0.02769578491155574 0.004355290327801542 0.02769578491155574 -0.0350999260193424 0.015000924266389095 0.004355290327801542 0.015000924266389095 -0.059463610586471496" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06651000       0.04930000       4.32454000      -0.01723076      -0.05020714       1.02040166
Cr      -0.25583000       3.04066000       2.20062000       0.18213533      -0.06494310       0.21585305
Cr       1.37692000      -0.10249000       1.07123000       0.74728795      -0.44156621      -2.02101714
Cr       3.32980000      -1.46096000       3.31813000      -1.58758790       0.71447663       0.22044465
Cr       4.29568000       0.02443000       1.12540000       0.82785749       1.34708076       0.34003548
Cr       2.52606000       1.33544000       3.18051000       1.31746172       1.85137884       1.46131079
O        0.07891000       1.32507000       1.04638000      -0.74040224       0.70369771      -0.98015699
O       -1.93019000       2.86284000       3.37834000       0.06837759       0.70455798       0.46332380
O       -1.49443000       0.37183000       3.20679000      -1.46892852      -1.91266894      -1.13282956
O        2.80901000       1.32743000       1.25409000      -0.05402412      -0.15194971      -0.43644073
O        2.26465000       4.34425000       1.29864000      -0.83553864       0.25583111       0.47798013
O        1.35355000      -0.29539000       2.90934000       1.26507616       0.12009787       1.99357027
O       -0.93141000       4.39140000       0.88818000       1.21032103      -1.17152829      -0.39540845
O        1.24354000       2.96462000       3.55957000      -0.91480509      -1.90425752      -1.22706695
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.4084273 magmom=20.0016894 free_energy=-109.4084273 stress="-0.05203333990005005 -0.00038188598688607204 -0.014836157369548355 -0.00038188598688607204 -0.05503578318723149 0.00877224985531383 -0.014836157369548355 0.00877224985531383 -0.05060065020766529" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.60308000       2.94190000       0.00581000       0.02498157      -0.08454390      -0.49542167
Cr      -0.22016000       3.06416000       2.18950000      -2.03849584      -0.09781828      -1.83017026
Cr       1.47597000      -0.01837000       1.02214000      -1.16801206      -1.28683136       0.75836681
Cr       3.21183000      -1.49574000       3.27629000      -2.23068859      -1.32537853       0.47604259
Cr       4.26901000       0.04960000       1.14991000       1.70191788      -0.39155082      -1.24738655
Cr       2.59988000       1.37199000       3.25305000       0.12069037       0.76921461       0.43188787
O        0.06009000       1.30759000       0.96838000      -0.87192225       0.42889771      -0.33608402
O       -1.88636000       2.82102000       3.42050000      -0.09276555       1.34036608      -0.17411334
O       -1.67154000       0.10399000       3.15646000       1.72619620       1.06085408      -0.27600762
O        2.83222000       1.37824000       1.26581000       0.07846273      -0.08886403      -0.03800616
O        2.19168000       4.34506000       1.26035000      -0.60729092       0.63581038       0.68124524
O        1.53973000      -0.25397000       3.09460000      -0.23971528      -0.46529850      -0.82060896
O       -0.92716000       4.30814000       0.85095000       0.67661606       0.86390308       0.21528268
O        1.07271000       2.81529000       3.41217000       2.92002568      -1.35876052       2.65497338
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.20137026 magmom=20.0007604 free_energy=-109.20137026 stress="-0.04805178304346906 0.023108362866706488 -0.0068727175250515304 0.023108362866706488 -0.04684751516503966 0.011021974794003934 -0.0068727175250515304 0.011021974794003934 -0.06586348848812262" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59347000       2.94513000       0.02689000      -0.13824676       0.29481006      -0.74526855
Cr      -0.26302000       3.05145000       2.12737000       0.70061165      -1.97999982       1.33275828
Cr       1.50709000       0.00820000       1.00109000      -1.76407372       0.76368095       1.39192344
Cr       2.99198000      -1.57589000       3.26184000       1.49959006       1.28323561      -0.31722530
Cr       4.33451000       0.06217000       1.11799000      -0.43044598      -1.60344526       0.50158912
Cr       2.70348000       1.43935000       3.34955000       1.86547877      -2.63192371      -1.95419762
O       -0.12814000       1.39944000       0.85495000       1.16762482      -0.37949793       0.59636153
O       -1.84806000       3.02783000       3.41293000      -0.75428321      -0.45238208       0.02722910
O       -1.55902000      -0.05273000       3.06613000      -0.15776352       1.45052921       0.24130013
O        2.85324000       1.41611000       1.22955000       0.28857041      -0.70667062       1.12690699
O        2.05930000       4.37688000       1.26712000       0.74830307      -0.34667539       0.11512654
O        1.61691000      -0.22388000       3.23685000      -0.96209453       0.05119045      -1.47805415
O       -0.72114000       4.33581000       0.90081000      -0.47238654       2.37913821      -0.32430272
O        1.17258000       2.49107000       3.49979000      -1.59088453       1.87801031      -0.51414680
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.23519731 magmom=20.002729 free_energy=-109.23519732 stress="-0.04358174223334667 0.002233861600235379 0.0018978980347882505 0.002233861600235379 -0.038354705999464805 -0.009898709739055506 0.0018978980347882505 -0.009898709739055506 -0.04902079621582755" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.57728000       2.94390000       0.00991000      -0.01467094      -0.60467655       0.34612515
Cr      -0.29899000       2.94773000       2.11432000      -0.58918103       0.37995697       0.51342265
Cr       1.45676000       0.07748000       1.05608000       1.13244761       1.57315574       0.57290151
Cr       2.85773000      -1.58527000       3.23964000       2.39560759       1.26566413      -0.22013411
Cr       4.38085000      -0.00247000       1.11577000      -1.24710369      -0.34460196       0.46055189
Cr       2.86643000       1.37885000       3.33733000      -0.89195156       0.32747384      -0.73063008
O       -0.13541000       1.43546000       0.86523000       0.87261813      -0.57568366      -0.46115291
O       -1.90860000       3.12923000       3.38056000      -0.37811499      -0.77778730       0.51166213
O       -1.40496000       0.11766000       3.06404000      -1.63300573       0.18763069       0.11972185
O        2.90017000       1.38209000       1.32153000       0.34415111       0.00797128      -0.00388137
O        2.08995000       4.33169000       1.25433000       0.01136398       1.04113863       0.68758645
O        1.49143000      -0.17858000       3.15334000       1.21369511      -0.15746377      -1.04093347
O       -0.59148000       4.59578000       0.98612000      -1.76997340      -2.76752620      -0.73290013
O        1.09378000       2.51028000       3.48092000       0.55411780       0.44474816      -0.02233956
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.5946971 magmom=20.0011655 free_energy=-108.59469713 stress="-0.07364905050922586 0.03143457942536469 -0.0033809534415096118 0.03143457942536469 -0.057782786615481745 -0.00047771913537087107 -0.0033809534415096118 -0.00047771913537087107 -0.07145868954999048" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01300000       0.02678000       4.35579000       1.06363651      -0.41754009       0.88464079
Cr      -0.37891000       2.84021000       2.13870000      -1.39713555       0.65461964       0.06410249
Cr       1.43401000       0.21336000       1.13472000       0.20694666      -2.63112952      -2.14307803
Cr       2.86217000      -1.51862000       3.20321000       2.06132410       0.18817357       0.83698178
Cr       4.36491000      -0.09261000       1.14318000       0.67733071       1.16865728      -1.07852031
Cr       2.97458000       1.34030000       3.28203000      -4.45835872       2.90557129       1.60120844
O        0.00077000       1.41332000       0.87941000      -1.04066391       0.01868516      -0.57636159
O       -1.99244000       3.05330000       3.40523000       0.63699141       0.84563818       0.43508656
O       -1.40303000       0.28939000       3.14138000       0.66367218      -2.37755274      -1.21481891
O        2.98570000       1.37756000       1.34774000       0.11863923       0.46862905      -1.05968764
O        2.20656000       4.39183000       1.28350000      -0.86022691       0.14830849      -0.21069619
O        1.48412000      -0.11879000       2.98669000       0.63739195      -0.08622699       1.80689370
O       -0.69535000       4.42331000       0.97372000       0.42452895       0.01501809      -0.93690158
O        1.03279000       2.71225000       3.40281000       1.26592340      -0.90085142       1.59115049
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.69727633 magmom=20.0021794 free_energy=-108.69733542 stress="-0.04117095291720288 -0.005082997432538743 0.004345635399749806 -0.005082997432538743 -0.046588305546943605 0.003756701066449615 0.004345635399749806 0.003756701066449615 -0.07385588407282793" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59100000       2.85082000       0.02685000       0.21503105       1.23114068      -0.66225623
Cr      -0.54824000       2.74467000       2.18753000       1.17363610      -0.23499958       0.25503615
Cr       1.43663000       0.24540000       1.12204000       1.12203144      -2.22725917      -0.25588618
Cr       3.00325000      -1.41879000       3.20402000       0.80857814       0.06247894       1.15731199
Cr       4.38505000      -0.13274000       1.10854000       1.41940561       1.48056975      -1.23385332
Cr       2.86547000       1.45046000       3.29348000      -1.09599092      -0.46200894      -0.19944576
O       -0.03242000       1.42829000       0.87214000      -0.00207152      -0.58897411      -0.18671763
O       -1.92696000       3.06160000       3.48633000      -0.33902625       1.01492765       0.52427141
O       -1.35806000       0.10000000       3.09013000      -1.86388010       0.62918972      -0.72175564
O        3.06949000       1.46393000       1.17648000      -0.08753666      -1.55058674       2.31210512
O        2.21156000       4.45239000       1.25247000      -1.34695202      -0.47687947      -0.00513723
O        1.60010000      -0.03159000       3.10909000      -0.29627795      -0.42074530      -1.04343548
O       -0.79015000       4.07709000       0.81983000      -0.01384644       2.78362121       0.55147133
O        1.10877000       2.83814000       3.47403000       0.30689952      -1.24047463      -0.49170854
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.35245819 magmom=20.0055472 free_energy=-108.35245858 stress="-0.05083147031526077 0.007924634565982053 0.029761394562224288 0.007924634565982053 -0.053983046130590503 -0.005905872503167162 0.029761394562224288 -0.005905872503167162 -0.08903636268189391" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.65151000       2.84372000       0.02899000      -0.90539757       0.87277810      -0.80969320
Cr      -0.66949000       2.64631000       2.23723000       1.78014079       0.08053966      -0.62115307
Cr       1.49896000       0.15179000       1.09093000       0.24295969      -1.23063900       1.76247709
Cr       3.17297000      -1.32683000       3.26275000      -3.19479140      -1.97413149      -0.27010185
Cr       4.46887000      -0.10090000       1.00404000      -2.47728090       0.07179343       1.09208376
Cr       2.67083000       1.56070000       3.31115000       1.62828701      -1.49863832      -0.80046064
O       -0.10578000       1.39083000       0.89465000       1.80652491      -0.41146123      -0.21573941
O       -1.86120000       3.19510000       3.57743000      -1.09661619      -0.49290799      -0.53036901
O       -1.46635000       0.00007000       2.97906000       1.87757859       3.16565534       0.49012203
O        3.08463000       1.42312000       1.26350000      -0.55043347      -0.31892766       0.88742161
O        2.06560000       4.40345000       1.18505000       1.01339916       0.44858590       0.52123454
O        1.62990000      -0.03560000       3.13502000      -0.32235171      -0.78467506      -1.38912513
O       -0.86644000       4.11398000       0.83973000       0.76922773       1.79948710       0.77786851
O        1.20537000       2.78525000       3.43001000      -0.57124666       0.27254121      -0.89456524
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.02785447 magmom=19.9990862 free_energy=-109.02785447 stress="-0.049493448450399456 0.05669065883301148 0.033192962704352555 0.05669065883301148 -0.02904972935303489 -0.014441886574556613 0.033192962704352555 -0.014441886574556613 -0.05497620792645135" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12100000       0.00543000       4.34433000      -0.75441780      -0.36870483       0.23744730
Cr      -0.67599000       2.57324000       2.23869000       0.91340044       0.06846733      -0.91813702
Cr       1.55979000       0.00196000       1.13305000      -1.90960290      -0.14210292      -1.27597494
Cr       3.18394000      -1.31098000       3.29975000      -0.60869020      -0.14981548      -0.91479244
Cr       4.42194000      -0.04526000       0.96675000      -1.36827567       1.20300525       1.58915127
Cr       2.58360000       1.56502000       3.29098000       2.32000581      -1.50906316       0.57004365
O        0.05913000       1.31399000       0.93003000      -0.31310738       0.68531565      -0.53385335
O       -1.93593000       3.16283000       3.52163000      -0.18406382      -0.66058634       0.26954929
O       -1.33702000       0.30175000       3.02800000      -1.22553215      -0.27235076       0.14911463
O        2.97688000       1.40819000       1.40964000       0.10104879       0.46780202      -1.81713934
O        2.16422000       4.38434000       1.18084000       1.23579910       0.42442914       0.87101107
O        1.56366000      -0.16421000       3.01082000       0.82044800       0.37591600       1.64719589
O       -0.78185000       4.40810000       1.02922000       1.24459293      -0.87105272      -1.19318534
O        1.15536000       2.79222000       3.25853000      -0.27160516       0.74874081       1.31956932
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.62954409 magmom=20.0057553 free_energy=-108.62954443 stress="-0.06071528977961729 -0.013336771154063266 0.02401633573381375 -0.013336771154063266 -0.05903520659462116 -0.019658405821870797 0.02401633573381375 -0.019658405821870797 -0.033842735754642216" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08444000       0.03905000       4.31619000      -0.53590493      -0.25764593       0.91709518
Cr      -0.61785000       2.52986000       2.19812000      -0.03895923       1.12208918       0.13950686
Cr       1.52954000      -0.12962000       1.12498000       0.73845314       2.68613788      -0.61610231
Cr       3.15301000      -1.32412000       3.29281000       0.79517277      -1.52448347       0.19132615
Cr       4.32685000       0.06175000       1.02037000       2.56767285       1.30080657       0.02781834
Cr       2.62634000       1.49096000       3.28559000       0.51164537       1.00346293       0.07617827
O        0.12783000       1.37487000       0.91160000      -0.27719470      -0.74632536      -0.99901806
O       -1.99403000       2.99469000       3.44168000      -0.00780467       1.37012537       0.86047590
O       -1.33464000       0.53830000       3.12951000      -1.74771624      -1.01505498      -1.49995295
O        2.86820000       1.48884000       1.24059000       0.71555047      -1.43911319       0.78637586
O        2.43505000       4.40930000       1.27874000      -1.98715083      -0.19959108       0.59701891
O        1.60156000      -0.18078000       3.14562000       0.42638336       0.49266916      -0.97889471
O       -0.57699000       4.49195000       1.02049000      -2.68430677      -2.26108204      -0.78430971
O        1.03627000       2.88495000       3.31578000       1.52415940      -0.53199504       1.28248229
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.96911113 magmom=19.9990868 free_energy=-108.96911113 stress="-0.052139128817326456 0.011138040405988179 0.00983926892662345 0.011138040405988179 -0.04543902575712832 -0.02853876330885979 0.00983926892662345 -0.02853876330885979 -0.08204013503478032" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01752000       0.06267000       4.33741000      -0.09177999       0.27206878       0.04152534
Cr      -0.53615000       2.56419000       2.17832000      -0.05427367       1.70486317       0.63343136
Cr       1.49542000      -0.13655000       1.07818000      -0.16867439       0.74438512       0.61363045
Cr       3.15626000      -1.41961000       3.28970000      -0.53882484       0.81190422      -0.44664761
Cr       4.35875000       0.20019000       1.07968000       0.21780599      -2.87168083       0.16566968
Cr       2.68907000       1.47869000       3.29305000      -1.11875316       1.02450306      -0.34358596
O        0.05821000       1.37614000       0.82304000       1.01288470      -0.52344302       0.89239990
O       -1.96774000       3.03178000       3.44258000       0.76866486       0.36751738       0.33770476
O       -1.48117000       0.53526000       3.04250000       1.08724885      -1.49794685       0.21095284
O        2.86512000       1.40050000       1.11747000      -0.31726270      -0.05424609       1.33750075
O        2.37772000       4.41939000       1.39281000      -1.11210934       0.28246183      -1.38034590
O        1.64815000      -0.09477000       3.17242000      -0.92163363      -1.13174227      -1.38869367
O       -0.71007000       4.22711000       0.88800000       0.67345260       1.29208174       0.82525631
O        1.11779000       2.84120000       3.54581000       0.56325470      -0.42072626      -1.49879824
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.83863808 magmom=20.0040923 free_energy=-108.83863808 stress="-0.04385153428023359 0.04181371501760463 0.00927410356455003 0.04181371501760463 -0.03714861060092184 -0.011809891009739044 0.00927410356455003 -0.011809891009739044 -0.08036630153528701" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.49077000       2.98528000       0.01309000       1.31830243      -0.68349574      -0.52727578
Cr      -0.42642000       2.72296000       2.18975000       1.32332875       0.16825307       0.32162167
Cr       1.45400000      -0.08138000       1.06605000      -0.35190373       0.35414650       0.34752088
Cr       3.13609000      -1.49042000       3.25143000      -0.23083135       2.12528147      -0.61760541
Cr       4.41227000       0.19440000       1.13709000      -1.44141936      -3.38278114      -0.95520745
Cr       2.70562000       1.49838000       3.29049000       0.70827858      -2.58355505      -0.81319464
O        0.08309000       1.33427000       0.92079000       0.22271247       0.55012333      -0.70028100
O       -1.78270000       3.13607000       3.45415000      -1.68098238      -0.69926939       0.33438874
O       -1.47270000       0.22156000       3.03485000      -1.18557771       0.24417660       0.71644012
O        2.82703000       1.34228000       1.19408000       0.68241611       0.95180555       0.80751634
O        2.09031000       4.40765000       1.25909000       1.62681472      -0.30932720       0.56220689
O        1.50239000      -0.13772000       2.98832000       0.28155655      -0.22219685       1.43660644
O       -0.78167000       4.08718000       0.88154000       0.27415873       2.58720677      -0.35445609
O        1.28928000       2.70812000       3.53005000      -1.54685381       0.89963208      -0.55828070
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.06029093 magmom=20.0022103 free_energy=-109.06029466 stress="-0.03965433923151153 0.01489951432950032 0.0003155786905363387 0.01489951432950032 -0.04471803537753882 -0.0080542167152312 0.0003155786905363387 -0.0080542167152312 -0.06026639231683889" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48957000       2.98346000       0.01308000       1.35646906      -1.87425728      -0.68703722
Cr      -0.25725000       2.92488000       2.20824000      -0.73845278       0.29302149      -0.53848723
Cr       1.40919000      -0.00067000       1.08713000       0.62017414       0.35487003      -0.36605362
Cr       3.08596000      -1.46661000       3.17980000      -1.33001552      -1.96492064       1.20966864
Cr       4.40110000       0.01023000       1.14931000      -0.75241209       0.20276216      -1.03275785
Cr       2.73437000       1.39664000       3.25448000      -0.22500569       0.12915314       1.06241943
O        0.08132000       1.40358000       1.00626000      -1.32600650      -0.62158073      -1.18687690
O       -1.79323000       3.05906000       3.44828000      -1.39179160      -0.48143677       0.14402520
O       -1.56960000      -0.05865000       3.17890000       0.12370204       2.97286137      -1.53237490
O        2.86317000       1.46052000       1.36084000       0.69205123      -1.20967532      -1.04807737
O        2.04243000       4.34809000       1.14306000       0.69678269       2.03356925       2.23259714
O        1.36039000      -0.21850000       3.03928000       1.82482235      -0.04724820       0.29926524
O       -0.74932000       4.34020000       0.91352000      -0.33057244       0.53886616      -0.47013640
O        1.22540000       2.70426000       3.35421000       0.78025511      -0.32598466       1.91382584
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.5723505 magmom=19.9995145 free_energy=-109.5723505 stress="-0.07524352747689277 0.0001278718446769636 -0.008265410740663332 0.0001278718446769636 -0.05088168065346919 0.009167066601350323 -0.008265410740663332 0.009167066601350323 -0.039648832366734284" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00807000       0.02006000       4.35358000      -0.60129060      -0.06742731       0.80956123
Cr      -0.16621000       3.08381000       2.19445000      -1.48720960      -0.22003127      -0.71603616
Cr       1.40262000       0.09075000       1.08516000       0.43176069       0.40519378      -0.35686173
Cr       3.00909000      -1.51253000       3.19208000       1.35500998      -0.03454385       2.25898547
Cr       4.34801000      -0.10455000       1.11099000      -0.16875346       3.29172365      -0.19919140
Cr       2.75071000       1.32337000       3.26478000      -0.62398331       1.86329584       0.62807219
O       -0.11991000       1.41615000       0.95454000       0.63108605      -0.46751806      -0.50991271
O       -1.95378000       2.91892000       3.41967000       0.50590858       1.17422323       0.10866165
O       -1.60463000       0.10047000       3.12497000       0.74551986      -0.79027621      -0.32042531
O        2.94779000       1.40574000       1.31016000      -0.79477040      -0.72715358      -0.44810695
O        2.16537000       4.44990000       1.25947000      -1.13162226      -1.12280910      -0.43885283
O        1.47713000      -0.25473000       3.17313000       0.59738703       0.04729902      -1.54021363
O       -0.70443000       4.52993000       0.92019000       0.28215082      -2.25315642       0.04034165
O        1.19586000       2.67847000       3.44222000       0.25880661      -1.09881973       0.68397852
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.27885066 magmom=20.0013331 free_energy=-109.27885066 stress="-0.056365267298001016 0.003955990137239182 -0.020763773624027156 0.003955990137239182 -0.059228189625321996 0.024908277890157565 -0.020763773624027156 0.024908277890157565 -0.06434026675444046" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.55298000       2.82424000       0.00949000       0.03793621       1.02184008      -0.62732982
Cr      -0.17350000       3.16515000       2.16329000       0.33943317      -2.70982602       2.03029791
Cr       1.40982000       0.16231000       1.05712000      -1.02271994      -3.08110141       0.00761875
Cr       3.00741000      -1.56715000       3.30741000       1.22810641       1.45385165      -1.54377641
Cr       4.30184000      -0.04671000       1.07893000       0.53135939      -0.75104952       1.27124421
Cr       2.74971000       1.36083000       3.31026000       0.70600970      -0.12575185      -0.49833585
O       -0.17863000       1.38052000       0.87412000       1.02698084       0.43210647       0.86675046
O       -1.97819000       2.98964000       3.39108000       0.76298695       0.38320993       0.23579935
O       -1.48279000       0.16480000       3.05809000      -0.89179718      -0.61767842       0.20938284
O        2.87078000       1.28375000       1.15676000       0.86599747       1.21995147       1.40071152
O        2.14755000       4.35159000       1.27761000      -0.51181013      -0.24849429       0.15042970
O        1.59971000      -0.22100000       3.10496000      -1.19678035      -0.00186344      -0.18868909
O       -0.64449000       4.37419000       0.92979000      -1.38031912       2.48557498      -1.87843561
O        1.17432000       2.55017000       3.53997000      -0.49538344       0.53923037      -1.43566796
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.97230764 magmom=20.0018208 free_energy=-108.97231214 stress="-0.027324449340760223 0.040756839952760346 -0.01648568968433171 0.040756839952760346 -0.01715565970265842 0.017071856051889284 -0.01648568968433171 0.017071856051889284 -0.07567550398997809" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02123000      -0.09698000       4.34179000       0.16902586       0.88042942      -0.65629779
Cr      -0.20237000       3.11161000       2.20071000      -1.27104071       0.69816957      -2.23199421
Cr       1.37606000       0.06834000       1.02079000       1.53495343      -0.94026699       1.29056040
Cr       3.08448000      -1.53409000       3.35573000      -0.90479716       1.35598149      -2.44789762
Cr       4.28521000       0.00905000       1.10840000      -0.10142667      -1.01237039      -0.58630348
Cr       2.78502000       1.41453000       3.31908000      -0.59075110      -0.43049033      -2.75192232
O       -0.03300000       1.41165000       0.95773000      -0.70980305      -0.11585081      -0.17296889
O       -1.82342000       3.15134000       3.39333000      -0.82106198      -1.31721306       0.47920554
O       -1.46811000       0.06631000       3.08281000      -1.58717449       0.56432734      -0.22576365
O        2.86934000       1.37418000       1.21623000       0.46733180      -1.16774616       1.51877060
O        2.04168000       4.11256000       1.26672000      -0.08794297       2.33085200       1.09965933
O        1.48898000      -0.14363000       3.02907000       1.10215735      -0.73674692       0.09697852
O       -0.77159000       4.46921000       0.80278000       0.11499887      -0.38065459       1.80076734
O        1.05567000       2.57072000       3.38295000       2.68553082       0.27157942       2.78720624
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.88342785 magmom=19.9975881 free_energy=-107.88349697 stress="-0.03945187541086357 0.01943859057464534 0.019871968537465257 0.01943859057464534 -0.05142362667160946 0.008057909828664004 0.019871968537465257 0.008057909828664004 -0.09947783908519257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03179000      -0.08567000       4.27316000      -1.09157436       0.34014144       1.75419523
Cr      -0.29527000       3.01316000       2.17209000       1.19195838       0.49719597       0.19584574
Cr       1.39865000      -0.15849000       1.05713000       0.35776393       2.57572295       1.08316044
Cr       3.14439000      -1.40098000       3.26176000      -2.58806980      -3.37401872       1.68987326
Cr       4.26471000       0.03163000       1.13082000       1.14093502       0.43457075      -0.78654998
Cr       2.79716000       1.47019000       3.19827000      -2.21716628       0.82649961       4.43544166
O        0.07637000       1.46321000       1.09611000      -0.43745947      -1.77311322      -2.06324795
O       -1.70736000       3.10902000       3.46518000      -2.12987288      -0.31212799       0.56366233
O       -1.65595000       0.05968000       3.14565000       2.50707715       2.62983383      -0.62884786
O        2.97124000       1.43489000       1.45975000      -0.39664248      -0.25390311      -4.90162058
O        1.92697000       4.10783000       1.33494000       1.09695916       1.17044606      -0.74192410
O        1.43342000      -0.15268000       3.02273000       2.06119635      -0.23654799      -0.21748955
O       -0.89314000       4.51383000       0.93201000       0.92303151      -2.04324639      -0.37348437
O        1.23472000       2.80999000       3.49832000      -0.41813625      -0.48145319      -0.00901428
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.13258523 magmom=20.0046871 free_energy=-108.13258527 stress="-0.06124611699239695 0.03434899653729862 -0.008847542740276642 0.03434899653729862 -0.07183128701037653 0.01514612847607469 -0.008847542740276642 0.01514612847607469 -0.06632996365090887" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00431000      -0.05587000       4.27567000      -0.05867028       0.66491236      -0.25026269
Cr      -0.35291000       2.89581000       2.14286000       0.75725098      -2.41449890       2.73581446
Cr       1.43460000      -0.26652000       1.15791000      -1.47689845       3.64223303      -1.11797454
Cr       3.11599000      -1.36877000       3.23029000       2.13092206       0.21280863       2.08579864
Cr       4.31163000       0.07565000       1.11921000       1.36050000      -0.12863706       0.72998810
Cr       2.70326000       1.56597000       3.20767000      -0.01942527      -1.30088155       0.13551196
O        0.06402000       1.36603000       0.99714000       0.05704224      -0.52323780      -0.58340704
O       -1.85883000       2.96638000       3.54000000      -0.03162386       1.17906678      -0.54589929
O       -1.53122000       0.36132000       3.13231000      -0.78474266      -1.06510831      -1.06278018
O        2.96948000       1.45726000       1.11084000      -0.43469593      -1.44209354       2.19418750
O        2.06140000       4.24761000       1.25879000       1.93284313      -0.09813788       0.33985900
O        1.60916000      -0.16988000       3.09479000      -0.51860126       0.67375231       0.00255560
O       -0.83636000       4.24985000       1.07441000      -0.59943076       2.96030641      -2.61987451
O        1.34134000       2.94382000       3.61516000      -2.31446995      -2.36048450      -2.04351701
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.92569271 magmom=20.003401 free_energy=-108.92569511 stress="-0.06242740709826241 -0.0014943362915909553 -0.008917610283731335 -0.0014943362915909553 -0.04825748957152677 -0.006897595381514133 -0.008917610283731335 -0.006897595381514133 -0.03669635187950934" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03524000      -0.00894000       4.28482000       0.32780610      -0.11572693       0.18851553
Cr      -0.37897000       2.73421000       2.20848000      -1.49797580       0.36940370      -0.39465907
Cr       1.41482000      -0.18639000       1.18357000       1.84089176       1.43746992      -1.42825759
Cr       3.16093000      -1.36539000       3.30232000       0.06201342      -0.15902793      -0.88716337
Cr       4.40353000       0.09818000       1.11596000      -1.49683512      -1.56839880      -1.35025740
Cr       2.62615000       1.58027000       3.24295000       1.01259282      -1.72108220      -0.60744337
O        0.03453000       1.29983000       0.89679000       0.91264183       1.01560214       0.40507993
O       -1.95426000       3.01972000       3.47154000       0.59315550       0.73057504       0.07276293
O       -1.45756000       0.41561000       3.02874000      -1.11524240      -0.70144189       0.39879398
O        2.87411000       1.34088000       1.01534000      -0.00455260      -0.48217060       2.28948121
O        2.41137000       4.36292000       1.21820000      -1.99125731       0.66965911       1.56826094
O        1.64539000      -0.08787000       3.16920000      -0.61655157      -0.85037137      -0.94682109
O       -0.77522000       4.30027000       0.95346000       0.45309725       0.63589159      -0.31775548
O        1.09603000       2.75260000       3.40563000       1.52021611       0.73961821       1.00946285
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.56778349 magmom=20.0028819 free_energy=-109.56778349 stress="-0.06533517778940742 -0.0010609457271641147 0.006814813253577593 -0.0010609457271641147 -0.04903865975198732 -0.017345770378376504 0.006814813253577593 -0.017345770378376504 -0.05465252384988491" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03217000       0.02330000       4.30931000       0.16760166      -0.36143804       1.28839735
Cr      -0.46260000       2.64339000       2.24042000      -0.56736374       1.43448417      -0.74874275
Cr       1.47668000      -0.05949000       1.13119000       0.13564707      -0.04986194      -0.78251406
Cr       3.19889000      -1.36471000       3.31999000      -1.44365412       0.25292594      -0.94870253
Cr       4.40602000       0.05245000       1.05959000      -0.21149081      -0.31929044      -0.23855841
Cr       2.62216000       1.50435000       3.23969000       1.23612092      -0.23976742      -0.11705122
O        0.07950000       1.40285000       0.92697000       0.16483492      -0.99292075      -0.78856285
O       -1.90477000       3.12379000       3.38985000      -0.47672307      -0.57934551       1.23269444
O       -1.50960000       0.28534000       3.05516000      -0.23838276       0.20157019       0.06601759
O        2.81937000       1.28430000       1.24259000       1.26838437       1.76144214      -0.19105359
O        2.35975000       4.47106000       1.34530000      -1.23712634      -1.02566356      -0.54543636
O        1.52736000      -0.12690000       3.11843000       0.50106307      -0.49441570      -0.17604535
O       -0.65319000       4.42213000       0.85693000      -0.72795967      -0.56032204       0.46689142
O        1.09826000       2.71246000       3.34689000       1.42904852       0.97260295       1.48266631
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.51386712 magmom=20.0019602 free_energy=-109.51386712 stress="-0.03153169107833732 0.024006203143068606 0.018725476492735003 0.024006203143068606 -0.03313171167951173 -0.011314457035921816 0.018725476492735003 -0.011314457035921816 -0.08411522669873177" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53246000       2.92155000       0.03400000      -0.01971015       0.10261165      -0.14887813
Cr      -0.55648000       2.64745000       2.21912000       1.34767523       0.81477429      -0.66302613
Cr       1.54258000       0.05580000       1.04586000      -1.49435999      -0.72498492       0.99739036
Cr       3.15563000      -1.35924000       3.27994000      -1.23381745      -1.24763028       0.19123367
Cr       4.38509000      -0.01759000       1.00476000       0.63710965       0.31696721       1.93256949
Cr       2.68373000       1.42002000       3.25078000       0.32931772       0.97683940       1.65747314
O        0.09297000       1.39488000       0.91070000      -0.39164585      -0.39827018      -0.34031555
O       -1.88684000       3.08557000       3.46607000      -0.60532080       0.16970651       0.29997053
O       -1.53884000       0.17549000       3.14295000       0.24128793       1.12047684      -1.24709382
O        2.95205000       1.52239000       1.35594000       0.61883467      -1.26156548      -1.04639328
O        2.11805000       4.38609000       1.32083000       1.42239827       0.57573554      -0.72159174
O        1.46260000      -0.20805000       3.07120000       1.07599445       0.82471364      -0.01303059
O       -0.63686000       4.43410000       0.88203000      -0.50358352      -0.45902822       0.44864027
O        1.28720000       2.83285000       3.48177000      -1.42418015      -0.81034600      -1.34694823
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.22282871 magmom=20.0039089 free_energy=-109.22283053 stress="-0.03352767627652553 0.02757382732743968 0.013875605598900526 0.02757382732743968 -0.05724784358306373 -0.013411564137835659 0.013875605598900526 -0.013411564137835659 -0.054034549303791715" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.55730000       2.93889000       0.10263000       0.01856883      -1.05505391      -3.03641495
Cr      -0.57905000       2.71832000       2.15722000       0.69772907      -0.66339124       0.27312358
Cr       1.52057000       0.12793000       1.01847000      -0.22114596      -0.82111036       2.14430061
Cr       3.03134000      -1.42167000       3.23615000       0.83505609       0.11390092      -0.31719322
Cr       4.40328000      -0.08165000       1.04350000      -0.16411386       1.31997687       0.46424713
Cr       2.77681000       1.39227000       3.35925000      -0.37597418       1.15068930      -0.84841651
O       -0.01446000       1.34301000       0.87429000       0.55031441       0.31414418      -0.22930588
O       -1.92400000       3.02455000       3.50942000      -0.22659050       0.86479715      -0.85863062
O       -1.48566000       0.19531000       3.08330000      -0.17799994      -0.60423000       0.02973815
O        3.19963000       1.61084000       1.26459000      -0.92203069      -2.12216236       1.37909000
O        2.13018000       4.39661000       1.13115000       0.10973328       2.19462831       2.31518286
O        1.56686000      -0.10429000       3.07904000      -0.07129028      -0.10319081      -0.33689259
O       -0.71945000       4.33833000       1.01064000       0.45879341       0.72529898      -0.89400610
O        1.20370000       2.79913000       3.41004000      -0.51104969      -1.31429703      -0.08482246
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.91620023 magmom=19.999997 free_energy=-107.91744127 stress="-0.059799037344684745 0.016040147413440526 0.012380430729350961 0.016040147413440526 -0.07608941440496646 0.0020663965302070647 0.012380430729350961 0.0020663965302070647 -0.03655055465155868" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59632000       2.91639000       0.03530000       0.39224869      -0.18914607      -0.10881798
Cr      -0.55634000       2.77860000       2.08568000      -0.18892300      -1.66611990       0.76981913
Cr       1.46593000       0.17684000       1.10766000       1.17422044       0.17541924      -0.33212910
Cr       2.90166000      -1.51244000       3.16712000       1.27070561       0.29862922       0.40960241
Cr       4.43709000      -0.07977000       1.13460000       0.26827510       1.82499986      -0.83875943
Cr       2.87753000       1.42542000       3.45663000      -0.57475255      -0.25377642      -2.45546660
O       -0.07478000       1.37351000       0.83555000       1.01480810      -0.29975897      -0.76642313
O       -1.96487000       3.08774000       3.36725000      -0.26466305       0.65438797       1.68683403
O       -1.39993000       0.11676000       3.08319000      -0.79656719       0.06077151       0.71134764
O        3.25694000       1.44861000       1.27857000      -2.32690194       0.72055081       0.32475744
O        2.23076000       4.63134000       1.20238000      -2.09431974      -2.84823212       0.24951904
O        1.66678000       0.01807000       3.09195000      -1.37574897      -1.67020736       0.08283282
O       -0.75494000       4.29286000       1.04062000       0.86862613       1.99544680      -1.48229782
O        0.95799000       2.53399000       3.23628000       2.63299237       1.19703543       1.74918153
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.72304466 magmom=20.0001771 free_energy=-107.72304641 stress="-0.06160539305630093 0.01355223316712624 0.021204732879597392 0.01355223316712624 -0.042391392751747234 0.0009896846324022955 0.021204732879597392 0.0009896846324022955 -0.07391469389989491" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12737000      -0.00793000       4.29035000      -1.09971061       1.01427201       2.79653877
Cr      -0.52103000       2.77271000       2.04643000      -0.43775052       0.96020632       0.45374514
Cr       1.47087000       0.23757000       1.20435000      -0.90861195      -2.68742930      -1.86085356
Cr       2.81692000      -1.60814000       3.11509000       1.75135756       0.48413794       2.10890863
Cr       4.45211000       0.02573000       1.20908000      -1.97116325      -1.04353448      -0.97896553
Cr       2.96049000       1.44615000       3.41305000      -1.78513109      -0.48716247      -1.56289077
O       -0.01896000       1.40228000       0.75550000      -1.01428700       0.15218029       0.86213227
O       -1.98381000       3.20244000       3.40568000       0.93283390      -1.31629493       0.05094723
O       -1.40573000       0.03128000       3.24252000      -1.79086525       1.25279444      -2.10049738
O        2.88022000       1.40699000       1.31722000       2.70667491       0.98748615       0.77030484
O        2.09689000       4.46071000       1.30475000       0.77764793       0.15734030      -2.00851566
O        1.54269000      -0.12891000       3.14986000       1.74820056      -0.12905772      -1.16016417
O       -0.61677000       4.49396000       0.91793000      -0.31239128      -0.14234074       1.18708990
O        1.00448000       2.48924000       3.25971000       1.40319608       0.79740219       1.44222031
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.55645117 magmom=19.9984955 free_energy=-107.55645117 stress="-0.0726509694367399 0.002039751459092069 0.02630561410199302 0.002039751459092069 -0.0854398459900433 -0.010191062057719424 0.02630561410199302 -0.010191062057719424 -0.07149053772411657" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14037000       0.00222000       4.30111000      -1.24332483       0.40398084      -0.18188206
Cr      -0.49394000       2.82145000       2.04511000       0.35255118       1.92852871       1.30714356
Cr       1.45157000       0.16818000       1.19712000       0.63257519      -0.66041865      -1.78086488
Cr       2.84980000      -1.66776000       3.14848000       4.30571142       2.74685992      -0.21241754
Cr       4.36722000       0.09048000       1.22891000      -0.65528975      -2.21210544      -1.97592634
Cr       2.95128000       1.45574000       3.29201000      -3.00751512       0.51778589       2.59315652
O       -0.12638000       1.44503000       0.86568000       1.14445780      -1.22755203      -1.11262394
O       -1.83178000       3.06912000       3.43917000      -0.54688448       0.83893169       0.83153500
O       -1.58340000       0.13394000       3.15507000       1.61594077      -1.10392328      -0.43418512
O        2.82731000       1.56267000       1.39808000       1.33987079      -1.41093293      -0.79235979
O        2.09849000       4.22395000       1.14461000       0.19353086       2.50489713       1.77858049
O        1.58492000      -0.31475000       3.10428000      -0.25165010       1.66213819      -0.35719732
O       -0.53918000       4.61057000       0.97422000      -2.06443002      -1.92589016       0.04038344
O        1.20037000       2.61379000       3.48515000      -1.81554372      -2.06229988       0.29665797
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.05665178 magmom=20.0087642 free_energy=-109.05665187 stress="-0.022441513284625753 0.021972925608177745 0.006263516612163013 0.021972925608177745 -0.03165632304924968 0.004843448574430727 0.006263516612163013 0.004843448574430727 -0.09043807696909818" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07016000       0.04203000       4.32684000       0.06667875      -0.16667201      -1.09249986
Cr      -0.44198000       2.94927000       2.10511000       1.71029921      -2.22702980       1.40131333
Cr       1.43267000       0.02840000       1.09513000       0.28124520       0.16501783       1.02820911
Cr       3.07344000      -1.59924000       3.19505000       0.07066629       1.72131458       1.20379988
Cr       4.25998000       0.03715000       1.14179000       1.88960289      -0.36118081      -0.39699383
Cr       2.80063000       1.47829000       3.29660000      -0.54522430      -2.08962861       0.63381920
O       -0.10156000       1.37982000       0.91356000       1.01471469      -0.24637144      -0.67771211
O       -1.75462000       2.99615000       3.51982000      -1.69343501       0.62470627      -0.01555046
O       -1.53023000       0.11031000       3.04863000      -0.34101508      -0.02350188       1.24652841
O        3.02662000       1.55549000       1.31511000      -1.32116676      -1.02942898       0.29029503
O        2.20600000       4.34084000       1.20760000      -1.11078246       0.66275171       0.95014200
O        1.60730000      -0.22898000       3.04140000       0.00877012       0.33949248       0.44922178
O       -0.75482000       4.40476000       1.05548000       0.05513101       1.84026252      -2.14106189
O        1.16375000       2.57275000       3.63443000      -0.08548456       0.79026814      -2.87951057
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.65975636 magmom=19.9998338 free_energy=-109.65975636 stress="-0.053205582077109285 0.018882937721868425 -0.009018824505618452 0.018882937721868425 -0.0450866716329506 0.008144797802307317 -0.009018824505618452 0.008144797802307317 -0.056617926957831695" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02848000       0.05758000       4.30868000       0.59314073       0.01113967       1.24531825
Cr      -0.34747000       2.96643000       2.19351000      -0.32574114      -0.82530512      -0.76998066
Cr       1.43423000      -0.04944000       1.07570000      -0.12999939       1.28170546       1.23904548
Cr       3.22607000      -1.47564000       3.27895000      -2.34968623       0.14234669       0.44920506
Cr       4.27652000      -0.00981000       1.05063000       1.41541359       1.16511555       0.26389048
Cr       2.66654000       1.41724000       3.32891000       1.04014176       0.19832093      -1.56257139
O        0.02321000       1.33365000       0.89768000      -0.50122149       0.21380694       0.23430367
O       -1.88215000       3.00877000       3.49578000       0.11353870      -0.57672031      -0.55058758
O       -1.47929000       0.08179000       3.13661000      -1.10138846       1.18459629      -1.15393265
O        2.96295000       1.41715000       1.22986000      -0.90322377      -0.41819829       0.76739369
O        2.16538000       4.45477000       1.33495000      -0.14963888      -1.47878171      -0.83948937
O        1.55105000      -0.09679000       3.09397000       0.05728766      -1.46620666      -0.45916131
O       -0.87170000       4.35760000       0.91941000       0.78308005       0.27244707      -0.09343980
O        1.10223000       2.67017000       3.38122000       1.45829688       0.29573349       1.23000612
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.83133268 magmom=20.0040953 free_energy=-109.83133268 stress="-0.05301236440311438 0.0015532937365902676 0.0011372351252324554 0.0015532937365902676 -0.04554400279138064 -0.0029653297260246727 0.0011372351252324554 -0.0029653297260246727 -0.03811245719558062" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02133000       0.05754000       4.34320000      -0.26669184      -0.43712271       0.59506098
Cr      -0.30393000       2.92558000       2.21824000      -0.67803222       0.26794287      -0.84588719
Cr       1.43050000      -0.04686000       1.12049000      -0.44679676      -0.79603730      -0.97282345
Cr       3.21744000      -1.39087000       3.34824000      -1.34958218      -1.08032217      -1.60069707
Cr       4.34983000       0.01270000       1.01082000      -0.96109557      -0.11708375       0.90061120
Cr       2.62928000       1.38250000       3.27277000       1.18084444       1.17641689      -0.94748407
O        0.00977000       1.35971000       0.94652000      -0.07291290      -0.00886983      -0.01705024
O       -1.93769000       2.95021000       3.36579000       0.14320635       0.56763653       1.09945996
O       -1.53819000       0.20915000       3.10834000      -0.07207457      -0.07187962      -0.66054328
O        2.77657000       1.30582000       1.23561000       1.13672247       0.41942417       0.10426977
O        2.14209000       4.32339000       1.26429000       0.33147336       1.30702640       0.69284152
O        1.48239000      -0.19607000       3.11289000       0.83252249      -0.54940246      -0.53902230
O       -0.78858000       4.35953000       0.86283000      -0.04184053       0.03442588       0.53462249
O        1.23004000       2.80414000       3.34179000       0.26425748      -0.71215492       1.65664167
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.43362363 magmom=20.0038615 free_energy=-109.43362363 stress="-0.05141484595429194 0.0011375144639733843 0.007029680550685015 0.0011375144639733843 -0.057245518876816205 -0.009690378799965073 0.007029680550685015 -0.009690378799965073 -0.05555006181251101" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54040000       2.90774000       0.05238000      -0.07967359      -0.55216049      -1.15468110
Cr      -0.31169000       2.89123000       2.19545000       0.27655189       0.60755066       1.18249590
Cr       1.40254000      -0.07755000       1.11188000       0.68198011       0.10619138      -0.79541800
Cr       3.12844000      -1.36739000       3.32967000       0.92150376      -0.86814112      -0.75961852
Cr       4.37518000       0.03476000       1.03890000      -0.74871447      -0.74059070       1.86616668
Cr       2.67433000       1.42680000       3.16098000       0.56297746       0.34191721       1.67448643
O       -0.05118000       1.41530000       1.01675000       1.07427425      -0.96751373      -1.49351595
O       -1.90072000       2.98244000       3.38175000      -0.54209390       0.78031994       1.01384622
O       -1.56951000       0.28228000       3.01960000       0.41577412      -0.98147511       0.62395435
O        2.76933000       1.31633000       1.21678000       0.76039773       0.23542049      -0.08363248
O        2.22932000       4.36367000       1.22837000      -0.36523650       1.11231689       1.17267670
O        1.47758000      -0.35840000       3.10246000       0.06632280       1.55075495      -0.10839346
O       -0.65478000       4.33765000       0.94663000      -1.35382995       0.19977886      -1.19467411
O        1.33511000       2.80444000       3.54104000      -1.67023373      -0.82436924      -1.94369264
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.59442386 magmom=20.0016178 free_energy=-108.59442443 stress="-0.04267858400396402 0.016269357505032445 -0.016514821503754152 0.016269357505032445 -0.04025869469858638 0.019351625243737923 -0.016514821503754152 0.019351625243737923 -0.08507922867576023" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48025000       2.82110000       0.08787000      -0.20607055       1.88478795      -1.88333696
Cr      -0.32617000       2.86828000       2.22021000      -0.72815393      -0.14023854      -0.59426214
Cr       1.39710000      -0.13200000       1.03790000       0.88425816       2.19878389       1.96252674
Cr       3.02007000      -1.40787000       3.23685000       0.12954200      -0.29413028       2.11811897
Cr       4.37732000       0.02675000       1.19618000       2.24826549       0.62421979      -2.88048586
Cr       2.80659000       1.54809000       3.08728000      -1.65788667      -1.26937496       2.59349975
O        0.02379000       1.38973000       0.90090000      -0.18433630      -0.39145794       0.20473401
O       -1.85507000       3.18561000       3.54533000      -0.31932796      -0.96908640      -2.08537349
O       -1.51165000       0.13104000       3.09500000      -0.62268970       1.25739223       0.60900567
O        2.97999000       1.45287000       1.16461000       0.32494509      -2.09658845       2.03222602
O        2.30727000       4.56510000       1.32732000      -1.96334161      -2.91188487      -0.92813396
O        1.47079000      -0.21231000       3.11339000       0.51865191       0.69389101      -0.81565231
O       -0.68551000       4.29752000       0.92243000      -0.67321973       0.77295206      -1.01721841
O        1.08121000       2.63059000       3.45909000       2.24936380       0.64073452       0.68435196
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.59445073 magmom=20.0043178 free_energy=-107.5944547 stress="-0.04959469856096405 0.053281402425766816 -0.009981478297951207 0.053281402425766816 -0.023097302612942985 0.0033801770539479345 -0.009981478297951207 0.0033801770539479345 -0.07212903848409472" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.42748000       2.77356000       0.04476000       2.29866889      -0.33493887       0.91595634
Cr      -0.38805000       2.84167000       2.21140000      -0.12885936      -0.11332968      -3.01245743
Cr       1.44883000      -0.08367000       1.03361000       0.60149410       1.29373120       0.67132954
Cr       2.88358000      -1.47570000       3.21983000       0.60792541       1.38798702       1.04057818
Cr       4.47994000       0.01337000       1.28277000      -0.64811186      -1.76415743      -1.65991131
Cr       2.89578000       1.63897000       3.14743000      -2.61710327      -2.80854401       1.92788064
O        0.05821000       1.31383000       0.82514000      -0.39051748       0.44639815       0.93397668
O       -1.79641000       3.24619000       3.40178000      -1.11447904      -0.33784118       0.87203997
O       -1.54191000       0.10582000       3.30194000      -2.09040090       1.21233997      -2.70480619
O        3.23472000       1.43366000       1.31118000      -1.42686523       0.59050783      -1.15377004
O        2.14035000       4.35527000       1.27783000       0.45877794       0.38033687       0.08625402
O        1.50752000       0.13446000       3.02891000       0.42683230      -2.28930548      -0.36118134
O       -0.81210000       4.34547000       0.80606000       1.60806759       0.44716720       0.75562552
O        1.04513000       2.55795000       3.33628000       2.41457091       1.88964842       1.68848541
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.98709141 magmom=20.000926 free_energy=-107.98709141 stress="-0.05614718511813152 0.02244117781599326 0.010531904860510621 0.02244117781599326 -0.08849557415786254 -0.0015473433564160521 0.010531904860510621 -0.0015473433564160521 -0.050676160727809824" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.46682000       2.73756000       0.00617000      -0.41573050       0.13182787      -1.22865151
Cr      -0.44269000       2.81229000       2.06903000       0.53841732       0.12777673       0.66096508
Cr       1.53236000       0.03150000       1.07104000       1.03977426       0.41903302      -1.64319736
Cr       2.79466000      -1.45012000       3.26183000       4.07431568       3.58974457      -0.72381484
Cr       4.53766000      -0.06689000       1.26712000      -3.05288984       0.47475012      -1.02931403
Cr       2.83777000       1.58107000       3.28934000      -1.32806897      -0.26892235      -1.42574422
O        0.00773000       1.34063000       0.94460000       1.04453566      -0.33013075      -1.02215799
O       -1.84176000       3.18007000       3.31856000      -0.75445196       0.77609322       1.97933683
O       -1.70419000       0.21755000       3.19765000       2.15590533      -1.63104782      -0.11681622
O        3.19831000       1.49165000       1.28669000      -0.77766365      -1.28061306       0.11253073
O        2.04433000       4.17632000       1.20780000       0.78372824       2.36244670       1.38782744
O        1.57067000       0.07578000       2.95327000      -1.09243002      -1.02944613       1.64714172
O       -0.63652000       4.43507000       0.88727000       0.53052979      -0.38891914       0.41233019
O        1.26513000       2.77957000       3.41302000      -2.74597134      -2.95259299       0.98956419
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.95174209 magmom=19.9978314 free_energy=-108.95174209 stress="-0.03796549927786838 0.011192847584460272 -0.0004673618440556888 0.011192847584460272 -0.052369167619051055 0.00016433101480942545 -0.0004673618440556888 0.00016433101480942545 -0.05957650133000867" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06120000      -0.14629000       4.30163000      -0.59104130       0.87489045       0.79727309
Cr      -0.45548000       2.80008000       1.99233000      -0.65889625       0.35743658       3.10847690
Cr       1.63185000       0.13392000       1.04338000      -2.23277747      -1.86675502       0.24890250
Cr       2.89968000      -1.33146000       3.27366000       1.86933921      -3.09053306       0.87644188
Cr       4.45147000      -0.11570000       1.19650000       0.08328126       0.65929288      -1.24116562
Cr       2.72748000       1.50424000       3.34763000       0.19544349       0.51425142      -0.33131236
O        0.07181000       1.36844000       0.93903000      -0.20817423      -0.70027641      -0.93393305
O       -1.94685000       3.16691000       3.47808000       0.44504908      -0.40620221      -1.33259784
O       -1.54696000       0.12436000       3.11003000      -0.95957547       1.03138077      -0.00974462
O        2.99273000       1.41189000       1.23523000       1.44870728      -0.09267599       1.51291797
O        2.15650000       4.33893000       1.29087000       0.91052025       0.61071120       0.00670700
O        1.45719000      -0.12327000       3.12205000       0.93484879       1.29639181      -0.77237254
O       -0.43637000       4.43221000       1.01918000      -1.70011053       0.67688380      -1.49096436
O        1.11795000       2.70775000       3.55910000       0.46338590       0.13520379      -0.43862895
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.45531641 magmom=20.0028682 free_energy=-109.45531641 stress="-0.048536873975336445 -0.009208583079082214 -0.0010196696910882799 -0.009208583079082214 -0.05039498030478314 -0.0010499024378224158 -0.0010196696910882799 -0.0010499024378224158 -0.07528241800193919" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07177000      -0.10645000       4.29868000       0.19873475       0.04853298       1.75564586
Cr      -0.47865000       2.81242000       2.07279000       0.24087412      -0.26914184       0.94769736
Cr       1.59628000       0.11602000       1.02220000      -1.30087664      -1.48188546       1.09881563
Cr       3.06867000      -1.37999000       3.31321000      -0.47447146      -0.81310908      -0.64171290
Cr       4.40257000      -0.09843000       1.09610000       1.70535019       2.61624292       0.90512216
Cr       2.65576000       1.47913000       3.36358000       1.03979741      -0.18413401      -1.19461258
O        0.05370000       1.37184000       0.86982000       0.21997701       0.00390117       0.35387952
O       -1.92300000       3.07145000       3.39718000      -0.08897229       0.44101644       0.38617193
O       -1.49934000       0.16193000       3.09044000      -1.06559637       0.60062742      -0.20740071
O        2.99492000       1.39490000       1.34383000       0.07340549       0.56845824      -0.43700089
O        2.32102000       4.49382000       1.33726000      -2.26227267      -2.04781964      -0.37655839
O        1.49732000      -0.09659000       3.18767000       1.20838757      -0.26781213      -1.24678822
O       -0.56731000       4.44002000       0.95015000      -0.31686899       0.10533236      -0.09890930
O        1.05677000       2.66164000       3.54006000       0.82253190       0.67979063      -1.24434947
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.63647351 magmom=20.0001605 free_energy=-109.63647352 stress="-0.04879789736974298 0.021604290201611212 0.008350810719806505 0.021604290201611212 -0.0416253047723913 -0.0009327245577043936 0.008350810719806505 -0.0009327245577043936 -0.0458368598109555" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.47908000       2.82687000       0.02034000       0.38612072       0.51068798      -0.60935356
Cr      -0.47240000       2.81734000       2.19578000       1.02244395       0.00387753      -1.33905366
Cr       1.48406000       0.00692000       1.06256000       0.73756537      -0.26800332       0.86934601
Cr       3.19902000      -1.47387000       3.30805000      -1.77574791       2.03119222      -2.02695262
Cr       4.41230000       0.03589000       1.04745000      -1.79053776      -0.02124198       0.72958012
Cr       2.65060000       1.45606000       3.30889000       1.32259081       0.10845506      -1.17561760
O        0.02158000       1.41472000       0.90915000       0.75959494      -0.67116181      -0.27071237
O       -1.89272000       3.02803000       3.36629000      -0.75828233       0.45392280       2.43048893
O       -1.55145000       0.25490000       3.11257000       0.37692784      -0.67078403      -0.41592724
O        3.00270000       1.50339000       1.31413000      -0.38127651      -1.54528709      -0.16077921
O        2.19412000       4.35683000       1.26822000       0.44985882       1.02501865      -0.05640742
O        1.65741000      -0.11563000       3.08830000      -1.54322670      -1.13043691       0.00526198
O       -0.77085000       4.41057000       0.89906000       0.72022685       0.16698737       0.48352363
O        1.15811000       2.76650000       3.32080000       0.47374193       0.00677353       1.53660301
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.29419987 magmom=20.0020218 free_energy=-109.29419987 stress="-0.04437846587381685 0.026315931478857343 0.0010493040768255356 0.026315931478857343 -0.053742482696449545 -0.003262782643395317 0.0010493040768255356 -0.003262782643395317 -0.045125121114237644" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.51369000       2.90636000       0.07028000       0.82684635      -0.82082295      -2.15903626
Cr      -0.41269000       2.82798000       2.26353000      -0.00548301       0.21735518      -0.33694212
Cr       1.40174000      -0.12438000       1.15694000      -0.27966365       0.92507815      -0.61514090
Cr       3.22916000      -1.45148000       3.19204000      -0.95362719       0.83413180       0.70472499
Cr       4.34567000       0.17040000       1.04284000       0.80353980      -2.20339708      -0.46592881
Cr       2.70957000       1.42334000       3.19400000      -0.28967495       0.25311741       1.59896523
O        0.06628000       1.39595000       0.96615000      -0.38172054       0.09264933      -0.55564767
O       -1.88929000       3.02884000       3.61729000       0.34367948      -0.45370875      -2.05807369
O       -1.50372000       0.20789000       3.12133000      -0.42141664       0.29796331      -1.20495999
O        2.88602000       1.40255000       1.18740000      -0.09450191      -0.49440015       1.43851837
O        2.13332000       4.34658000       1.15636000       0.72731289       1.90474840       1.73906348
O        1.55830000      -0.26434000       3.04555000       0.30123114       0.67576255       1.30647592
O       -0.83316000       4.37767000       0.95551000      -0.00096729       0.15446860      -0.57685053
O        1.28911000       2.85447000       3.30511000      -0.57555449      -1.38294581       1.18483199
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.65917483 magmom=20.004816 free_energy=-108.65917487 stress="-0.0633726060047624 0.002897256987611138 0.0073531565290956965 0.002897256987611138 -0.0436372937679556 -0.016007992731284275 0.0073531565290956965 -0.016007992731284275 -0.05943270454318191" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.58836000       2.97030000       0.02264000      -0.91935219       0.01694990       1.12047018
Cr      -0.32959000       2.85253000       2.30537000       0.52740842       0.07446899      -0.93500214
Cr       1.29859000      -0.20788000       1.22408000       1.02855492       2.91035293      -1.38444603
Cr       3.18710000      -1.38070000       3.11100000      -0.07140310      -2.20875626       3.40242037
Cr       4.31668000       0.19315000       1.01346000       0.74459737      -1.53731429      -0.04675594
Cr       2.76121000       1.40462000       3.16384000      -0.79197178       0.41257635       2.27741789
O        0.01545000       1.40876000       0.97761000       0.17518435      -0.23902819      -1.10520307
O       -1.80837000       2.92508000       3.51710000      -1.70362701       0.51801711       0.21545528
O       -1.47227000       0.16160000       2.99522000      -0.28868428       0.66622246       0.41453258
O        2.70631000       1.26666000       1.23393000       0.44353826       1.44907985      -0.01151147
O        2.24484000       4.55111000       1.22443000      -0.78807879      -1.77841674      -0.39661298
O        1.45988000      -0.27361000       3.21982000       2.05223877      -0.08583864      -1.80703568
O       -0.82715000       4.32800000       0.97643000      -0.47137595      -0.52334347      -0.58263494
O        1.27372000       2.72268000       3.46767000       0.06297102       0.32502999      -1.16109405
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.36263325 magmom=19.9966844 free_energy=-108.3626355 stress="-0.062263448414438385 -0.010312104667805175 -0.013568176222135521 -0.010312104667805175 -0.04607376912861266 -0.00959147246969989 -0.013568176222135521 -0.00959147246969989 -0.06337702773948754" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.64457000       3.03656000       0.00212000      -0.20035387      -0.58933247       0.35589284
Cr      -0.20025000       2.88694000       2.29351000      -2.04374771       0.08855609      -1.95433440
Cr       1.22628000      -0.13356000       1.22021000       2.63555633       1.55521040      -1.12014342
Cr       3.13060000      -1.41708000       3.21199000       1.41541304      -1.25101056       0.07460637
Cr       4.32407000       0.10926000       0.97484000      -1.88929682      -0.83150332       1.49765446
Cr       2.77749000       1.40227000       3.26782000      -1.03361247      -1.05681436      -0.59736574
O       -0.09629000       1.42389000       0.85923000       0.71390288      -0.72209005      -0.15893563
O       -1.92772000       2.88192000       3.23665000       0.14868269       2.06097210       1.98034372
O       -1.49166000       0.18975000       2.95490000       0.15715475      -0.37705916       0.78352788
O        2.56957000       1.41024000       1.29550000       1.27238900      -0.66805126      -0.65406383
O        2.25865000       4.45743000       1.24431000      -1.86691154       0.11587319       0.28250377
O        1.63810000      -0.20521000       3.20579000      -1.25103604      -0.62212573      -0.96830725
O       -0.79759000       4.16128000       0.95441000      -0.03543142       1.89708497      -0.64856319
O        1.17811000       2.60076000       3.43870000       1.97729118       0.40029015       1.12718441
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.07469348 magmom=20.0027961 free_energy=-108.07471544 stress="-0.049157571130125435 0.03381466565337114 -0.0060033528108763175 0.03381466565337114 -0.045070990590252914 -0.0085630352745689 -0.0060033528108763175 -0.0085630352745689 -0.08560540423534309" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.68366000       3.07416000       0.00830000       0.38711468      -0.82330724      -1.41439106
Cr      -0.14197000       2.92810000       2.16220000      -0.79948274       0.07784028      -0.03254019
Cr       1.29076000       0.07081000       1.14603000       1.74010906      -1.06741152      -1.16550165
Cr       3.12783000      -1.52931000       3.34750000      -1.37205376       2.27565058      -4.01409457
Cr       4.22956000      -0.04538000       1.02283000      -0.65682006       0.05445163       1.66923136
Cr       2.76404000       1.36377000       3.36660000       1.19408157       0.48495794      -3.11324979
O       -0.15260000       1.33962000       0.81097000      -0.05423645      -0.11519454       2.74870220
O       -2.01954000       3.09576000       3.17137000       2.53786054      -2.09033545       1.79707280
O       -1.49752000       0.14829000       3.11107000      -0.36658915      -0.41676638      -0.81960557
O        2.65569000       1.54247000       1.22551000       0.96594383      -2.40287736       0.52466218
O        1.96720000       4.26205000       1.25407000       0.35130042       2.16405403       0.89017205
O        1.65741000      -0.18776000       3.02444000      -1.77842391      -0.27641969       1.47432425
O       -0.70196000       4.21809000       0.88137000      -1.10063589       1.88093766       0.65598825
O        1.25632000       2.57380000       3.44104000      -1.04816814       0.25442005       0.79922975
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.83790176 magmom=20.0024778 free_energy=-108.83790176 stress="-0.03864903618995562 0.020851219313959925 0.004027560336498951 0.020851219313959925 -0.04199003060998854 -0.01045213831770825 0.004027560336498951 -0.01045213831770825 -0.03100131187484121" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15333000       0.17244000       4.33735000      -1.89859813       0.19878107       1.36097063
Cr      -0.15498000       2.96945000       2.04071000       0.08648442       1.00330795       1.22331557
Cr       1.41424000       0.19017000       1.04504000      -1.61082917      -2.41521613       0.53664851
Cr       3.09056000      -1.54175000       3.30892000      -1.19525502       0.05721682       0.65690801
Cr       4.13177000      -0.15936000       1.13537000       2.91884891       1.56142142      -0.32598923
Cr       2.79454000       1.35344000       3.31902000      -0.45651632       1.22982585      -0.40430665
O       -0.18260000       1.27857000       1.07621000       0.10675896       0.07555122      -1.83570688
O       -1.79525000       3.04465000       3.37924000      -1.19007631      -0.29504790       0.43587920
O       -1.55278000       0.03763000       3.17840000      -0.59283872       0.02990642      -0.56651446
O        2.87613000       1.38071000       1.18344000       0.31325274       0.24691896       1.14278121
O        1.87434000       4.31817000       1.31891000       1.52046206      -0.17435809      -0.01739928
O        1.41948000      -0.17757000       3.08863000       2.89498910      -0.35673504      -1.40062467
O       -0.72272000       4.47151000       0.91791000      -0.59543970      -0.84537112      -0.24523356
O        1.18356000       2.61991000       3.50916000      -0.30124281      -0.31620142      -0.56072840
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.25909279 magmom=20.009561 free_energy=-109.25909279 stress="-0.04273181610015914 0.012045880360158606 -0.003895127796137668 0.012045880360158606 -0.05733891793036455 -0.001734189504408477 -0.003895127796137668 -0.001734189504408477 -0.053373036811198496" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08726000       0.14586000       4.35058000       0.27859425      -0.89772642      -0.57429226
Cr      -0.17428000       3.02610000       2.02097000      -0.33343592      -0.26878451       1.22452422
Cr       1.43061000       0.15689000       1.01920000      -0.51139498      -1.73284766       2.28432848
Cr       3.00460000      -1.53950000       3.30544000      -0.26979830      -0.21636935       0.88029686
Cr       4.21241000      -0.15721000       1.18515000       2.23990309       1.64688041      -1.22112420
Cr       2.79629000       1.40378000       3.26685000      -0.94661382       0.13866301       0.63981568
O       -0.14420000       1.32799000       1.03211000       0.18177625      -0.40154523      -1.38648318
O       -1.78083000       2.92956000       3.51439000      -1.10259676       0.80879326      -1.68943177
O       -1.62970000      -0.01321000       3.16736000       0.77021554       0.52314269       0.16291882
O        2.98758000       1.32403000       1.28601000      -1.20351101       1.02826192      -0.20539487
O        2.06782000       4.30323000       1.31284000      -0.66622016       0.23491006       0.43234470
O        1.54742000      -0.16544000       3.07375000      -0.03922394      -0.20983453      -0.12538645
O       -0.78224000       4.46110000       0.95056000       0.23937728      -0.11940891      -1.32178121
O        1.07019000       2.63878000       3.43908000       1.36292847      -0.53413475       0.89966518
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.40693486 magmom=20.000339 free_energy=-109.40693486 stress="-0.034558851821438336 0.00392100451875474 -0.01476966272181919 0.00392100451875474 -0.0490885940220056 0.006756454618963818 -0.01476966272181919 0.006756454618963818 -0.07930100288603588" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.02195000       0.06696000       4.34550000       0.69841795      -0.51354649      -0.08645743
Cr      -0.21859000       3.04708000       2.08704000      -0.54849914      -1.23588557       0.96586726
Cr       1.41896000       0.02594000       1.09968000       1.26735865      -0.16741011      -1.12789584
Cr       2.92178000      -1.54148000       3.33861000       2.85975627       1.10585341      -2.45271838
Cr       4.41088000      -0.05889000       1.16636000      -2.09621130       0.25804672       0.05706173
Cr       2.74844000       1.45602000       3.24868000       0.12698062      -1.57735639      -0.35123936
O       -0.05553000       1.38789000       0.82000000      -0.00175067      -0.44004257       2.41619142
O       -1.95782000       2.97630000       3.37859000       0.83321075       1.06174499       0.72476656
O       -1.54608000       0.04859000       3.17166000      -0.56560605       0.51790699      -0.94320893
O        2.85984000       1.42759000       1.31963000       0.48005617      -1.10358439      -0.92775836
O        2.21344000       4.30353000       1.30516000      -1.03461059       1.23013920       0.43179868
O        1.60917000      -0.16240000       3.07010000      -1.86860130      -0.20055290       0.13771754
O       -0.75034000       4.34484000       0.83007000       0.21907729       1.08019019       0.38602144
O        1.13712000       2.61069000       3.43345000      -0.36957865      -0.01550308       0.76985368
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.19181775 magmom=20.0053027 free_energy=-109.19181776 stress="-0.05335844267114149 0.012374226070094958 -0.00234123463125246 0.012374226070094958 -0.03411009253318896 0.012856695124982317 -0.00234123463125246 0.012856695124982317 -0.06300272327004612" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03197000      -0.04711000       4.34297000      -1.44800041       1.19004163       1.14919166
Cr      -0.30802000       2.99075000       2.21218000      -0.30106647      -0.63810072      -0.16901800
Cr       1.47537000      -0.12096000       1.13424000      -0.19943865       2.38052620      -1.64841924
Cr       2.98259000      -1.47422000       3.26676000       1.04819910       1.25041817       0.35252657
Cr       4.51029000       0.06432000       1.14589000      -2.84591495      -1.34814480      -0.34502622
Cr       2.70479000       1.43715000       3.20637000       0.19934634       0.20901504      -0.14810417
O        0.02026000       1.40747000       0.95032000       0.45583993       0.12273811      -0.45603495
O       -2.01056000       3.15064000       3.30101000       0.62991314      -1.27284962       0.88748141
O       -1.47970000       0.22549000       3.06893000      -1.39957332       0.01420416       0.07002796
O        2.76544000       1.38580000       1.18735000       1.60369895      -1.31286501       1.45313848
O        2.22704000       4.43895000       1.29619000       0.29925998      -0.80742933      -0.06949846
O        1.35988000      -0.18782000       3.12478000       2.69396765      -0.46143062      -1.46756032
O       -0.62313000       4.34375000       0.82621000      -0.83442582       0.09564124       0.35459842
O        1.15426000       2.64624000       3.50058000       0.09819453       0.57823555       0.03669686
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.18498821 magmom=20.0035384 free_energy=-109.18498832 stress="-0.06282630825666334 0.025901771241224694 0.0019110299390532714 0.025901771241224694 -0.03245897368295939 0.00043588945871104307 0.0019110299390532714 0.00043588945871104307 -0.04683957115322801" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.39909000       2.76377000       0.02885000       0.11746219      -0.04385602      -0.29526830
Cr      -0.41641000       2.88736000       2.32381000       1.29561879      -0.15918947      -1.49974650
Cr       1.52515000      -0.14742000       1.07107000      -1.23573577       1.50627982      -0.44386493
Cr       3.12326000      -1.34496000       3.19240000      -0.56479127      -1.05916269       1.70354690
Cr       4.45717000       0.12107000       1.10585000       0.79507848      -1.61839160      -0.58743559
Cr       2.66625000       1.43075000       3.16292000      -1.08454083       1.41726596       1.75885152
O        0.12090000       1.45197000       1.10234000       0.30846766      -0.81335867      -1.92216544
O       -1.91950000       3.11501000       3.36997000      -1.66543973      -0.01864658       1.61263709
O       -1.57225000       0.35532000       3.04125000       0.71902046      -1.28722137       0.86311035
O        2.91051000       1.23408000       1.19265000      -0.35740582       1.71043683       0.11543779
O        2.30292000       4.40186000       1.22852000       0.28923852      -0.38802323       0.15421311
O        1.43198000      -0.24187000       3.06221000       1.19886478       0.72727217       0.04630426
O       -0.61535000       4.34166000       0.96156000      -1.15151972       0.36149628      -1.28286605
O        1.15367000       2.82689000       3.50909000       1.33568226      -0.33490143      -0.22275421
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.71343716 magmom=19.9994578 free_energy=-108.71343716 stress="-0.07517977047989641 0.006623469536524148 -0.013620210323069022 0.006623469536524148 -0.06467574814458309 0.012207158066152702 -0.013620210323069022 0.012207158066152702 -0.06064219032324055" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.29441000       2.70144000       0.06785000       1.38334224      -0.05015816      -0.30907835
Cr      -0.45944000       2.77708000       2.35459000       0.75130613      -0.09853504      -1.29816025
Cr       1.51014000      -0.08819000       1.00332000       0.42359899      -0.46587510       3.28292446
Cr       3.23234000      -1.28402000       3.20760000      -1.36266961      -2.61578788       0.68412905
Cr       4.43250000       0.08497000       1.03016000       0.78461279      -0.51932581       0.55838780
Cr       2.58824000       1.49420000       3.21392000       1.55000467       0.26658012       0.89885196
O        0.19536000       1.42900000       0.99510000      -0.70900985       0.10817939      -0.49907056
O       -1.94445000       3.02287000       3.56270000       0.21940055       0.81992217      -2.45862388
O       -1.55647000       0.27192000       3.17339000      -0.04917447       1.69099587      -2.16393002
O        2.98334000       1.38332000       1.22060000      -0.01118833      -0.73144253       0.86755636
O        2.41924000       4.28105000       1.16161000      -0.84616478       2.22036555       0.85394235
O        1.71004000      -0.15123000       3.00330000      -1.93489204      -0.17245690       0.09625401
O       -0.77237000       4.37428000       0.95674000       0.84076482       0.38898801      -0.51912214
O        1.28623000       2.95529000       3.41836000      -1.03993110      -0.84144970       0.00593921
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.96164703 magmom=20.0049579 free_energy=-108.96164703 stress="-0.06803560428660575 0.013409525105460835 -0.002266461283267778 0.013409525105460835 -0.05658304006753861 0.0057273449823641315 -0.002266461283267778 0.0057273449823641315 -0.07892556390996366" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.26122000       2.67098000       0.09622000       0.82626717       1.53047991      -0.84768171
Cr      -0.44466000       2.65643000       2.29557000       0.06299680      -0.26849013      -1.90252101
Cr       1.50888000      -0.03767000       1.09334000       0.88575723       0.48272139      -0.16018741
Cr       3.25852000      -1.35087000       3.25930000      -1.81563113       1.39751329      -2.27953731
Cr       4.45596000       0.01466000       0.97432000      -1.61027478       2.07910539       1.32999700
Cr       2.59201000       1.57162000       3.31945000       2.30756538      -1.89108900      -2.17924648
O        0.10641000       1.43482000       0.82372000       0.39536654      -0.17369212       0.80743310
O       -1.89457000       3.05121000       3.40020000      -0.24260636       1.00810712       1.83907627
O       -1.47032000       0.34061000       3.02972000      -0.32413149      -0.44781834      -0.18856046
O        2.96552000       1.49278000       1.35225000       0.32962432      -1.49490343      -0.06573063
O        2.34802000       4.46106000       1.17901000      -0.61106515      -0.49270603       0.19217484
O        1.68480000      -0.06627000       2.99927000      -1.30374249      -0.90907654       1.40692873
O       -0.73874000       4.46437000       0.87491000       1.02642121      -0.86709272       0.98076119
O        1.21012000       2.90893000       3.31035000       0.07345274       0.04694120       1.06709388
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.69906817 magmom=19.9974827 free_energy=-108.69906817 stress="-0.02382351444558041 0.0187331986625878 -0.006960374265373877 0.0187331986625878 -0.037023473604540065 -0.02320335486573092 -0.006960374265373877 -0.02320335486573092 -0.08259321704739733" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.29150000       2.74017000       0.08702000       0.61284121       0.22463053      -0.52962500
Cr      -0.42771000       2.51975000       2.13385000      -1.74888377       2.88397547       1.67393547
Cr       1.54372000       0.04758000       1.23546000      -2.38054492       0.62372466      -1.40862813
Cr       3.17440000      -1.36276000       3.19947000      -1.23827995       0.40226734      -0.49725296
Cr       4.40184000       0.02590000       0.98217000       0.22733951       0.01529456      -0.10371285
Cr       2.73120000       1.55180000       3.33449000       0.28735427      -0.48283258      -0.04640798
O        0.02495000       1.42020000       0.77813000       1.39507904      -1.78361273      -1.28640632
O       -1.78737000       3.22176000       3.36455000      -0.68741523      -0.64767093       1.07661652
O       -1.37778000       0.33632000       2.90102000      -0.94189517      -0.25217471       1.70674226
O        2.92501000       1.41142000       1.39933000       0.21171162       0.80479095      -0.95766076
O        2.17790000       4.56232000       1.23221000       1.48160023      -1.97076438       0.17322737
O        1.41537000      -0.10583000       3.22669000       1.97944597       0.36297097      -0.37269734
O       -0.51711000       4.46433000       0.92401000      -1.42952659      -0.32928101       0.06164062
O        1.08051000       2.78578000       3.35703000       2.23117378       0.14868185       0.51022910
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.41007359 magmom=20.0028311 free_energy=-108.4100736 stress="-0.039214959121440705 0.022278348695524794 -0.011340586358654722 0.022278348695524794 -0.029742548818497905 -0.005251309537770532 -0.011340586358654722 -0.005251309537770532 -0.05928565529346664" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.37320000       2.83002000       0.04403000       0.27098988      -0.30532217       0.45633476
Cr      -0.47424000       2.53849000       2.04826000      -0.40109056       2.15955728       1.53666858
Cr       1.47087000       0.12292000       1.28794000       0.12746454      -2.22900586      -1.74935507
Cr       3.03651000      -1.35881000       3.12375000       1.11153139      -1.83717241       2.98251536
Cr       4.35433000       0.03806000       0.99731000       0.80512710      -1.29836572       0.10830612
Cr       2.88179000       1.50130000       3.33576000      -1.24327791       1.26277859       1.01070486
O        0.07568000       1.25546000       0.73589000      -1.32592094       1.70349798       0.74126224
O       -1.76155000       3.22574000       3.46812000      -0.24303794      -1.21318600      -0.50697785
O       -1.43240000       0.27125000       3.06287000      -1.41762804       0.25700286      -1.76898365
O        2.89206000       1.47032000       1.26217000       1.24639234      -0.85315068       1.76937715
O        2.21268000       4.37891000       1.27051000      -0.29292740       1.64788762      -0.81674514
O        1.46433000      -0.08487000       3.38357000       2.21594286       0.08020912      -2.44710699
O       -0.52218000       4.40443000       1.00221000      -0.77851418       0.15443844      -0.30208439
O        1.24845000       2.68911000       3.43774000      -0.07505112       0.47083096      -1.01391600
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.84076517 magmom=20.0021509 free_energy=-108.84076517 stress="-0.07286329130911258 0.001349068362338695 0.015532961533026012 0.001349068362338695 -0.09598465828518475 -0.012667343922336182 0.015532961533026012 -0.012667343922336182 -0.04200212701668203" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48769000       2.89331000       0.00640000       0.36547456      -0.98383343      -0.59798353
Cr      -0.53320000       2.70467000       2.06630000       0.67501550       0.64458258       1.12354925
Cr       1.39144000       0.08223000       1.23047000       2.10492120       0.00337210      -1.02004301
Cr       2.98075000      -1.45869000       3.19365000       3.19053133       0.76979036       0.04202828
Cr       4.35601000      -0.02043000       1.00543000      -0.31429894       0.00067333       0.73078668
Cr       2.93940000       1.52168000       3.38879000      -2.37750391      -1.85950451      -1.35963929
O       -0.07364000       1.36902000       0.86001000       1.03720564      -0.92690360      -1.19629487
O       -1.77486000       3.00945000       3.46021000      -0.44019252       2.40029711       1.86410382
O       -1.58575000       0.17297000       3.06972000       1.98543244      -0.86712132      -0.20956671
O        3.00649000       1.46907000       1.32174000      -0.53440580      -0.29347714      -0.23824577
O        2.23329000       4.41399000       1.18551000      -1.12444259       0.63534979       0.77866599
O        1.74047000      -0.04401000       3.16806000      -2.53828932      -0.15832306       0.10204029
O       -0.67228000       4.36144000       1.02289000       0.13952106       1.24649552      -0.36583986
O        1.36953000       2.69338000       3.35946000      -2.16896863      -0.61139772       0.34643872
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.52434094 magmom=20.0028522 free_energy=-109.52434094 stress="-0.036420940321088474 0.005917528902191805 0.014066419873700857 0.005917528902191805 -0.0402639786541067 0.00635904473809683 0.014066419873700857 0.00635904473809683 -0.06253447256019279" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07261000       0.02550000       4.31063000       0.31831097      -0.07667679       0.49533301
Cr      -0.54985000       2.89619000       2.14031000       1.09639083      -1.04425567       0.45620415
Cr       1.43172000       0.04340000       1.13318000       0.39448187       1.51969906       0.76608582
Cr       3.07330000      -1.51511000       3.27200000      -0.28267430       1.24078255      -0.77033530
Cr       4.33876000      -0.06901000       1.04711000      -0.54222012       1.90494439       0.14409319
Cr       2.86371000       1.45586000       3.36134000      -1.07178544      -1.18528439      -1.55213769
O       -0.11617000       1.43550000       0.88240000       0.62622512      -0.75573856      -0.12462065
O       -1.84440000       3.08862000       3.59801000      -0.66896323      -0.13012904      -1.24057359
O       -1.42175000      -0.02952000       3.07885000      -1.17270410       1.32714627      -0.49976245
O        2.99935000       1.43800000       1.31910000      -0.35380284      -0.28348400       0.27044474
O        2.11692000       4.48497000       1.17326000       0.32031204      -1.52506816       0.52857797
O        1.61086000      -0.07524000       3.02507000       0.17072959      -0.76676100       1.60450567
O       -0.75801000       4.44430000       0.99208000       0.65801746      -0.26718598      -0.91705602
O        1.16078000       2.66644000       3.32908000       0.50768216       0.04201130       0.83924117
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.35848862 magmom=20.0034437 free_energy=-109.35848873 stress="-0.045592085842275205 0.0177659827202991 0.023787546962812357 0.0177659827202991 -0.02008431204915008 0.002861777253815237 0.023787546962812357 0.002861777253815237 -0.07046265365776583" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17225000       0.03761000       4.29687000      -2.19211052       0.86053746       2.16178801
Cr      -0.50003000       3.01265000       2.22014000       1.28425418      -0.78068505      -1.05604891
Cr       1.49124000       0.07112000       1.08971000      -1.87752330      -1.23077339       0.02676970
Cr       3.13920000      -1.48797000       3.30156000      -2.18408387       0.08103076      -0.61246719
Cr       4.30342000      -0.02687000       1.09025000       0.94654907      -0.05026121      -0.76008693
Cr       2.73261000       1.33486000       3.25755000       0.14897237       1.72826726       0.93725889
O       -0.06489000       1.38921000       0.91446000       0.04255680       0.13433443       0.35587625
O       -1.93685000       3.11535000       3.49499000       0.20366597      -1.58738855      -0.06686238
O       -1.39203000       0.00083000       3.07534000      -1.53619204       1.02069578      -0.20833004
O        2.89213000       1.39137000       1.28703000       0.46143459      -0.16585075       0.17789294
O        2.10091000       4.31799000       1.23253000       0.58072178       0.74074070       0.67209279
O        1.50800000      -0.22385000       3.11333000       2.83800575      -0.40683996      -2.13751680
O       -0.71313000       4.44726000       0.87654000      -0.37748820      -0.17624009      -0.07915322
O        1.00101000       2.67508000       3.43126000       1.66123741      -0.16756742       0.58878689
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.36305047 magmom=20.0001642 free_energy=-109.36305047 stress="-0.05147159497860025 0.0076211715746439136 0.002839520874876069 0.0076211715746439136 -0.04254458335933297 0.0037347860169200144 0.002839520874876069 0.0037347860169200144 -0.06182597881158647" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71155000       2.96399000       0.01385000      -0.17815275      -0.48302127      -0.81891032
Cr      -0.36781000       3.07155000       2.24690000       0.98534473      -0.45641163      -0.43999897
Cr       1.44341000       0.03154000       1.04749000      -0.56140100      -2.07651666      -1.13992433
Cr       3.11092000      -1.47120000       3.30127000       1.34597926      -1.66695871       0.21474186
Cr       4.32624000       0.02327000       1.09797000       0.49618615      -0.77558203       0.92400111
Cr       2.61991000       1.32268000       3.20612000       1.20457637       1.96392121       0.77664516
O       -0.02937000       1.37508000       1.01502000       0.25189996      -0.16574882      -0.77921107
O       -1.97580000       2.87396000       3.30028000      -0.57833653       1.21246981       1.79203612
O       -1.58657000       0.19408000       3.08794000       0.57632609      -0.92124767       0.36914461
O        2.83686000       1.34304000       1.22814000       0.21133107       0.11941919      -0.29830251
O        2.24869000       4.23601000       1.34286000      -0.61380381       1.58201196      -0.20985076
O        1.66448000      -0.35052000       3.01928000      -3.05646664       1.47648166       0.38031990
O       -0.70325000       4.35134000       0.82579000      -0.65427444       0.68658442       0.28092178
O        1.06639000       2.71037000       3.55499000       0.57079154      -0.49540147      -1.05161259
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.26823942 magmom=20.0050648 free_energy=-109.26823942 stress="-0.06505183957681178 0.000730853817736597 -0.0040325413915813894 0.000730853817736597 -0.059409489942795705 0.012319104806400631 -0.0040325413915813894 0.012319104806400631 -0.041324491220537475" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.67007000       2.98741000       0.07958000      -0.71600480      -0.09285381      -0.79226267
Cr      -0.16319000       3.09290000       2.24129000      -1.05441405      -0.62058323      -0.48844735
Cr       1.35167000      -0.13041000       0.94281000       2.23825517       1.12165554       1.89634881
Cr       3.12104000      -1.51557000       3.30215000      -0.19346707       2.14562557       0.20853046
Cr       4.38396000       0.04383000       1.15093000      -1.07854370       0.09714023       0.64124173
Cr       2.56483000       1.41092000       3.19708000       0.85056977      -2.16861240      -0.78688292
O        0.01525000       1.35483000       1.00103000      -0.16341675      -0.03404061      -0.58108898
O       -2.00859000       2.85253000       3.36273000       0.91510489       1.28322280      -0.23094470
O       -1.70082000       0.21223000       3.18332000       1.01297312      -0.75007148      -0.38560808
O        2.81476000       1.31842000       1.09145000       0.02060217      -0.76334243       1.18423697
O        2.34519000       4.38384000       1.35336000      -1.87821258       0.03552829      -0.06915638
O        1.36968000      -0.23315000       3.00599000       1.14069418      -0.76959006      -0.74135766
O       -0.79694000       4.30316000       0.89360000      -0.45612329       0.49229019      -0.83150856
O        1.20937000       2.71298000       3.48202000      -0.63801705       0.02363141       0.97689934
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.25359524 magmom=19.9953086 free_energy=-108.25359524 stress="-0.05830857012715187 0.022950282248931943 -0.01176415131472127 0.022950282248931943 -0.05598087803529133 0.017086922405802216 -0.01176415131472127 0.017086922405802216 -0.05117891733375617" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.58161000       2.98463000       0.11395000      -0.16265137      -0.18377416      -0.27034188
Cr      -0.00647000       3.07241000       2.18940000      -2.87892220       0.00670356      -1.38891952
Cr       1.36429000      -0.24984000       0.92431000      -0.30233421       3.91875075       1.17436937
Cr       3.13448000      -1.45894000       3.31298000      -0.85434227      -0.12677993       0.15653509
Cr       4.38507000       0.07072000       1.25261000      -0.89901300      -0.47567252      -1.45616026
Cr       2.56867000       1.40310000       3.15072000       0.72747116      -0.78493641       0.35572016
O        0.00279000       1.33118000       0.89929000      -0.04379011       0.34906395       0.78656281
O       -1.87480000       3.07373000       3.39223000      -0.37794024      -1.49161471      -1.04970976
O       -1.61496000       0.08121000       3.23103000      -0.16497015       1.92358113      -0.61744607
O        2.79315000       1.26039000       1.12245000       0.27772123       0.16044498       1.47077723
O        2.14977000       4.48781000       1.27639000       0.82388840      -1.73632870       1.10270662
O        1.14594000      -0.15678000       2.95919000       2.68894874      -0.76132531      -0.66356028
O       -0.91744000       4.29795000       0.90359000       0.77647354      -0.47251232      -0.87220751
O        1.24083000       2.74713000       3.49141000       0.38946049      -0.32560032       1.27167400
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.19261059 magmom=20.0013593 free_energy=-108.19261147 stress="-0.006251374012060481 0.027596791749415598 -0.010413055666527924 0.027596791749415598 -0.029144992096242182 0.0010312519784335629 -0.010413055666527924 0.0010312519784335629 -0.1067910803021" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.45944000       2.93563000       0.11206000       2.29841744      -1.90624015      -1.60720052
Cr      -0.00294000       3.02867000       2.05527000      -0.78173218       0.37519125       1.74449774
Cr       1.38401000      -0.14778000       0.97889000      -0.06511064       1.11597886      -1.00121831
Cr       3.11852000      -1.37949000       3.34583000      -0.36285221      -2.12812994      -0.35853010
Cr       4.33590000       0.07933000       1.28201000       0.79441517      -1.67922411      -3.02806737
Cr       2.62598000       1.33893000       3.13580000      -0.24384193       2.60639495       4.42234227
O       -0.05250000       1.37708000       0.94157000       0.76071775      -0.59074384       0.08011932
O       -1.75774000       3.08261000       3.23812000      -1.58100097      -0.37827945       1.39744031
O       -1.51063000       0.22149000       3.17992000      -1.36693289      -0.15496403      -0.05973542
O        2.82429000       1.30173000       1.35768000       0.02411461       0.07969340      -3.45504150
O        2.01161000       4.21990000       1.33363000       0.19104874       2.11076570       1.48541688
O        1.36228000      -0.19286000       2.92133000       0.23451359      -0.36708672       1.53874656
O       -0.83061000       4.21721000       0.79654000       0.30863455       1.21127456      -0.19094169
O        1.22550000       2.78747000       3.61769000      -0.21039103      -0.29463047      -0.96782815
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.97332175 magmom=20.0030104 free_energy=-107.97342453 stress="-0.03481081805584664 0.03264497071108429 -0.02857354561642596 0.03264497071108429 -0.05731669400103133 0.011808746329448375 -0.02857354561642596 0.011808746329448375 -0.0909837772799437" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.41794000       2.79499000       0.03191000       1.18323713       0.94291107      -0.84394339
Cr      -0.08615000       2.99782000       1.99929000      -0.00355203       1.20841468       2.82236521
Cr       1.39614000       0.06962000       1.00538000       1.78478027      -2.11985136       0.50619473
Cr       3.08728000      -1.41600000       3.37481000       0.93974412      -1.37833174      -0.67824803
Cr       4.31186000       0.01261000       1.14792000      -0.17835689      -0.67785667      -0.16019292
Cr       2.68574000       1.40968000       3.29395000      -0.04872644       1.77091635      -3.04540233
O       -0.01557000       1.38624000       1.03436000      -0.23041461      -1.32335417      -1.41409853
O       -1.84102000       2.99069000       3.26770000      -0.65200200       0.90948843       1.47969113
O       -1.55667000       0.33219000       3.11982000       0.06809422      -1.83905771      -0.46633825
O        2.84954000       1.38770000       1.19121000       0.37558613      -1.66704185       1.38707061
O        2.00125000       4.04397000       1.51277000       0.43410251       2.02857433      -1.87503339
O        1.63935000      -0.24488000       3.16203000      -2.50646226       1.31599506      -0.36188829
O       -0.58876000       4.29264000       0.74338000      -1.60804527       1.85594880       2.10006121
O        1.13533000       2.78246000       3.53908000       0.44201512      -1.02675522       0.54976223
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.00876315 magmom=19.9999421 free_energy=-109.00876379 stress="-0.07518599553640423 0.00472025497802096 -0.018282467538050847 0.00472025497802096 -0.06746188572270546 0.016738896019222203 -0.018282467538050847 0.016738896019222203 -0.049257319589767916" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09573000      -0.16454000       4.29833000      -0.52739491       0.99496971       0.30244707
Cr      -0.16040000       3.01644000       2.07886000      -0.65886783       0.17583868       0.29847826
Cr       1.48210000       0.13536000       1.05359000      -0.79656598      -2.77839128       1.73358989
Cr       3.08080000      -1.49508000       3.35048000      -1.17979418       1.80699817      -1.25575200
Cr       4.29104000      -0.06969000       1.03687000       0.21802058      -0.34195395       2.10269846
Cr       2.73146000       1.52612000       3.32633000      -0.10358636      -2.69068723      -0.69993298
O       -0.03523000       1.32728000       0.95566000      -0.38093221       0.80856433       0.12051736
O       -1.95037000       3.04482000       3.45816000       1.50049949       0.51848728      -0.70337429
O       -1.59245000       0.12837000       3.06485000      -0.33243991       0.28939993      -0.23299111
O        2.90678000       1.30607000       1.16144000       0.97937193       0.85861576       1.56616152
O        2.06150000       4.18614000       1.35997000       0.41103555       1.44942279      -0.31272521
O        1.53460000      -0.11058000       3.33517000       1.44217970      -0.26856600      -2.08797831
O       -0.62016000       4.54731000       0.97300000      -1.18893990      -0.86177744      -0.79926654
O        1.12113000       2.66040000       3.47994000       0.61741403       0.03907926      -0.03187213
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.48430098 magmom=20.0033454 free_energy=-109.48430098 stress="-0.07227295124440253 0.0046214883077639775 -0.011804115778793919 0.0046214883077639775 -0.06357781710055022 0.018775953549352905 -0.011804115778793919 0.018775953549352905 -0.02413392114078713" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.08422000      -0.16929000       4.24969000      -0.20861337      -0.07098112       1.12082376
Cr      -0.24161000       3.03000000       2.15049000      -0.66651839      -0.92514372       0.17765297
Cr       1.50431000       0.06801000       1.15046000      -1.54965537       0.52503638      -0.27135561
Cr       3.03787000      -1.47699000       3.28223000       0.01163477       0.23671582       0.18550843
Cr       4.28952000      -0.11633000       1.05404000       1.22779155       2.77945628       0.53764982
Cr       2.76620000       1.49440000       3.30781000       0.91458874      -0.74888509       0.26793232
O       -0.09909000       1.42086000       0.92786000       0.68933352      -0.41608368      -0.21153780
O       -1.84622000       3.12495000       3.48880000      -0.28176597      -0.44985661       0.03737472
O       -1.60120000       0.00921000       3.05909000       0.07369308       1.55060152      -0.18111776
O        2.99889000       1.37531000       1.31965000      -0.90263966       0.42361605      -0.24932415
O        2.16733000       4.42844000       1.15170000      -1.29009752      -1.55522329       0.94697125
O        1.55267000      -0.04406000       3.19780000       0.58746245      -1.03983319      -1.09955588
O       -0.74807000       4.52849000       1.06462000       1.13748416      -0.87426160      -1.63532531
O        1.18732000       2.63271000       3.41535000       0.25730202       0.56484225       0.37430325
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.44230998 magmom=20.0012959 free_energy=-109.44231002 stress="-0.04246030780678335 0.013164201690490679 -0.0077510406023770136 0.013164201690490679 -0.02509285719693358 0.023654385295596495 -0.0077510406023770136 0.023654385295596495 -0.07797094089266092" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.08357000      -0.16509000       4.26618000       0.36454736       0.54916213       0.71685979
Cr      -0.34651000       2.98501000       2.21833000       0.76311430      -1.07818004      -0.22466731
Cr       1.43592000       0.02651000       1.19270000      -0.04388921       0.88421579      -3.67621555
Cr       3.01249000      -1.43776000       3.23146000       2.18940146      -0.72421882       0.16661763
Cr       4.35144000      -0.02498000       1.10722000       0.15066992       0.63566115      -1.37952622
Cr       2.83653000       1.42267000       3.30060000      -0.80602702       1.59014396       0.01712967
O       -0.06471000       1.47718000       0.92681000       0.37695044      -1.16432796      -0.44349950
O       -1.78311000       3.09112000       3.47213000      -1.80617981       0.31789524       1.13405465
O       -1.54919000       0.13229000       3.07000000      -0.09250266      -0.18895317      -0.62505199
O        2.90284000       1.51399000       1.36055000       0.41048542      -1.67570047      -0.39864132
O        2.14052000       4.41073000       1.10152000       0.45251328      -0.09394206       1.06666389
O        1.61308000      -0.14919000       3.00457000      -1.06848312       0.21549707       2.69661333
O       -0.68685000       4.33404000       0.90157000      -0.56646020       1.52448215       0.01626225
O        1.25279000       2.74195000       3.39202000      -0.32414015      -0.79173497       0.93340068
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.12970367 magmom=20.0025777 free_energy=-109.12970368 stress="-0.04646488545240917 0.009285746881371546 0.003129430716256773 0.009285746881371546 -0.031539926568625164 0.006409510653620942 0.003129430716256773 0.006409510653620942 -0.08433962370673485" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06065000      -0.11299000       4.34459000      -0.07519102       0.87739805       0.59256201
Cr      -0.43638000       2.86004000       2.28417000       1.02633307       0.09541482      -0.78038990
Cr       1.35934000       0.01969000       1.06335000       2.39134217      -1.20726382       2.44926485
Cr       3.09389000      -1.43240000       3.18465000      -0.66537964       0.30226101       0.57554985
Cr       4.43740000       0.13617000       1.08821000      -2.10437717      -2.37474805      -0.97805484
Cr       2.86234000       1.42391000       3.27997000      -3.19841959      -0.18621438      -0.72064727
O        0.03289000       1.40553000       0.91668000      -0.12341631       1.24274931      -0.12450184
O       -1.94980000       3.05863000       3.52694000       0.82521470       0.52753165      -1.35819743
O       -1.43968000       0.24338000       3.02898000      -0.57415349      -0.50697541      -0.10642180
O        2.80437000       1.38792000       1.26020000       1.31886526      -0.87089991       0.90914670
O        2.18492000       4.30378000       1.24417000       0.03868931       1.51518686       0.02295656
O        1.47124000      -0.23654000       3.19717000       1.70386020       0.52921556      -1.91161366
O       -0.65158000       4.31505000       0.80249000      -0.57899903       0.60164979       1.83082314
O        1.21167000       2.78812000       3.48506000       0.01563155      -0.54530549      -0.40047636
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.70233429 magmom=20.0032028 free_energy=-108.70233429 stress="-0.06449356379848131 0.01584948860839101 0.006751792579895821 0.01584948860839101 -0.041439066722149996 -0.02497969887990017 0.006751792579895821 -0.02497969887990017 -0.05945526976447565" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.52944000       2.89490000       0.12843000       0.31945841      -0.79510420      -0.80455205
Cr      -0.47601000       2.70720000       2.31347000       0.87142412       0.82901779      -1.46235284
Cr       1.39946000      -0.04736000       1.00962000       1.12637784      -0.33511631       1.93880033
Cr       3.16778000      -1.41383000       3.17340000      -1.37599090       1.34710422       1.93553664
Cr       4.43719000       0.19907000       1.00315000       0.25337673      -3.40931315       1.70409313
Cr       2.70109000       1.42516000       3.22796000      -0.80945358      -0.94560245       0.99707183
O        0.10424000       1.49594000       0.91296000       0.19239459      -0.75995440      -1.05960077
O       -1.99230000       3.05273000       3.35349000       0.01555579      -0.46130709       1.34679061
O       -1.38308000       0.23248000       3.02976000      -1.26275581       0.46512719       0.22631783
O        2.87086000       1.17578000       1.20396000      -0.63357548       3.05917855       0.42748959
O        2.28977000       4.37450000       1.33980000      -0.87196785       1.02605612      -1.59441629
O        1.49108000      -0.18545000       3.21166000       1.28910533       0.14434434      -1.39891191
O       -0.69494000       4.40214000       1.02878000      -0.52126936      -0.11717688      -1.41666810
O        1.11282000       2.75950000       3.48098000       1.40732017      -0.04725372      -0.83959799
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.14360021 magmom=19.9986786 free_energy=-108.14360022 stress="-0.07938536609433966 0.014991762274003595 0.01213014963999155 0.014991762274003595 -0.11433357506398587 -0.021239656232786796 0.01213014963999155 -0.021239656232786796 -0.030843512917648988" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59862000       2.99858000       0.22940000      -0.37132815      -0.64195737      -3.30250875
Cr      -0.45960000       2.59740000       2.26430000      -0.49887025       0.89299907      -0.86991687
Cr       1.50646000      -0.13711000       1.06582000      -2.16397432       2.56968044      -1.58604328
Cr       3.17929000      -1.33089000       3.24355000       0.57765906      -1.34086540      -0.58768014
Cr       4.42183000       0.09496000       0.99343000       0.20778560       0.99780164       1.00217035
Cr       2.49573000       1.40014000       3.21979000       4.67901962       2.87526920       0.66109030
O        0.13251000       1.49995000       0.81245000      -0.22816414      -1.80256927       0.10403996
O       -1.97387000       2.97362000       3.31086000      -0.98394299       0.36901345       2.02340063
O       -1.50494000       0.23927000       3.12539000       0.11756495       0.61735610      -0.63166787
O        2.87887000       1.43405000       1.18987000       0.45048439      -1.72315903       1.31756641
O        2.29348000       4.56298000       1.18097000       0.26546313      -0.74851487       1.50857469
O        1.64478000      -0.15054000       3.02560000      -2.64100214      -2.19115376       0.67329690
O       -0.78292000       4.45922000       1.09255000       0.44359264      -0.83562583      -1.47766817
O        1.16459000       2.75075000       3.30286000       0.14571261       0.96172563       1.16534584
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.84579685 magmom=19.9968385 free_energy=-108.84579685 stress="-0.04687062606899326 0.007241447896179413 0.01628024417618565 0.007241447896179413 -0.07904811523635985 -0.017457094290911777 0.01628024417618565 -0.017457094290911777 -0.05828308384837967" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.65068000       3.05058000       0.15381000      -0.06345934      -1.41956557      -2.39893528
Cr      -0.45938000       2.56514000       2.17529000      -1.17868004       1.02200456       0.67530181
Cr       1.49008000      -0.09915000       1.05280000      -0.73979921       0.69374199       0.48618413
Cr       3.20154000      -1.31297000       3.28061000      -1.27533297      -1.65134943      -0.83206500
Cr       4.42858000       0.03307000       1.04908000      -0.83178142       0.88790788       0.14685716
Cr       2.52591000       1.48251000       3.24668000       1.66384160      -0.91627971      -0.04438117
O        0.05572000       1.25814000       0.83516000       0.42246295       1.17386850       0.78044975
O       -2.00567000       2.93728000       3.52178000       1.37903548       0.92656289      -1.81251709
O       -1.58160000       0.30085000       3.16447000       0.80452323       0.05393734      -0.48437240
O        2.89331000       1.51635000       1.31236000       0.27434975      -1.42618429      -0.24060723
O        2.31533000       4.54121000       1.21396000      -0.81509270      -0.21314768       1.62809803
O        1.45150000      -0.32136000       3.02185000       0.60977632       1.52867919       0.70921138
O       -0.76609000       4.35451000       0.89565000      -0.03278942      -0.25039404       0.08744576
O        1.18097000       2.86997000       3.26388000      -0.21705424      -0.40978163       1.29933015
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.79691915 magmom=19.9999805 free_energy=-108.79691935 stress="-0.03483953924014218 0.020374275317848904 0.040402409390843615 0.020374275317848904 -0.028703019175899337 -0.029311309583678082 0.040402409390843615 -0.029311309583678082 -0.09854820132824148" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13386000       0.15912000       4.32803000      -2.25967972       0.12434756       2.85217845
Cr      -0.50516000       2.61093000       2.12889000       0.39394611       1.83753067       1.05003040
Cr       1.42001000      -0.01860000       1.05631000       1.96500466      -1.57945126       1.54189643
Cr       3.16099000      -1.38553000       3.28336000      -0.99798242       0.02971677       1.37238516
Cr       4.38267000       0.01413000       1.11914000      -1.23254583      -1.14574360      -0.08583052
Cr       2.67218000       1.53303000       3.26411000      -0.19342381      -1.12032393      -1.07127787
O        0.01584000       1.24287000       1.00238000       0.65607087       0.28606350      -2.20966021
O       -1.81979000       3.04897000       3.44060000      -1.60915306       0.78157246       0.61606626
O       -1.50064000       0.29931000       3.15999000      -0.31412687      -0.63620482      -0.38816163
O        2.90714000       1.36973000       1.32801000      -0.19393044       0.26094768      -1.14185310
O        2.25696000       4.36898000       1.41889000      -0.37985791       0.82375956      -1.75833637
O        1.38261000      -0.21317000       3.12846000       3.67284260       0.06233863      -3.14448095
O       -0.71949000       4.19958000       0.76740000      -0.24609466       1.40029817       1.88036753
O        1.11346000       2.88900000       3.42749000       0.73893047      -1.12485139       0.48667644
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.26159753 magmom=20.0056037 free_energy=-109.26159753 stress="-0.041504169881593125 0.01672193276458026 0.006750871901126171 0.01672193276458026 -0.03043277162891928 -0.01608435891863939 0.006750871901126171 -0.01608435891863939 -0.07666113989272362" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09294000       0.13104000       4.25534000       1.12990653      -0.37059960       0.81075426
Cr      -0.51180000       2.74675000       2.13829000       1.29638926       0.01583957       0.26667111
Cr       1.45050000      -0.01757000       1.13306000      -0.12208618      -0.18155875      -2.17146674
Cr       3.06799000      -1.45925000       3.33213000      -0.07265777       0.74949750      -0.53986816
Cr       4.28284000      -0.05511000       1.17047000       1.96898822      -0.08224511      -1.04957395
Cr       2.80130000       1.51675000       3.23902000      -0.20481683       0.16761756       0.38418876
O        0.04011000       1.36700000       0.89742000      -0.53551132      -0.74554205       0.57124190
O       -1.87005000       3.22116000       3.37953000      -0.98214763      -1.47490519       1.36173626
O       -1.44654000       0.16954000       3.12496000      -1.61549362       0.60583634      -0.54996840
O        2.87569000       1.31922000       1.13481000       0.67338492       0.85752679       1.07338342
O        2.16107000       4.32192000       1.32681000      -0.14296207       0.22918848      -0.07736330
O        1.69753000      -0.01255000       2.97466000      -1.52312287      -1.17781434       2.26127143
O       -0.69745000       4.27185000       0.95092000      -0.09041484       1.46507092      -0.79865833
O        1.13822000       2.71115000       3.59660000       0.22054419      -0.05791213      -1.54234827
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.4083767 magmom=20.0063367 free_energy=-109.4083767 stress="-0.07231444646355434 0.00886787421283535 0.008095926405119592 0.00886787421283535 -0.06663936447074638 -0.009349182621651698 0.008095926405119592 -0.009349182621651698 -0.026551393852419895" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08959000       0.08931000       4.24008000      -0.20387827      -0.30263085       0.18752461
Cr      -0.45484000       2.87988000       2.15701000       0.47767999      -0.32560920       0.73710972
Cr       1.48428000      -0.01729000       1.12056000      -0.44861772       1.94880878      -0.02094533
Cr       2.98484000      -1.48202000       3.35193000       0.57671216       0.31428454      -0.75169373
Cr       4.29536000      -0.11022000       1.14121000       1.02738316       1.44068964      -1.34102542
Cr       2.87921000       1.49892000       3.23214000      -2.37387068      -1.10034210       0.02064154
O       -0.06253000       1.39177000       0.93363000       0.12589535      -0.66314265       0.20869663
O       -2.00543000       3.08938000       3.48419000       1.76062087       0.66708065      -0.16478381
O       -1.56620000       0.11760000       3.07744000       0.37280822      -0.07766198       0.25521027
O        2.92508000       1.41372000       1.11904000       0.15511494      -0.68545063       1.30553574
O        2.10807000       4.33273000       1.17855000       0.03194145       0.21664997       1.47741072
O        1.68714000      -0.04609000       3.13251000      -0.71571154      -0.94297709      -0.80836922
O       -0.67364000       4.49273000       1.06939000      -0.49194383      -1.14030243      -1.03672913
O        1.17843000       2.59057000       3.47348000      -0.29413409       0.65060334      -0.06858260
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.09932209 magmom=20.0025571 free_energy=-109.09932217 stress="-0.07768207202265524 0.014247153718047814 0.008039404790196275 0.014247153718047814 -0.0528365490614454 0.00727417612309226 0.008039404790196275 0.00727417612309226 -0.028357574009108898" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05148000       0.02968000       4.26467000      -2.05844868       0.51187750       2.08674365
Cr      -0.36397000       2.99469000       2.20470000       0.02577959      -0.45544753      -0.43272656
Cr       1.48740000       0.08041000       1.09352000      -0.70164284      -0.40712361       1.03863648
Cr       2.94279000      -1.48421000       3.32768000       2.25133036      -0.24599946      -0.55509471
Cr       4.36903000      -0.08835000       1.03876000      -1.63550779       0.55350851       1.16610873
Cr       2.83280000       1.43311000       3.23204000      -0.99097111      -0.35985816       1.01874150
O       -0.16991000       1.35198000       1.06909000       1.50988304      -0.02411360      -1.68899727
O       -1.82992000       2.98671000       3.51214000      -1.11551870       0.88190907      -0.09072136
O       -1.59703000       0.04586000       3.11826000       0.14155774       0.05493428      -0.39141464
O        2.96212000       1.43740000       1.28732000      -0.39906926      -0.68175537      -0.45225347
O        2.12322000       4.37367000       1.22200000       0.14502928       0.12773263       0.46213880
O        1.49548000      -0.27309000       3.20438000       1.78648604       0.96619385      -2.40127366
O       -0.69378000       4.47962000       1.03423000       0.01620550      -0.38276176      -1.84864752
O        1.16722000       2.63331000       3.28583000       1.02488684      -0.53909635       2.08876005
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.06359844 magmom=19.9996245 free_energy=-109.06359845 stress="-0.046642526741331417 -0.002548831793564017 -0.009605961203150768 -0.002548831793564017 -0.034183213791157074 0.01721758343111132 -0.009605961203150768 0.01721758343111132 -0.09498369691227491" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.44543000       2.85627000       0.04743000       1.03627431       0.04653880       0.16192422
Cr      -0.24939000       3.09239000       2.23651000       0.07501150      -0.42281109      -1.31232195
Cr       1.45353000       0.17558000       1.10327000      -0.30867545      -3.36448525      -1.42203902
Cr       3.03522000      -1.49490000       3.26191000       1.71185558      -0.02034684      -0.19426209
Cr       4.37740000      -0.02601000       0.98754000      -0.33216472      -0.71244987       2.10107368
Cr       2.70954000       1.31887000       3.28136000       1.44888118       0.43785974      -0.79161464
O       -0.04383000       1.35958000       0.96752000      -0.33491844       0.68437673      -0.52167398
O       -1.73706000       3.05257000       3.46533000      -2.09716340      -0.13723070       0.56500148
O       -1.54434000      -0.01446000       3.15374000      -0.88007685       1.49253070      -1.42091945
O        2.89821000       1.36292000       1.35828000       0.98344139       0.57021147      -0.85805804
O        2.21940000       4.40519000       1.29340000      -0.47553165      -0.09295865      -0.70114066
O        1.43816000      -0.32478000       2.98055000      -0.08693089       0.75638695       1.63710003
O       -0.71788000       4.29026000       0.75500000      -0.37938195       1.18691814       2.26275788
O        1.24428000       2.66591000       3.38609000      -0.36062062      -0.42454011       0.49417255
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.94324703 magmom=19.9994017 free_energy=-108.94324703 stress="-0.035878525790307175 0.030623227229156186 -0.029468622021475453 0.030623227229156186 -0.0458702156528185 0.021164421512447525 -0.029468622021475453 0.021164421512447525 -0.08949906492731168" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.31351000       2.80032000       0.19668000       0.23234479      -0.19066457      -2.65584569
Cr      -0.14490000       3.15471000       2.21395000      -0.17987593      -1.49126518       0.98317431
Cr       1.40398000       0.10508000       1.04845000       0.26416257      -1.88012024      -0.22268614
Cr       3.22349000      -1.50935000       3.17950000      -2.29493656       0.59629777       0.55669310
Cr       4.36299000       0.00702000       1.05426000       1.00190400       0.45310191       0.17363690
Cr       2.65233000       1.23329000       3.29709000       0.27201505       2.35327594      -0.24524373
O        0.05583000       1.49298000       0.79726000      -0.61543102      -0.34087495       1.00006386
O       -1.89504000       3.07637000       3.41789000       1.29475401      -1.36142167      -0.20301070
O       -1.55755000       0.16084000       3.03955000       0.30342164      -0.21671619       0.33665676
O        2.91466000       1.36327000       1.25152000       0.00748153      -0.84182431       1.19213119
O        2.26965000       4.38067000       1.22063000      -1.00847015       1.22181375       0.72095372
O        1.35794000      -0.20264000       3.00881000       0.72377397      -0.56184525       0.23184672
O       -0.75402000       4.26894000       0.87171000      -0.29902307       2.27916300      -0.71361700
O        1.23655000       2.68293000       3.51883000       0.29787916      -0.01892001      -1.15475329
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.61411094 magmom=20.0003637 free_energy=-108.61411139 stress="-0.060233014486139234 0.018592385554300556 -0.04156381269422653 0.018592385554300556 -0.06376078587951894 0.0211259548108368 -0.04156381269422653 0.0211259548108368 -0.03578214994884539" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.21966000       2.74808000       0.20969000       0.96135398       0.06814171      -1.67831765
Cr      -0.08393000       3.13583000       2.22063000      -1.75914359      -0.08720470      -0.61292978
Cr       1.37936000      -0.05524000       0.98284000       2.04213752       2.20832110       1.40554934
Cr       3.29385000      -1.49791000       3.14181000      -2.30420120       0.30451525       1.19629169
Cr       4.39513000       0.06797000       1.11654000      -0.77338696       1.58412445      -1.55286220
Cr       2.62472000       1.28053000       3.27610000       0.38585459       2.00268765       0.11246154
O        0.02957000       1.54585000       0.81526000       0.42118760      -1.08289309      -0.08598170
O       -1.84314000       2.90008000       3.31997000      -0.17413827       0.44182546       0.57628022
O       -1.52787000       0.25933000       3.04882000      -0.15726022      -1.16441431       0.56665719
O        2.87895000       1.30639000       1.26400000      -0.54283441      -0.26844009       0.66203721
O        2.17867000       4.44699000       1.19512000       0.26249649      -0.10175520       0.41801032
O        1.38886000      -0.15683000       3.13870000       0.34963475      -1.09131660      -0.70684142
O       -0.77774000       4.54730000       1.04365000      -0.25841170      -2.33127105      -1.47681765
O        1.24428000       2.73756000       3.43825000       1.54671143      -0.48232058       1.17646289
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.44180278 magmom=20.0006257 free_energy=-108.44181253 stress="-0.08074996416774577 -0.015011080662250044 -0.03922142763425349 -0.015011080662250044 -0.08810477271195993 0.020298713648537095 -0.03922142763425349 0.020298713648537095 -0.038593292036133556" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.20200000       2.70422000       0.12823000       2.45665048       0.01998094       0.70449055
Cr      -0.11836000       3.07422000       2.21919000      -0.25415771       0.42157387      -0.77043552
Cr       1.45980000      -0.12137000       0.99571000      -0.98803946       0.90790687       1.14580633
Cr       3.21948000      -1.45622000       3.17867000      -0.91108752      -0.09496026       0.53625309
Cr       4.40012000       0.21862000       1.09632000      -0.72425484      -2.17317227       0.21998353
Cr       2.61838000       1.43393000       3.26480000       1.40671648      -2.71869429       0.87082770
O        0.05720000       1.42324000       0.90055000       0.74579408       0.18157614      -0.58166385
O       -1.72281000       2.78570000       3.30404000      -1.38793034       1.55546450       1.23230549
O       -1.55664000       0.11168000       3.15848000      -1.13111873       1.83988813      -2.68678674
O        2.71209000       1.26179000       1.34265000       1.77771505       1.08857074      -0.41981356
O        2.16162000       4.41627000       1.20387000       1.16287510      -0.65209629       0.14672047
O        1.49555000      -0.24898000       3.19643000       0.11020620      -0.09846356      -0.60304873
O       -0.80872000       4.48070000       0.93674000       0.18728250      -0.69379909      -0.14222945
O        1.38721000       2.79039000       3.43124000      -2.45065130       0.41622456       0.34759069
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.27528871 magmom=20.001469 free_energy=-108.27530182 stress="-0.0529946332680877 0.01179693791846897 -0.021249435110968263 0.01179693791846897 -0.04155831523540354 0.025361084591105275 -0.021249435110968263 0.025361084591105275 -0.08855926641168474" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.31376000       2.67124000       0.03008000      -0.24708945       0.98191267      -1.81224089
Cr      -0.21538000       2.99728000       2.17510000      -0.64690161      -0.81282747       0.09194226
Cr       1.54627000      -0.13333000       1.08856000      -0.87407385      -0.67394592       0.13195014
Cr       3.07329000      -1.41163000       3.25731000       2.51460795      -1.29635918      -0.70879015
Cr       4.35360000       0.29560000       1.07260000       0.05783253      -3.35779035      -0.22301020
Cr       2.67156000       1.48910000       3.29009000      -0.39073502      -0.77838248      -0.37164053
O        0.17927000       1.32606000       0.96241000      -0.65395211       0.76592094      -0.21393733
O       -1.77414000       2.96954000       3.47400000      -0.79913372       0.55597881      -0.09340412
O       -1.68143000       0.18306000       2.96255000       1.61221919       0.46347780       1.59739143
O        2.77848000       1.42123000       1.33126000       0.88874878      -0.86058599       0.19166838
O        2.33770000       4.22743000       1.21164000      -0.97393920       1.95856052       0.77699135
O        1.58763000      -0.31541000       3.16461000      -1.79741975       1.70941757      -0.87967488
O       -0.74340000       4.16579000       0.80129000       0.30187513       2.67438428       0.41938938
O        1.16587000       2.86482000       3.46611000       1.00796112      -1.32976120       1.09336516
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.75572203 magmom=20.0030703 free_energy=-108.75572203 stress="-0.018153751629128755 0.03525682407086589 -0.008874261142882357 0.03525682407086589 -0.003449710311738435 0.015098890700278032 -0.008874261142882357 0.015098890700278032 -0.11003359136021668" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11954000      -0.18271000       4.24074000      -0.42794688       0.59358676       0.85536514
Cr      -0.34097000       2.88889000       2.14153000      -0.86582774      -0.41662449       1.34641219
Cr       1.56612000      -0.16086000       1.16902000      -1.23207935       1.75127485      -2.32980861
Cr       3.03924000      -1.42112000       3.29448000       1.01733446       0.25504645       0.16726995
Cr       4.31537000       0.18958000       1.06013000       1.67276101      -2.18485645       1.55690505
Cr       2.71175000       1.48552000       3.29912000      -0.25816561       0.85206759      -0.82908567
O        0.14868000       1.40178000       1.01034000      -0.73895837      -0.59528174      -0.92720334
O       -1.91275000       3.19980000       3.55445000       0.46882350      -1.09204839      -1.08937292
O       -1.52702000       0.32025000       3.03676000      -0.91860054      -0.69135859      -0.06899734
O        2.96491000       1.50291000       1.27403000      -0.58229746      -0.91274670       0.60695752
O        2.34577000       4.28658000       1.28991000      -0.61817202       0.99958954       0.27142131
O        1.44853000      -0.13645000       3.04169000       1.50240803      -0.27396090       1.05855745
O       -0.56239000       4.24558000       0.82624000      -0.74349351       1.60617771       0.41663849
O        1.03120000       2.75457000       3.55796000       1.72421449       0.10913436      -1.03505922
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.53345586 magmom=20.0024462 free_energy=-109.53345586 stress="-0.07664533883204695 0.00689389862928151 0.002279129018982125 0.00689389862928151 -0.04634216838273814 -0.004278353560406666 0.002279129018982125 -0.004278353560406666 -0.053041560148073284" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03600000      -0.12507000       4.18202000       0.12065592      -0.16144952       2.65470482
Cr      -0.47214000       2.79013000       2.17167000       0.18958184       0.63581995       0.27293072
Cr       1.52602000      -0.08298000       1.13307000       0.10648827       3.32765925      -0.56756314
Cr       3.07230000      -1.42363000       3.32239000      -0.34051894       1.07844241      -0.03208346
Cr       4.35871000       0.00458000       1.11121000       1.03845498       0.45404561       0.15277992
Cr       2.73192000       1.51997000       3.27338000       0.28199234       0.22124501      -0.03686967
O       -0.03078000       1.42488000       0.94599000       1.03044761      -1.35110743      -0.97765974
O       -1.90984000       3.18046000       3.41582000      -0.07977691      -0.56090524       1.06395784
O       -1.51174000       0.28562000       3.14256000      -1.54609376      -0.19425776      -1.39940626
O        2.99362000       1.44310000       1.24604000      -0.45000220      -0.51702022       0.23690480
O        2.24607000       4.45727000       1.35725000       0.19215721      -1.34063479      -0.65786830
O        1.51214000      -0.00921000       3.09462000       1.44490563      -0.94957649      -0.34259366
O       -0.56244000       4.46477000       0.96343000      -1.93870039      -1.34350655      -0.46642218
O        1.17117000       2.70611000       3.46236000      -0.04959160       0.70124577       0.09918832
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.3837735 magmom=19.9990584 free_energy=-109.3837735 stress="-0.09168593600913441 -6.443370141579837e-05 0.016735122022072637 -6.443370141579837e-05 -0.07598751935302239 -0.005471142460949834 0.016735122022072637 -0.005471142460949834 -0.03715507213572743" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03378000      -0.07461000       4.25618000      -0.49283637       0.70263682       0.73654955
Cr      -0.54363000       2.74089000       2.19209000       1.86463432      -0.15945979      -1.05366936
Cr       1.48862000       0.10438000       1.07472000      -0.11784500      -2.12615857       0.84120408
Cr       3.08426000      -1.38134000       3.32276000      -0.39505132      -0.71978270      -1.58145169
Cr       4.42007000      -0.11742000       1.15648000      -2.13901127       2.01089387      -1.53823294
Cr       2.75151000       1.55401000       3.25084000      -0.47300271      -1.36386620       0.26654597
O       -0.05184000       1.32595000       0.86101000       0.62807274       0.67903752       1.33183064
O       -1.89004000       3.06299000       3.43907000      -0.69754216       1.23486945       1.31470878
O       -1.60747000       0.18281000       3.08859000       1.60827983       0.69679966       0.38965201
O        2.91905000       1.36242000       1.20866000       0.90072204       0.64599013       0.53431402
O        2.18845000       4.42197000       1.28267000      -0.12064288      -0.38801192      -0.34740359
O        1.68749000      -0.06519000       3.15755000      -1.56752681       0.02455373      -0.75152841
O       -0.76143000       4.41244000       1.03709000       1.96163000      -0.74775240      -0.89524445
O        1.24915000       2.78518000       3.36064000      -0.95988042      -0.48974959       0.75272538
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.22563997 magmom=19.9992114 free_energy=-109.22565559 stress="-0.03745965493494236 0.01658844208245234 0.015797288164997796 0.01658844208245234 -0.04467021595550673 -0.01394733562448448 0.015797288164997796 -0.01394733562448448 -0.05119955082045847" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62546000       2.90227000       0.02038000       0.11079803      -0.51397411      -1.03418072
Cr      -0.50731000       2.70603000       2.16915000      -0.25801526       1.17131290       1.74635566
Cr       1.45897000       0.17045000       1.07832000       0.33734875      -3.08119433       1.36195005
Cr       3.06277000      -1.37467000       3.24443000      -0.10868134      -0.86225691       0.49068939
Cr       4.38219000      -0.13217000       1.11278000       0.40260597       0.95024080      -0.90522177
Cr       2.74411000       1.50939000       3.24888000      -0.08028164      -0.81058673       1.03136845
O       -0.00760000       1.36752000       1.00433000      -0.32244136      -0.82704664      -1.93561100
O       -1.94136000       3.10548000       3.56278000       0.19588810       0.10841203      -1.93623736
O       -1.41752000       0.13805000       3.11096000      -1.45494541       0.49004060      -0.69337889
O        2.95514000       1.41119000       1.22225000       0.58240570      -0.48090032       1.04506921
O        2.16171000       4.32507000       1.13792000      -0.27708020       2.12431635       2.19336205
O        1.56563000      -0.12956000       3.11096000       0.55946563       0.47528147      -0.98108172
O       -0.68370000       4.24151000       0.96937000      -0.34259320       1.91866105      -1.12712123
O        1.14266000       2.79579000       3.38461000       0.65552624      -0.66230617       0.74403790
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.70826716 magmom=20.0071813 free_energy=-108.70826724 stress="-0.013061834711800085 0.022130156950047043 0.018427350528469277 0.022130156950047043 -0.016628801359426255 -0.009952150701112017 0.018427350528469277 -0.009952150701112017 -0.12295469795435927" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.68734000       3.01785000       0.13190000      -0.74707712      -0.80076313      -1.32767173
Cr      -0.43950000       2.74421000       2.21830000      -0.51268063       0.28960348      -0.83455297
Cr       1.43082000       0.05549000       1.13807000      -0.51510453       0.67781862      -3.36648471
Cr       3.02025000      -1.43318000       3.16364000       0.92125975       0.20655763       2.52374353
Cr       4.34227000      -0.06786000       0.99580000       1.51754105       1.80624718       2.86100261
Cr       2.73099000       1.38977000       3.30314000       1.34165524       0.93398199      -2.17013550
O       -0.03877000       1.35272000       0.93313000       0.34931722      -0.59474230      -1.38969343
O       -1.93879000       3.14967000       3.35800000      -0.76587130      -0.56814370       1.40886800
O       -1.34836000       0.16173000       3.10253000      -2.09233245      -0.14422647      -0.33629481
O        3.06680000       1.48252000       1.35600000      -1.05407996      -1.00777394      -0.75247187
O        2.14473000       4.49568000       1.27137000      -0.09831103      -0.77347150      -0.24168438
O        1.41044000      -0.10705000       2.96913000       1.41981103      -0.70120177       2.36476728
O       -0.59036000       4.28974000       0.77014000      -1.05459510       0.56344385       2.73127445
O        1.04983000       2.67389000       3.49295000       1.29046782       0.11267006      -1.47066646
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.5151159 magmom=19.999633 free_energy=-108.5151159 stress="-0.09145727111960615 0.013579501677621784 0.005270127700268088 0.013579501677621784 -0.07029689199544212 -0.01289763886311229 0.005270127700268088 -0.01289763886311229 -0.07636473516191256" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71665000       3.10844000       0.18023000      -0.65950058      -0.54635060      -0.80271445
Cr      -0.38475000       2.82991000       2.25129000      -0.20664589       0.13992067      -2.18578475
Cr       1.36744000      -0.06518000       1.06157000       1.86488312       2.64604543       0.10184589
Cr       3.02180000      -1.50345000       3.20530000       0.62755590       0.62088034      -1.05381040
Cr       4.36280000       0.11255000       0.99302000      -1.27272886      -1.79551606       1.64458332
Cr       2.78556000       1.28784000       3.28390000      -1.67956495       2.79926015      -0.17424668
O       -0.02592000       1.26743000       0.66338000       0.66940894       1.69347352       3.23865704
O       -1.97967000       3.02623000       3.25692000      -0.03846498      -0.61155933       1.90182662
O       -1.59806000       0.14929000       3.10358000       2.03314814      -1.11494279       0.01511413
O        2.95514000       1.44977000       1.31614000      -1.03609922      -0.47904775      -0.88472608
O        2.17941000       4.57040000       1.34243000      -0.30037304      -1.00468992      -1.41251711
O        1.48344000      -0.16395000       3.16802000       0.41901243      -1.03022067      -1.08633817
O       -0.69163000       4.43483000       0.95196000      -1.40786386      -1.59685432      -0.37437442
O        1.11654000       2.55744000       3.37130000       0.98723285       0.27960131       1.07248504
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.40361153 magmom=20.0030742 free_energy=-108.40361156 stress="-0.07516334300263933 0.016714646994804034 0.014344677747528395 0.016714646994804034 -0.0824942318306983 -0.022008332266384798 0.014344677747528395 -0.022008332266384798 -0.023568644074424883" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.71933000       3.12596000       0.15506000       0.85119524      -2.04213034      -2.47010961
Cr      -0.34813000       2.90981000       2.19873000       0.54677498      -0.37071393       0.48801355
Cr       1.37406000      -0.06160000       0.97802000      -0.20639181       0.10966736       2.01665555
Cr       3.07278000      -1.53834000       3.23221000       0.81946463      -0.13780777      -0.42311695
Cr       4.33254000       0.20753000       1.09359000      -0.58992052      -2.63694576      -0.01616111
Cr       2.76774000       1.30604000       3.23005000      -1.84910616      -0.83232919       0.36744819
O        0.03239000       1.42320000       0.88110000      -0.55292913      -0.59293262      -0.26436508
O       -1.94883000       2.82211000       3.40905000       0.56727847       1.39183770      -0.19330105
O       -1.58009000       0.00591000       3.12384000       0.82694849       1.18582923      -0.50073021
O        2.68312000       1.36251000       1.10406000       1.31869473      -0.03599638       1.40748373
O        2.16551000       4.48345000       1.18632000      -1.14872996       1.76180147       2.23102561
O        1.60794000      -0.32142000       3.29934000      -0.54481910       0.54385985      -1.63975288
O       -0.93288000       4.37990000       1.15158000       0.61434878       1.18954295      -2.22482432
O        1.25348000       2.55318000       3.30336000      -0.65280864       0.46631744       1.22173458
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.88436323 magmom=20.0069076 free_energy=-108.88436348 stress="-0.04352774281850263 0.014234254509726024 0.013636013792968213 0.014234254509726024 -0.05058404130222096 -0.00393636494137014 0.013636013792968213 -0.00393636494137014 -0.036994688151425065" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.73983000       3.04164000       0.03439000      -0.65631390       0.88308220       0.33629638
Cr      -0.30367000       2.96828000       2.17556000       0.29112923       1.02336350       0.89781568
Cr       1.37386000      -0.03598000       1.01022000      -1.26526528       0.05838023       1.60592629
Cr       3.15225000      -1.55313000       3.22493000       0.16822784       0.52779411       0.83383524
Cr       4.28011000       0.14690000       1.17726000       0.41127743      -1.27499062      -1.54113478
Cr       2.66536000       1.31424000       3.20861000       0.67269083       0.72853048       1.11607381
O       -0.03620000       1.45410000       1.08988000       0.09734800      -1.88515718      -2.48611471
O       -1.83148000       2.84928000       3.45279000      -1.50903516       0.52494537      -0.44990379
O       -1.41718000       0.03523000       3.10639000      -1.57538048       0.53782795       0.25702029
O        2.69370000       1.35882000       1.11852000       1.19516571       0.17299430       1.66373385
O        2.07301000       4.49966000       1.26917000       1.26096235      -1.45946953      -0.37175013
O        1.59125000      -0.33116000       3.18090000       0.02415447       0.31538438      -1.06606706
O       -0.97174000       4.39693000       1.02922000       1.01728419       0.02377912      -1.36001652
O        1.21359000       2.66515000       3.39599000      -0.13224521      -0.17646430       0.56428546
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.25295344 magmom=20.0031544 free_energy=-109.25295344 stress="-0.035168719333743007 0.010581089013479133 0.00240183544688009 0.010581089013479133 -0.02856153099846806 0.007040812400799702 0.00240183544688009 0.007040812400799702 -0.0948993868316968" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17174000       0.08951000       4.28568000      -0.91432865      -0.22296791       1.15962874
Cr      -0.25237000       3.04752000       2.19180000      -0.49424422      -0.21102434      -0.78043461
Cr       1.33325000      -0.01593000       1.11346000       1.63971333      -0.17263338      -2.46885845
Cr       3.22577000      -1.53751000       3.25813000      -2.27936702       1.09581958       0.44022383
Cr       4.25724000       0.00821000       1.17693000       0.64079455      -0.15214052      -1.27008600
Cr       2.60132000       1.36220000       3.24871000       1.81181974       1.54737695      -0.12521957
O       -0.12326000       1.27835000       0.95289000       0.96094620       1.15907019      -0.13781999
O       -1.90130000       2.99906000       3.38309000       0.21998914      -0.69359094       0.87263018
O       -1.49217000       0.16219000       3.15592000      -0.95966678      -0.58433425      -0.18258919
O        2.91498000       1.42824000       1.35283000      -1.08966824      -0.70961026      -1.31501621
O        2.18677000       4.28058000       1.26430000      -0.68168726       1.00737880       0.68054617
O        1.50497000      -0.22423000       2.95894000       0.63451763      -0.84537452       1.17728016
O       -0.77758000       4.36764000       0.77805000      -0.49591473      -0.28780085       1.87909837
O        1.08838000       2.78047000       3.51892000       1.00709632      -0.93016855       0.07061658
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.27805257 magmom=20.0057768 free_energy=-109.27805257 stress="-0.037049494824334915 0.006586979776755459 -0.004664950394962099 0.006586979776755459 -0.03437060818706961 0.017220810771925603 -0.004664950394962099 0.017220810771925603 -0.10217021711892403" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08461000       0.01874000       4.25605000      -1.09572056      -0.31971421       1.35781654
Cr      -0.23300000       3.09294000       2.18741000       0.12540805      -2.18692032       1.03310351
Cr       1.38023000      -0.00469000       1.08749000       1.75776059       0.03867193      -0.61570158
Cr       3.17112000      -1.46898000       3.30952000      -2.19127294      -0.17123289      -0.57442542
Cr       4.27875000      -0.10703000       1.10724000       0.73151656       1.42602729       0.91397389
Cr       2.63953000       1.47988000       3.27990000       0.89898747      -1.17238156      -1.00422110
O       -0.06018000       1.30708000       0.85083000      -0.13171942       0.31723091       1.94541113
O       -1.91272000       3.03081000       3.42051000       0.39726667      -0.33432397       0.16935896
O       -1.66158000       0.14894000       3.19197000       1.17529417       0.37829127      -0.82005604
O        2.92524000       1.37460000       1.31662000      -0.81999198      -0.50449839      -0.87649662
O        2.23928000       4.20324000       1.30355000      -1.02535437       1.25662694       0.39233138
O        1.48186000      -0.20590000       3.01181000       1.12918523      -0.23115493      -0.22693737
O       -0.64608000       4.28730000       0.87443000      -1.86679797       2.19976289      -1.25432484
O        1.08598000       2.74145000       3.54829000       0.91543850      -0.69638496      -0.43983245
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.07344118 magmom=19.9987598 free_energy=-109.07344146 stress="-0.08817495091112992 0.01321086042900271 -0.01669315717929118 0.01321086042900271 -0.06611409758126963 0.010018896875417444 -0.01669315717929118 0.010018896875417444 -0.03106449438461311" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07208000      -0.08075000       4.30625000       0.16300463       0.67849122       0.11635214
Cr      -0.22219000       3.02785000       2.21375000      -0.41273955       0.04932445      -0.55439250
Cr       1.51652000       0.00886000       1.00835000      -2.95562890      -1.35209473       1.92720330
Cr       2.99032000      -1.39227000       3.35622000       1.59765374      -1.04760066       0.30896873
Cr       4.33979000      -0.13556000       1.07040000      -0.72997160       2.35430377       1.07213417
Cr       2.75063000       1.53479000       3.24303000      -0.00133659      -2.76450002      -0.57203686
O        0.00341000       1.43623000       1.05120000      -0.19100075      -1.24232568      -1.47626687
O       -1.82431000       2.99328000       3.45349000      -0.79751377       0.96987426      -0.56969649
O       -1.61128000       0.13763000       3.10229000      -0.22484758       0.49123107      -0.72782074
O        2.80127000       1.26520000       1.06360000       2.96072374       1.26273008       2.09677264
O        2.14730000       4.32012000       1.34400000      -0.03031208      -0.28122942      -0.50957042
O        1.55585000      -0.19039000       3.18870000      -0.60930060       0.99802399      -1.01795256
O       -0.76484000       4.46473000       0.96399000       1.51368571      -1.29036016      -0.69347522
O        1.20373000       2.61655000       3.44689000      -0.28241640       1.17413182       0.59978068
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.13160042 magmom=20.0061568 free_energy=-109.13160373 stress="-0.05777903732222529 0.024242630772258987 -0.02642665644369388 0.024242630772258987 -0.061330699670886134 0.011300512711862935 -0.02642665644369388 0.011300512711862935 -0.026322334680518637" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.32542000       2.73459000       0.00632000       0.75006746       0.54070839      -0.32055093
Cr      -0.23746000       2.93691000       2.21908000      -0.77303286       0.64628842      -0.51964311
Cr       1.52306000      -0.01472000       1.02545000      -1.31289328       1.08682378       0.76308890
Cr       2.88772000      -1.36853000       3.40354000       2.59638593       0.02894741      -1.45412815
Cr       4.37617000      -0.04780000       1.09058000       0.83596119      -0.88281562      -0.82060452
Cr       2.85389000       1.45234000       3.17295000      -1.40874166       1.27501954       0.79159037
O        0.01385000       1.40740000       1.05696000       0.45392323      -0.84275878      -1.78546395
O       -1.83323000       3.08846000       3.37348000      -0.77868506       0.40408238       0.94444760
O       -1.52023000       0.17844000       2.98117000      -0.81325906      -0.41837797       1.21907500
O        3.03011000       1.34361000       1.12723000      -0.86968471      -0.14590673       1.31383116
O        2.09545000       4.37724000       1.24465000       1.08682590      -0.28676210       0.61425925
O        1.50715000      -0.01619000       3.22415000       0.14344498      -0.50362838      -1.12930331
O       -0.65697000       4.44701000       0.95470000      -0.02226569      -0.45869203      -0.85618068
O        1.26033000       2.71676000       3.39793000       0.11195363      -0.44292832       1.23958237
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.71027009 magmom=20.0014929 free_energy=-108.71027009 stress="-0.04318871387316152 -0.008376546584045623 -0.023855205165155786 -0.008376546584045623 -0.03864316867829807 0.02046984822036919 -0.023855205165155786 0.02046984822036919 -0.08751244247340849" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.24423000       2.70863000       0.05449000       2.10884827      -0.16212131       1.05288365
Cr      -0.29829000       2.87368000       2.19547000      -0.36694972      -0.47949534       0.17401089
Cr       1.45070000      -0.00954000       1.09337000       1.89780848      -0.17664440      -0.60040135
Cr       2.93666000      -1.34710000       3.35323000       1.37870375      -0.26911985      -2.75193569
Cr       4.44054000       0.00166000       1.08411000      -0.50960516      -1.86060118       0.17416440
Cr       2.87577000       1.42845000       3.16370000      -1.74719395       2.37349024       3.12818578
O        0.05200000       1.31524000       0.84396000      -0.08645004       1.42435131       1.95194215
O       -1.89201000       3.21154000       3.37649000       0.35820831      -0.45582975       0.61025856
O       -1.54768000       0.11600000       3.09259000      -0.86516883       0.45889795      -1.44265435
O        3.11279000       1.48023000       1.34534000      -0.73140492      -0.74749417      -2.35800628
O        2.24039000       4.38434000       1.18050000      -0.28434112       0.98721681       1.07880238
O        1.43426000       0.07489000       3.08017000       0.67153857      -1.34208316      -0.12725307
O       -0.47818000       4.27350000       0.85518000      -1.52557298       1.22214030      -0.55100838
O        1.23229000       2.80723000       3.50008000      -0.29842068      -0.97270745      -0.33898867
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.72311674 magmom=20.0003791 free_energy=-108.72311674 stress="-0.03129269461251148 0.002324027739301787 -0.00853726320957685 0.002324027739301787 -0.04126097927767241 0.020404315919724598 -0.00853726320957685 0.020404315919724598 -0.12682151641842257" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.27601000       2.71274000       0.14540000      -0.35256162       1.82976778      -2.33244580
Cr      -0.40083000       2.79692000       2.17366000      -0.13492167       0.52378234       0.63010177
Cr       1.46484000      -0.00343000       1.12662000       1.40310512       1.12012357      -2.12061413
Cr       3.07895000      -1.35650000       3.14411000      -1.31952189      -1.56010271       2.68360439
Cr       4.50044000      -0.05049000       1.06954000      -0.55161641       1.72216341       0.31985775
Cr       2.78561000       1.54341000       3.29797000      -1.03579198      -0.90331160      -2.99461892
O        0.05270000       1.45305000       0.91926000       0.41550285      -1.54166053      -1.09341750
O       -1.83897000       3.20279000       3.45452000      -0.55116653      -0.21082018       0.13721149
O       -1.63144000       0.14046000       3.11845000       1.37845560       1.78539167      -0.75627272
O        2.96140000       1.50087000       1.26364000       1.32010561      -2.83732929       2.36242271
O        2.37147000       4.47874000       1.25520000      -1.48085252      -1.19909680      -1.11266677
O        1.49167000      -0.09542000       2.95086000       0.32341144      -0.01906722       2.55352326
O       -0.54965000       4.26802000       0.76705000      -0.74779369       1.07537525       2.55649657
O        1.11651000       2.75720000       3.50329000       1.33364569       0.21478430      -0.83318210
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.68150058 magmom=20.0052767 free_energy=-108.68150058 stress="-0.06233092432102478 0.03463924006224021 0.0027876781698199155 0.03463924006224021 -0.05473290274090611 -0.012038008768577335 0.0027876781698199155 -0.012038008768577335 -0.0423788986672998" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.33410000       2.78084000       0.15183000       0.55801274      -1.52286844      -1.85640250
Cr      -0.50648000       2.74444000       2.18159000       0.50953797      -0.04165563      -0.40350606
Cr       1.55275000       0.04046000       1.08675000      -1.87935628      -1.64022603       1.17801472
Cr       3.16915000      -1.43027000       3.05653000      -0.79647112       1.13116826       3.15984508
Cr       4.50397000      -0.02526000       1.07028000      -2.05890855       2.42536930       0.07837550
Cr       2.64147000       1.59391000       3.32779000       1.67266807      -4.10329038      -0.42199005
O        0.07992000       1.43059000       0.92197000       0.45754217      -0.94980539      -1.45977145
O       -1.82402000       3.11009000       3.49271000      -1.08695774       0.50044945       0.08637045
O       -1.48764000       0.38978000       3.06394000       0.03271234      -1.12055591       0.31662282
O        2.90513000       1.25697000       1.34676000       1.12525270       2.50179539      -0.37844778
O        2.27747000       4.38899000       1.14859000       0.04367953       1.19503184       0.46966538
O        1.61831000      -0.26553000       3.15992000      -0.30663032       1.46735323      -0.53369775
O       -0.72641000       4.43149000       1.03695000       1.41175660      -0.50778524      -1.17140575
O        1.16369000       2.76354000       3.32963000       0.31716190       0.66501955       0.93632740
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.09006024 magmom=20.0015924 free_energy=-109.09006024 stress="-0.05991199902921465 0.026144261529096956 -0.004354745294258634 0.026144261529096956 -0.06407733571766772 -0.005468811669230919 -0.004354745294258634 -0.005468811669230919 -0.014455381391369758" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.41825000       2.78692000       0.05895000       1.12631192      -0.49584578      -0.02787853
Cr      -0.55659000       2.70793000       2.17871000       0.76185798      -0.48468239      -0.84551656
Cr       1.54918000       0.01274000       1.10205000      -1.28692141      -0.44960244       0.06459251
Cr       3.18670000      -1.43568000       3.15652000      -0.24461873       0.75337715       0.28241878
Cr       4.42188000       0.10478000       1.07491000       0.33792114      -0.90563932      -0.49246278
Cr       2.60354000       1.43394000       3.31534000       2.57240334       1.62406401       1.14091830
O        0.11532000       1.32949000       0.77988000      -0.50010558       1.67546242       1.03215051
O       -1.91731000       3.05307000       3.45951000       0.14604494      -0.14285840       0.30552551
O       -1.33177000       0.40844000       3.09186000      -2.17153500      -0.40139162      -1.61036831
O        2.95919000       1.42102000       1.33763000      -0.18526164      -0.21610532       0.12725548
O        2.19969000       4.42829000       1.09136000       1.05477013       0.86649674       1.71641272
O        1.66790000      -0.16509000       3.26967000      -0.99621461      -0.72799450      -1.26037122
O       -0.68489000       4.48824000       1.13432000      -0.15534309      -0.32995334      -1.42236739
O        1.23233000       2.84627000       3.29822000      -0.45930939      -0.76532722       0.98969097
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.22964763 magmom=20.0011541 free_energy=-109.22964763 stress="-0.047253853212635775 0.003316503917868179 0.013794215065355673 0.003316503917868179 -0.04393984727154995 -0.013708690493207326 0.013794215065355673 -0.013708690493207326 -0.07843740955803616" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00053000      -0.09438000       4.30010000      -1.49348446       1.61489615       0.26491276
Cr      -0.55258000       2.67135000       2.14503000       0.26548976       1.62733649       1.35858814
Cr       1.46257000      -0.04456000       1.12062000       0.57181517       1.41537380      -0.05316650
Cr       3.17245000      -1.40585000       3.27443000      -0.50928039      -0.39053984      -1.27758585
Cr       4.35617000       0.18898000       1.04969000       0.51609901      -1.55692827      -0.55567200
Cr       2.70580000       1.35815000       3.35897000      -0.05531810       2.76491298      -0.47555578
O        0.04839000       1.50024000       0.85824000       1.22371405      -1.83519855      -1.01347484
O       -1.93309000       2.97759000       3.42877000      -0.21977889       0.80814209       1.55407122
O       -1.44901000       0.27324000       2.99767000      -0.24753824      -0.21668587       0.87679273
O        2.97683000       1.59674000       1.30146000      -0.03446652      -2.18559965       1.14912344
O        2.30331000       4.57414000       1.30661000      -0.52464239      -1.19964241      -0.74309821
O        1.52406000      -0.14966000       3.15764000       1.13089467      -0.43863362      -1.03886057
O       -0.63712000       4.40903000       0.97847000      -0.81734016      -0.14445053      -0.08727518
O        1.19139000       2.80190000       3.42016000       0.19383649      -0.26298278       0.04120063
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.0195409 magmom=20.0031524 free_energy=-109.0195409 stress="-0.03268890681593448 0.008918865919329735 0.020460554538382643 0.008918865919329735 -0.024911461084777802 -0.00643633465631956 0.020460554538382643 -0.00643633465631956 -0.12649543502813296" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06676000      -0.00978000       4.21693000      -0.83371347       0.68101000       1.97253567
Cr      -0.51859000       2.73183000       2.17812000       0.72681401       0.62584980       0.67347966
Cr       1.40723000      -0.03995000       1.13209000       1.67487778       0.25180384      -0.60909932
Cr       3.12623000      -1.40511000       3.30947000      -0.75381309      -1.19046990      -1.39332159
Cr       4.31688000       0.16193000       1.01224000       0.46415953      -2.26383089       1.80312479
Cr       2.80783000       1.45247000       3.37010000      -1.88015821      -0.61767984      -2.29892413
O        0.09417000       1.43192000       0.88946000      -0.64837685      -0.50203142       0.26054645
O       -1.89450000       3.02914000       3.56197000       0.06469666       0.50418660      -0.82872533
O       -1.56035000       0.10556000       3.07861000       1.00907009       1.59473927      -0.08738690
O        2.93703000       1.46945000       1.32707000      -0.35244001       0.13095002      -0.27631191
O        2.32587000       4.48096000       1.35582000      -1.04706828      -0.82017734      -1.47684543
O        1.47963000      -0.22860000       2.95816000       1.24463082       0.33439490       2.25170094
O       -0.70391000       4.27442000       0.86912000      -0.14433018       0.97159915       1.34382855
O        1.14735000       2.71291000       3.50591000       0.47565120       0.29965582      -1.33460146
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.18512015 magmom=20.0050484 free_energy=-109.18512017 stress="-0.06379537431332864 0.023988812107874194 0.015391066989660071 0.023988812107874194 -0.034357942517294786 -0.010342176240049152 0.015391066989660071 -0.010342176240049152 -0.040549902187163415" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09485000       0.12762000       4.23674000       0.99038660      -1.77687680       0.07215045
Cr      -0.42897000       2.85948000       2.26277000       0.85318837      -0.84091326      -1.45398749
Cr       1.44884000      -0.02330000       1.13198000      -0.44270092      -0.87077833      -0.02418237
Cr       3.04747000      -1.46694000       3.25650000       1.38844337       0.13088451       0.43409554
Cr       4.29272000      -0.01603000       1.06120000       0.66412623      -0.98458269       0.59222286
Cr       2.81468000       1.53563000       3.26181000      -0.71444492      -2.09959344       0.36739679
O       -0.02736000       1.24840000       0.96303000      -0.59675095       1.16190363      -0.11695462
O       -1.82667000       3.14093000       3.52160000      -1.41110713      -0.54917385       0.06154774
O       -1.49962000       0.14399000       3.22000000      -1.70758988       0.12219480      -2.06801879
O        2.82542000       1.33067000       1.25049000       0.94661364       0.64384514       0.23196988
O        2.14586000       4.22697000       1.13299000      -0.59690874       3.15628902       2.93141944
O        1.62120000      -0.19983000       3.11410000       0.06521683       0.52733176      -0.82647656
O       -0.78293000       4.27877000       0.98976000      -0.09250612       1.57283821      -1.24800841
O        1.16380000       2.69946000       3.38001000       0.65403364      -0.19336869       1.04682555
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.7457763 magmom=20.0016563 free_energy=-108.7457763 stress="-0.10282029396218738 0.02363900506243113 0.006786032300590664 0.02363900506243113 -0.07601471805223836 -0.004917814620254382 0.006786032300590664 -0.004917814620254382 -0.007538998555582968" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13275000       0.18172000       4.27855000      -1.01925760      -0.86187564       0.52903769
Cr      -0.31120000       2.94648000       2.26684000      -0.46830762      -0.06930948      -1.62108278
Cr       1.45942000      -0.02650000       1.12349000      -2.95444121       1.97609319      -0.39753431
Cr       3.03470000      -1.50910000       3.23563000       0.46929060       1.69304076       2.23030752
Cr       4.30179000      -0.20550000       1.14397000      -0.53971366       3.85135813      -0.65491471
Cr       2.78454000       1.50523000       3.16486000       0.25677136      -0.88251716       0.73376072
O       -0.24454000       1.29052000       1.05391000       1.72885867      -0.16580570      -1.33517719
O       -1.92028000       3.10515000       3.39323000      -0.09180604      -0.29456003       0.95983494
O       -1.57362000       0.19089000       3.10794000       0.27881414      -1.10575818      -0.00052550
O        2.84663000       1.31961000       1.17516000       0.25232377       0.31251815       0.24623587
O        1.96636000       4.34915000       1.23737000       1.63304386      -1.17810735       0.48811753
O        1.68759000      -0.08768000       3.22838000      -0.67503018      -0.96695458      -1.91535907
O       -0.79297000       4.42842000       1.00326000       1.34928236      -1.58067306      -0.74458661
O        1.22023000       2.67666000       3.36509000      -0.21982844      -0.72744905       1.48188590
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.59911076 magmom=20.0027253 free_energy=-109.59911076 stress="-0.04650372742475609 -0.008480701012361197 -0.006613037565552274 -0.008480701012361197 -0.04492246094819561 -0.0028152272798412314 -0.006613037565552274 -0.0028152272798412314 -0.06572700309870856" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11464000       0.15835000       4.33349000      -0.56414384       0.10063413       0.52429179
Cr      -0.22456000       3.00289000       2.18219000       0.13968571      -0.91571091       1.08842944
Cr       1.32908000       0.06016000       1.08821000       1.78278526      -0.37198591      -0.58348419
Cr       3.04816000      -1.46411000       3.34897000      -0.86070196      -0.62025698       0.10142024
Cr       4.31410000      -0.18536000       1.17486000       0.52606854       1.77802902      -1.96923385
Cr       2.76958000       1.41359000       3.11719000      -0.32647416       0.31905891       1.57144061
O       -0.14213000       1.37056000       0.95972000       0.38465233      -0.49704522       0.13657325
O       -1.98759000       2.99160000       3.38448000       0.84066982       0.72987470       0.43658733
O       -1.58054000       0.05061000       3.04775000       0.49943575       0.68941534       1.37604908
O        2.89081000       1.38555000       1.14205000      -0.36382426      -0.75167617       0.37445375
O        2.08446000       4.36719000       1.40386000      -0.17797068      -0.66982952      -1.24489243
O        1.53807000      -0.11623000       3.05975000      -0.09457913      -0.68054916      -0.10711715
O       -0.62449000       4.33338000       0.92581000      -1.55239698       0.71350013      -1.31707760
O        1.17657000       2.58724000       3.53837000      -0.23320639       0.17654165      -0.38744027
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.42813401 magmom=20.0020685 free_energy=-108.42813437 stress="-0.015266108631510998 0.020922211986380272 -0.009929956169286778 0.020922211986380272 -0.023046049000242663 0.001333850889006806 -0.009929956169286778 0.001333850889006806 -0.10998919340241568" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.60866000       3.00007000       0.05512000       0.84294855      -0.77122422      -1.38078511
Cr      -0.14356000       3.01636000       2.13252000      -0.78356678       0.87134912       0.69395629
Cr       1.28846000       0.12313000       1.01644000       3.31177863      -3.21515382      -0.09796961
Cr       3.02304000      -1.43953000       3.45019000       0.00789333      -0.98115405      -3.99121442
Cr       4.34034000      -0.05632000       1.11822000      -0.60332010      -0.98003911       1.10991847
Cr       2.74550000       1.34155000       3.15574000      -0.24452224       0.92768157       0.68132939
O        0.00880000       1.44989000       0.94641000      -1.80008285      -0.12649019       1.03058687
O       -1.90126000       2.96645000       3.41996000      -0.69993048       0.39185908      -0.44334535
O       -1.49538000       0.00316000       3.19893000      -1.24685826       1.11883566      -1.27326449
O        2.84466000       1.36474000       1.17286000       0.48232416      -0.85522987       0.59294916
O        2.27802000       4.23511000       1.35861000      -1.23415828       2.25709491       1.96619021
O        1.31365000      -0.25588000       2.92658000       1.48307043      -0.10503069       0.99951257
O       -0.63825000       4.25707000       0.72690000      -0.85254252       1.02734321       0.91355230
O        1.05192000       2.57176000       3.57654000       1.33696640       0.44015839      -0.80141629
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.05867474 magmom=20.0035289 free_energy=-109.05867475 stress="-0.03495005459013623 0.012458093353049633 -0.01283761519359202 0.012458093353049633 -0.028965595357912242 0.012180499563310068 -0.01283761519359202 0.012180499563310068 -0.06863091023953108" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.57553000       2.91269000       0.08676000       0.04070078       0.11004755       0.05650480
Cr      -0.11935000       3.07374000       2.12513000      -1.68933746       1.56308201      -0.29927769
Cr       1.43610000       0.01103000       0.93745000      -1.00233833      -1.10602794       1.86037573
Cr       3.00649000      -1.46710000       3.33588000       1.15196562       0.27003518       0.54712634
Cr       4.33489000       0.03573000       1.10523000       0.31738021      -1.25889789       1.05540207
Cr       2.71068000       1.33138000       3.24544000      -0.79418993       1.27860629      -0.44707691
O       -0.14028000       1.46989000       1.09953000       0.94605012      -1.85626463      -2.20250614
O       -1.89032000       3.00833000       3.36131000      -0.83483833       0.01968809       0.19039415
O       -1.55743000       0.17045000       3.21754000      -0.41531745      -0.67030063      -0.69363711
O        2.83849000       1.25642000       1.28170000       0.21261777       1.01984857      -0.35305965
O        2.30924000       4.34189000       1.44368000      -1.18908849       0.24591340      -1.80823410
O        1.30006000      -0.40058000       3.02995000       1.29299047       0.46445133      -0.56075091
O       -0.79629000       4.34228000       0.77248000       0.42450963       0.66365403       0.89142764
O        1.13252000       2.68888000       3.42061000       1.53889539      -0.74383538       1.76331179
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.41693425 magmom=20.002343 free_energy=-108.41693425 stress="-0.10620673569374307 0.040168187922917924 -0.017879876424420738 0.040168187922917924 -0.10482297156860373 0.033352082795539945 -0.017879876424420738 0.033352082795539945 -0.016319179733720404" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53657000       2.80488000       0.09965000      -0.54207165       0.58654034      -1.06086993
Cr      -0.18564000       3.18468000       2.12541000       0.59281679      -2.48835040       1.64413560
Cr       1.55886000      -0.16080000       0.94081000      -4.11838261       3.88318548       0.88343755
Cr       3.06894000      -1.48000000       3.21058000       1.12960987       0.81566899       2.01830495
Cr       4.32893000       0.06756000       1.15717000       0.05065936       0.09617865      -0.26329620
Cr       2.64211000       1.39738000       3.31925000       0.24002929      -0.46785283      -0.59741611
O       -0.14684000       1.32599000       0.96749000       1.96911331       1.51828381      -0.61525765
O       -1.96702000       3.04207000       3.31636000       0.99977978      -0.81366893       0.70443870
O       -1.65037000       0.22087000       3.14728000       0.97198150      -0.94640505       0.31427045
O        2.83417000       1.32382000       1.31061000      -0.30778103      -0.28660543       0.19475543
O        2.17664000       4.44039000       1.23049000       1.51287867      -2.41698597      -0.00263215
O        1.45162000      -0.43281000       3.15516000      -0.10144003       1.30433803      -0.96920932
O       -0.84684000       4.49924000       1.03221000       0.57790705      -0.17147159      -2.51204864
O        1.32704000       2.73023000       3.41203000      -2.97510031      -0.61285509       0.26138730
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.70598226 magmom=20.0043105 free_energy=-108.70616183 stress="-0.04828345433687157 0.001304478084917016 -0.02217933883110623 0.001304478084917016 -0.07018623196102501 0.020566912837329053 -0.02217933883110623 0.020566912837329053 -0.05375172728272531" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.47925000       2.72330000       0.04485000       0.27212181      -1.17281153      -2.05100451
Cr      -0.24835000       3.16231000       2.19574000      -0.43104966      -1.30223490      -0.52130874
Cr       1.48951000      -0.13464000       1.00166000       0.67659628       2.42703404       0.66393190
Cr       3.17380000      -1.46675000       3.21326000      -1.46295834      -1.09332543       0.00481228
Cr       4.34548000       0.10575000       1.18850000       0.42848847       0.11293144      -2.03776291
Cr       2.58805000       1.44144000       3.34344000       0.70342353      -0.75598586      -1.44876848
O        0.10312000       1.42237000       0.78254000      -0.84552041      -0.23807308       1.41906570
O       -1.87191000       2.96017000       3.36407000      -0.40464138       0.05631218       0.12763350
O       -1.55602000       0.09314000       3.13008000      -0.06371134       1.28044134      -0.48853678
O        2.79027000       1.36692000       1.31709000       1.00587589      -1.31500101       1.04333007
O        2.22817000       4.24472000       0.99765000      -0.72371902       3.12768054       3.50673050
O        1.55714000      -0.23012000       3.15923000       0.05733337      -0.52104757      -1.05514018
O       -0.75073000       4.53252000       0.94453000      -1.01581229      -0.93948626      -0.39235491
O        1.07491000       2.70250000       3.43913000       1.80357308       0.33356611       1.22937257
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.2013825 magmom=19.9999439 free_energy=-109.20138255 stress="-0.03556840802079941 -0.00010395770218943393 -0.019262619426184055 -0.00010395770218943393 -0.025274231401392323 0.016210501703009247 -0.019262619426184055 0.016210501703009247 -0.09568555030683919" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.10169000      -0.25297000       4.28063000       1.02406530       0.52728585       1.60867893
Cr      -0.32277000       3.05522000       2.24609000       0.56340016      -0.33088569      -1.29321893
Cr       1.42771000       0.01809000       1.08687000       1.27864644      -1.76579170      -0.18247679
Cr       3.20317000      -1.49328000       3.23624000      -1.06410848       0.73725952      -0.69285228
Cr       4.38907000       0.14121000       1.11957000       0.10776790      -2.06729330       0.00146425
Cr       2.58767000       1.44169000       3.28841000       1.61133848       0.23448222       0.23666059
O        0.17137000       1.51590000       0.85542000      -0.89575342      -0.33294647       0.40798006
O       -1.82198000       2.90282000       3.41879000      -1.64135149       0.96794011       0.81689101
O       -1.45749000       0.11872000       3.05791000      -1.39788724       0.62042370      -0.57700982
O        2.88174000       1.28124000       1.36778000      -0.06965695       1.54549088      -1.11067292
O        2.24600000       4.33550000       1.25260000      -0.19991567       0.41973319       0.08317362
O        1.56445000      -0.11713000       3.06037000      -0.83090870      -1.43295648       0.50085426
O       -0.74104000       4.39506000       0.84607000      -0.16173991       0.84386895       0.97534147
O        1.05750000       2.78333000       3.56091000       1.67610358       0.03338921      -0.77481345
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.94485273 magmom=20.0038963 free_energy=-108.94485273 stress="-0.050457329872679174 0.012388324203663228 -0.009865602178184026 0.012388324203663228 -0.0468466080865184 0.01356485090211098 -0.009865602178184026 0.01356485090211098 -0.10349537262452607" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09637000      -0.29523000       4.22398000      -1.31556541       2.10809284       0.26887827
Cr      -0.37644000       2.93345000       2.23705000       0.04613338       0.39646455       0.91548704
Cr       1.44424000       0.08253000       1.16185000       0.07324319      -1.65378037      -0.46580023
Cr       3.16953000      -1.46755000       3.23821000      -0.52232382       2.56774251       1.52010617
Cr       4.42375000       0.06997000       1.05683000      -0.88534854      -0.58394872       0.97773213
Cr       2.66989000       1.43970000       3.24805000       0.70500206      -0.15291008       1.13758663
O        0.04897000       1.52923000       1.03782000       0.66289728      -1.47402162      -1.87796121
O       -1.95572000       3.01148000       3.52662000       1.00476478       0.26767994      -0.25541033
O       -1.51254000       0.21533000       2.99118000      -0.53742431       0.03940440       0.82263196
O        2.95187000       1.43092000       1.21613000       0.17995713      -1.30428261       1.62430520
O        2.22631000       4.48950000       1.43153000      -0.02049906      -0.44358566      -3.35503150
O        1.41866000      -0.19238000       3.08931000       1.96976303       0.75254354       0.04745882
O       -0.73126000       4.35484000       0.94484000       0.10122445       1.15513962      -0.80843734
O        1.28712000       2.85451000       3.48089000      -1.46182416      -1.67453835      -0.55154560
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.35991896 magmom=20.006116 free_energy=-109.35991896 stress="-0.09568119571202773 0.022625730321729084 -0.008300961921014196 0.022625730321729084 -0.05794828678978063 0.01185980151833208 -0.008300961921014196 0.01185980151833208 -0.006135934723034002" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.13321000      -0.22237000       4.19271000       0.30451625       0.50131764       1.94422739
Cr      -0.41839000       2.82651000       2.24818000      -0.36039648       0.01330480      -0.33179774
Cr       1.47689000       0.04710000       1.20357000      -0.03571366       0.42015769      -1.33503616
Cr       3.08639000      -1.32424000       3.29046000      -0.40619340      -2.57469312      -0.26382306
Cr       4.40194000      -0.04802000       1.04677000      -0.47242804       1.47263183      -0.68440779
Cr       2.79246000       1.45464000       3.28650000      -1.20717631       2.31319157       0.23489391
O       -0.03216000       1.36481000       0.98416000       0.54328276       0.55684083      -0.65843170
O       -1.90623000       3.17872000       3.54156000       0.30358553      -0.23096944      -0.24986550
O       -1.59988000       0.24499000       3.10034000       0.79826721      -0.56717316      -1.23220150
O        2.99145000       1.44666000       1.21952000      -0.05890087      -0.89881458       1.05253239
O        2.21885000       4.53095000       1.10593000      -0.39142912      -1.48766861       1.13786827
O        1.53994000      -0.13347000       3.19338000       0.80154053       0.45308562      -0.84144729
O       -0.66129000       4.45558000       0.99547000       0.01965351      -0.71100291      -0.53000607
O        1.27537000       2.70020000       3.24581000       0.16139208       0.73979184       1.75749484
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.62352332 magmom=19.9974122 free_energy=-108.62352332 stress="-0.08569117310015863 0.017079016024049078 0.001992212655310268 0.017079016024049078 -0.05061672359786815 0.00289249963445728 0.001992212655310268 0.00289249963445728 -0.036719886519517485" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14938000      -0.10428000       4.26177000       1.68683011      -2.25694505       0.91074798
Cr      -0.45975000       2.72813000       2.23616000       0.69836658      -0.28248287      -1.89501827
Cr       1.51183000       0.01860000       1.16882000      -0.01932220       0.62162207      -0.71375767
Cr       2.99808000      -1.30804000       3.33375000       1.62672105      -2.33006159      -1.08669460
Cr       4.34757000      -0.10524000       1.00854000       0.53945242       0.41043913       0.02096530
Cr       2.86542000       1.58340000       3.34062000      -0.35092333      -0.65473757      -1.03739532
O       -0.04416000       1.31100000       0.87242000       0.12580384       0.42917743       0.85943323
O       -1.75315000       3.27076000       3.46323000      -1.80963830       0.02012921       1.47590087
O       -1.54142000       0.15686000       3.07846000      -0.78402957       0.58291968      -1.25078947
O        2.97682000       1.33142000       1.35105000       0.01674488       1.14177884      -1.02241536
O        2.17406000       4.34253000       0.91415000      -0.10745733       1.73638126       2.67550290
O        1.71574000       0.03064000       3.17956000      -1.94393965      -0.56419523      -0.26076747
O       -0.59648000       4.42799000       0.98257000      -0.67838220      -0.18365113      -0.23702835
O        1.19465000       2.66070000       3.27993000       0.99977370       1.32962583       1.56131623
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.61425958 magmom=20.0019092 free_energy=-108.61425958 stress="-0.028087418419281435 -0.004837728799294186 0.011162130721312296 -0.004837728799294186 -0.0449526367598835 -0.011105452207332573 0.011162130721312296 -0.011105452207332573 -0.08995379761442092" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.46959000       2.80629000       0.02406000      -0.30057902      -0.15421912      -1.90075013
Cr      -0.46684000       2.63855000       2.14000000      -0.46097846       2.41919137       1.67345851
Cr       1.53670000       0.03042000       1.09777000      -1.50006768       0.48783829       1.59848353
Cr       2.99247000      -1.41197000       3.32445000       1.52692595       3.59282664      -1.20892186
Cr       4.32304000      -0.12756000       0.98410000       0.90499041       0.94557768       3.29738025
Cr       2.89533000       1.67587000       3.32470000      -1.83178751      -3.90076413      -1.34247873
O       -0.03852000       1.36974000       0.93527000       0.99287342      -2.11143102      -1.85699345
O       -1.80255000       3.26548000       3.50845000      -0.09259332      -0.47748228      -0.40378989
O       -1.49516000       0.12350000       2.95191000      -0.53370371       0.94291071       1.15152073
O        2.91996000       1.44085000       1.27068000       0.93124327      -0.49517453       0.86732501
O        2.13838000       4.33286000       1.18433000       0.10533801       0.73141815       1.23620702
O        1.53256000       0.07340000       3.11952000       0.93607963      -0.90343101      -0.21265280
O       -0.63635000       4.33368000       0.94012000       0.09134595       0.85979781      -0.28160032
O        1.20833000       2.86706000       3.52420000      -0.76908694      -1.93705856      -2.61718787
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.81045257 magmom=20.0023381 free_energy=-108.81045257 stress="-0.023152103593596516 0.019143823072817617 -0.0005761647236738908 0.019143823072817617 -0.0377884624978295 0.0035373916123991917 -0.0005761647236738908 0.0035373916123991917 -0.12390595387097537" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.55672000       2.83328000       0.03675000      -1.21319764       1.77047760      -0.67554546
Cr      -0.47744000       2.66380000       2.08260000       0.16740870       0.71263986       0.78957480
Cr       1.48014000       0.06822000       1.10293000       0.41538961      -1.60292235       0.37663062
Cr       3.06443000      -1.36157000       3.28277000      -0.41277156      -0.41517797       4.32255413
Cr       4.36010000      -0.10100000       1.11109000       0.82023390       1.11925863      -0.90052812
Cr       2.81685000       1.55666000       3.22409000      -2.07452202      -0.87196659       1.01482501
O        0.05937000       1.23602000       0.86872000      -1.30040340       1.51405164       0.30715242
O       -1.86856000       3.10196000       3.46155000       0.32195273       0.50124241      -0.40748689
O       -1.49047000       0.23288000       3.08199000      -0.20510339       0.19701012       0.35239553
O        2.97367000       1.51184000       1.27151000       0.60566978      -2.09179765       0.88125970
O        2.16458000       4.46695000       1.56627000       0.00699779      -0.71389819      -6.40582013
O        1.39630000      -0.08084000       3.06942000       2.02477627       0.43048323       0.04420495
O       -0.67269000       4.35292000       0.86951000       0.10779515       0.24714043      -0.02484612
O        1.10027000       2.82948000       3.42375000       0.73577407      -0.79654116       0.32562957
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.80966464 magmom=20.0021297 free_energy=-108.80968035 stress="-0.05687257634211511 0.023813191207939018 0.015521580041270817 0.023813191207939018 -0.051458423621756046 -0.007250928330360518 0.015521580041270817 -0.007250928330360518 -0.05230848352920867" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59809000       2.94192000       0.00574000       0.51113084      -0.47393883       1.33258582
Cr      -0.47442000       2.75341000       2.08263000       0.11596627       0.95820927       0.46788631
Cr       1.43859000       0.02498000       1.12294000       1.44564802      -1.21716961      -2.11925369
Cr       3.11855000      -1.32097000       3.35525000      -0.20290344      -2.80603425      -2.21370998
Cr       4.43320000      -0.03118000       1.20401000      -0.73165863      -0.47837213      -1.66459000
Cr       2.64700000       1.40644000       3.19208000       0.87953482       2.70602566       1.75297301
O       -0.02113000       1.33668000       0.87952000       0.82788608      -0.14024442       0.35597256
O       -1.89267000       2.99968000       3.33260000      -1.43474447       1.33848335       1.71109974
O       -1.49886000       0.31210000       3.29860000      -0.81942373      -1.18154067      -1.85516470
O        3.05420000       1.32577000       1.31146000      -1.31357443       0.70048463      -1.18327052
O        2.23799000       4.45772000       1.17699000      -0.44441260       0.24771269       1.93830529
O        1.52599000      -0.17633000       3.09021000       0.01417879      -0.37104322      -0.30894802
O       -0.68144000       4.38819000       0.84713000      -0.27741861      -0.03882291       0.47632564
O        1.06770000       2.63303000       3.27842000       1.42979109       0.75625042       1.30978854
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.26349742 magmom=20.0032967 free_energy=-109.26349756 stress="-0.0736551145784888 0.028464096010356665 0.01282242114464388 0.028464096010356665 -0.08467670910230775 -0.011530884198506963 0.01282242114464388 -0.011530884198506963 -0.012943767416631623" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.64014000       2.99848000       0.02762000       0.31821887      -1.51831282      -0.94153342
Cr      -0.46002000       2.86973000       2.13284000       0.04557463       0.15318368       1.40497772
Cr       1.48369000      -0.07108000       1.04391000      -0.01780354       0.99317191       0.01233945
Cr       3.13821000      -1.42654000       3.32588000      -1.48344889      -0.18473431      -0.70235259
Cr       4.44359000       0.00896000       1.18567000      -1.37234754       0.43084261      -0.86624485
Cr       2.57294000       1.42077000       3.25239000       2.70699151      -0.34345382      -0.54145278
O       -0.02302000       1.43741000       0.96795000       0.71538643      -1.59217318      -0.94048539
O       -2.02142000       3.07438000       3.40754000       1.21195704      -1.17682022       0.26047487
O       -1.54666000       0.16092000       3.23219000      -0.11584470       0.49593016      -1.17857354
O        2.89422000       1.30701000       1.14751000       0.21793760       0.23000970       1.22733026
O        2.24983000       4.45726000       1.09949000      -0.35988740       0.52879623       2.49042332
O        1.59368000      -0.25259000       3.10438000      -0.80387418       0.17441364      -0.70118348
O       -0.71155000       4.37147000       0.93903000      -0.39565952       0.44568225      -0.80092494
O        1.16971000       2.63743000       3.29840000      -0.66720033       1.36346416       1.27720536
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.3988262 magmom=19.9998512 free_energy=-109.3988262 stress="-0.05449411349942475 -0.019280830757956845 0.010238131031901774 -0.019280830757956845 -0.05066057238400567 0.00819399057479993 0.010238131031901774 0.00819399057479993 -0.07098307040157255" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.68232000       2.97657000       0.01391000      -0.99846003       0.52389922      -0.22071168
Cr      -0.43285000       2.97643000       2.24235000       1.28779272      -0.99014941      -0.74019869
Cr       1.52478000      -0.10720000       0.97433000      -1.63460964       1.25092974       2.65319659
Cr       3.09014000      -1.52913000       3.26002000       0.52877974       2.62524105       0.97841118
Cr       4.37795000       0.06660000       1.11621000      -0.45759550      -0.08127342       0.09649821
Cr       2.63818000       1.43269000       3.28029000       0.04278420      -1.47366660      -1.08176594
O        0.04760000       1.32841000       0.96030000      -0.23863351       0.41943881      -0.37250379
O       -1.92884000       2.96072000       3.45955000      -0.47711465      -0.01567714      -0.88173807
O       -1.56939000       0.06610000       3.02899000       0.04815935       1.17181704       1.43903242
O        2.74522000       1.39613000       1.15859000       1.49806575      -0.63479720       1.41734928
O        2.24130000       4.41611000       1.35438000       0.04159213      -1.03960480      -1.72671371
O        1.50073000      -0.24447000       3.06079000       0.93744706       0.27479518      -0.50539627
O       -0.77398000       4.38623000       0.95582000      -0.03630147       0.13092327      -1.14496639
O        1.14082000       2.83323000       3.48196000      -0.54190615      -2.16187574       0.08950685
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.90558281 magmom=19.9978345 free_energy=-108.90558282 stress="-0.040920199326878105 -0.009489907730901775 0.00674060406936129 -0.009489907730901775 -0.029560283601162383 -0.006036419776972444 0.00674060406936129 -0.006036419776972444 -0.1203233180020698" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12660000       0.06471000       4.33778000      -0.62157552      -0.67530312      -0.52369083
Cr      -0.33004000       3.03862000       2.31304000       0.26282458       0.27484731      -2.84955832
Cr       1.47198000      -0.06298000       1.03673000      -0.73126230      -0.20174971      -0.37822353
Cr       3.04565000      -1.49368000       3.24448000       1.07000160      -0.23010048       0.58368013
Cr       4.28541000       0.12215000       1.07272000       1.26135660      -1.87543450       1.96152701
Cr       2.72894000       1.35451000       3.24879000      -0.64543279       0.73740389       0.98756763
O        0.02536000       1.28626000       0.89088000      -0.21187572       0.99276003      -0.03306872
O       -1.83522000       2.79418000       3.38443000      -1.65982679       1.76122076       1.44687991
O       -1.54466000       0.14695000       3.07237000      -0.10961381      -0.78504058       0.30973099
O        2.84325000       1.43095000       1.34644000      -0.08344206      -0.63534744      -1.74984754
O        2.24040000       4.18035000       1.30406000      -1.39114053       2.60004715       0.82281406
O        1.49716000      -0.14158000       2.99365000       0.65572215      -1.27174738       0.05464744
O       -0.79537000       4.38803000       0.84960000       0.31555404      -0.16697112       0.69699537
O        0.99722000       2.76185000       3.59231000       1.88871054      -0.52458482      -1.32945359
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.12526723 magmom=19.9971592 free_energy=-109.12526723 stress="-0.05127836862890766 0.03355082485422821 -0.01960539148568757 0.03355082485422821 -0.028332193030837165 0.017882495655000885 -0.01960539148568757 0.017882495655000885 -0.06401155445570711" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05899000      -0.00479000       4.28332000       0.98242216       0.45710846       1.58968555
Cr      -0.19637000       3.11940000       2.24100000      -0.87933267      -1.07872257      -0.24344352
Cr       1.33611000       0.00142000       1.10653000       0.99357171       0.07963706      -1.63804819
Cr       3.06676000      -1.44960000       3.27463000       0.39043746      -2.42616214      -0.72417229
Cr       4.26201000       0.07100000       1.11852000       1.80944537      -2.63426621      -1.15347500
Cr       2.81184000       1.29986000       3.25988000      -1.39896197       2.83615364       0.73933743
O       -0.09869000       1.42566000       0.84138000      -0.01525874      -0.41880060       1.30034601
O       -1.94553000       2.95569000       3.46336000       0.25809390       0.57200426      -0.34998475
O       -1.49352000       0.10507000       3.23525000      -1.14160114      -0.26401763      -2.57241696
O        2.94717000       1.37456000       1.25288000      -1.47181607       0.20565234       0.34407279
O        2.02583000       4.28397000       1.19762000       0.57544754       1.01281117       1.13806136
O        1.55846000      -0.20324000       3.01584000      -0.35105211      -0.46735160       0.68518288
O       -0.71667000       4.31874000       0.88304000      -1.23582407       1.47504719      -0.35518860
O        1.11601000       2.54117000       3.44576000       1.48442865       0.65090663       1.24004330
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.39097864 magmom=20.0070566 free_energy=-108.39097864 stress="-0.09299325106591895 0.04122292191919619 -0.013387608476829424 0.04122292191919619 -0.06021802769274313 0.020702761293219837 -0.013387608476829424 0.020702761293219837 -0.03401689883777388" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01058000      -0.06704000       4.29208000      -0.74375758       1.12471015       1.34092081
Cr      -0.10045000       3.13531000       2.13756000       0.47323161      -1.05871842       1.54471317
Cr       1.24419000       0.08585000       1.10213000       2.49930563       1.25699168       1.09247931
Cr       3.09917000      -1.51644000       3.28459000      -2.14558627       1.13142803      -0.15197663
Cr       4.31841000      -0.10113000       1.11442000      -2.27185439       1.78555751      -1.14338959
Cr       2.83990000       1.38276000       3.31490000       0.24950924      -0.87802848      -1.39293595
O       -0.23122000       1.51080000       0.99394000       0.74847858      -1.46183731      -0.74311003
O       -1.95377000       3.19209000       3.49350000       1.71638247      -2.47079345      -0.26255668
O       -1.53499000       0.01191000       3.06117000      -0.19886552       1.15507280      -0.12845442
O        2.82586000       1.33224000       1.13083000       0.35013213      -0.60506490       2.18613655
O        1.93409000       4.52336000       1.24062000       1.49110274      -2.19961683      -0.43021093
O        1.51091000      -0.32150000       3.19447000       0.59477759       0.74285344      -1.40798154
O       -0.77825000       4.42655000       0.94982000      -0.02835406      -0.40284483      -0.69982148
O        1.38492000       2.50957000       3.39489000      -2.73450215       1.88029061       0.19618743
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.95177574 magmom=20.0017376 free_energy=-108.95177578 stress="-0.06603580200613049 -0.009085321462705992 -0.024423568002422322 -0.009085321462705992 -0.058213455950586294 0.016736574028031158 -0.024423568002422322 0.016736574028031158 -0.04688997971552476" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.49199000       2.80063000       0.00958000      -0.48367595       0.16496689      -0.28877659
Cr      -0.02195000       3.07650000       2.10660000      -2.37336465       0.63285188      -1.03023917
Cr       1.30434000       0.19048000       1.13733000       0.27352546      -3.11334156       0.23335634
Cr       3.05504000      -1.52411000       3.28036000       1.08680078       2.18605178      -0.22882296
Cr       4.25277000      -0.15673000       1.04778000      -0.06976986       2.29422908      -0.22298529
Cr       2.84633000       1.44008000       3.29272000      -0.99651588      -0.37850334      -0.06657237
O       -0.19725000       1.39087000       1.04703000       0.21437170      -0.14084110      -1.43362054
O       -1.76648000       3.03411000       3.46135000      -1.21978249       0.27432134       0.22653621
O       -1.58489000       0.09149000       2.95577000       0.38728065      -0.43168488       1.75228477
O        2.75846000       1.31660000       1.31628000       1.54942011       1.11155650       0.00106088
O        2.10786000       4.35145000       1.19798000      -1.11513097      -0.38371002       0.95266765
O        1.47570000      -0.26056000       3.19773000       0.93655119       0.27581521      -1.15550674
O       -0.76826000       4.44002000       0.93463000       0.50543720      -0.13617103      -0.79567807
O        1.22228000       2.74310000       3.39098000       1.30485269      -2.35554076       2.05629587
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.55797763 magmom=19.997699 free_energy=-108.55797967 stress="-0.021743032483276144 0.0023904725797881275 -0.022709123817967528 0.0023904725797881275 -0.045939672601918426 0.013243186509241067 -0.022709123817967528 0.013243186509241067 -0.11735430658457403" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.41606000       2.77848000       0.05688000       1.31876635      -0.84543477      -1.65423627
Cr      -0.06980000       3.02269000       2.05541000      -0.90301763      -0.39142416       0.90250141
Cr       1.40029000       0.14496000       1.17475000      -0.28087196      -2.10856471      -1.89408963
Cr       3.05428000      -1.42719000       3.26993000       0.48880004      -1.37982403       0.60702614
Cr       4.17336000      -0.08621000       0.99739000       2.32298940       0.21945272       2.72709084
Cr       2.81286000       1.46679000       3.27606000      -0.40051375      -0.34553489       1.41868652
O       -0.10001000       1.31350000       0.89599000      -0.40496767       0.56700809       0.20674038
O       -1.74826000       2.90577000       3.44062000      -0.27921716       1.91296911       0.45442543
O       -1.55680000       0.10000000       3.16073000      -0.76691309       0.22812673      -1.71056694
O        2.88719000       1.46885000       1.39222000       0.16209705      -1.44571984      -1.44064868
O        2.17245000       4.13267000       1.29144000      -0.73152410       3.01914071       1.39057416
O        1.51820000      -0.12172000       3.07079000      -0.05227612      -0.42743702       0.95093115
O       -0.62103000       4.37479000       0.84906000      -1.14391409       1.14753923       0.29812654
O        1.15540000       2.69704000       3.54376000       0.67056273      -0.15029717      -2.25656104
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.31879008 magmom=20.0038441 free_energy=-109.31879008 stress="-0.0391529542720937 0.016400513893954832 -0.025667134825289296 0.016400513893954832 -0.054145018578965406 0.015247924431578375 -0.025667134825289296 0.015247924431578375 -0.08115810975014323" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.40216000       2.73239000       0.02498000       0.67094936       1.09064125      -0.58013828
Cr      -0.20864000       2.93632000       2.04267000      -0.59612598      -0.15275533       1.10014306
Cr       1.47721000      -0.02485000       1.11460000      -0.26432267       1.45155797       0.03173236
Cr       3.08543000      -1.39534000       3.30725000      -0.60476459      -1.36565589       0.36598204
Cr       4.24096000       0.00608000       1.06672000       2.84809968      -1.02503496      -0.10494420
Cr       2.76427000       1.48465000       3.32432000       0.14490706       0.01649380      -1.55222655
O       -0.05615000       1.39506000       0.83679000       0.45662005      -0.86183307       1.27818684
O       -1.80721000       3.07645000       3.45080000      -0.28123433       0.11664906       0.04401144
O       -1.58921000       0.13662000       3.15681000       0.03346692       1.07194113      -1.28434453
O        3.01477000       1.41559000       1.20781000      -1.12123275      -0.84057193       1.81360931
O        2.14610000       4.33770000       1.45003000       0.18919403       0.28051227      -2.70815141
O        1.51330000      -0.03197000       3.12072000      -0.03477196      -0.92395837       0.09488521
O       -0.62740000       4.43056000       0.87941000      -1.36519724       0.14029664       0.40034722
O        1.19637000       2.63170000       3.37939000      -0.07558758       1.00171742       1.10090750
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.0799387 magmom=19.9955002 free_energy=-109.0799387 stress="-0.0788185120732477 0.037052115296975385 -0.0044743718432369226 0.037052115296975385 -0.07836135661329956 -0.0003495339482112608 -0.0044743718432369226 -0.0003495339482112608 -0.023310523468599603" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.10878000      -0.15172000       4.31906000      -0.55387718       0.28535850       0.72493462
Cr      -0.38536000       2.84455000       2.09755000      -0.64599869       0.92650637       1.53320915
Cr       1.51885000      -0.11726000       1.04443000      -1.09621315       2.82179432       1.28884608
Cr       3.08717000      -1.42184000       3.35161000      -0.73455595       1.79885724      -1.65431582
Cr       4.44627000       0.05656000       1.14311000      -2.28167138      -0.12125370      -1.11530729
Cr       2.70670000       1.50157000       3.30345000      -0.54764525      -0.26794992      -1.10972182
O        0.03783000       1.39743000       0.98998000       0.88042284      -0.89054904      -1.55747152
O       -1.88356000       3.24040000       3.42925000       0.39039076      -1.61899667       0.13750514
O       -1.57118000       0.28876000       3.02760000       0.45107162      -0.53127623       1.69416136
O        2.90295000       1.28036000       1.21717000       0.06410839       1.16398190       0.65090431
O        2.22991000       4.53242000       1.21392000       1.10901502      -2.51363897       0.59994629
O        1.49731000      -0.09527000       3.23801000       1.35935594      -0.44829783      -1.38869586
O       -0.78778000       4.45238000       1.00862000       1.33154988      -0.64865375      -1.32735346
O        1.20963000       2.76272000       3.29076000       0.27404715       0.04411777       1.52335881
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.12673798 magmom=19.9981371 free_energy=-109.12673798 stress="-0.07126531353515056 0.008861893255507926 0.0041529574789810845 0.008861893255507926 -0.04356627066817826 0.005634563089238158 0.0041529574789810845 0.005634563089238158 -0.03185116557531533" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07983000      -0.12886000       4.29792000       0.87263137      -0.27243374       1.10401461
Cr      -0.53858000       2.80738000       2.20550000       2.05226479      -0.60533952      -1.03639309
Cr       1.52363000      -0.06903000       1.05030000       0.75194929      -0.76057571       0.27412485
Cr       3.07029000      -1.36863000       3.30273000       2.09393348      -0.43963448      -0.77389396
Cr       4.51122000       0.06993000       1.16176000      -1.97591622      -1.00846434      -0.86693300
Cr       2.63430000       1.50065000       3.23153000       0.61037534       0.05342680       1.03617886
O        0.16771000       1.35071000       0.97687000      -0.86377319       0.87588246      -0.29714471
O       -1.89948000       3.10593000       3.40356000      -1.67699145       0.24046433       1.48963359
O       -1.47382000       0.30477000       3.15366000      -1.84937217       0.09676033      -1.72534392
O        2.79429000       1.39120000       1.28960000       1.86072516      -0.53407005       0.10128015
O        2.41313000       4.34563000       1.07116000      -1.25803775       1.58418751       2.07713874
O        1.60001000      -0.20658000       3.16357000      -0.75193490       1.01480953      -1.18951246
O       -0.70558000       4.36179000       0.95185000       0.57804071       0.67585106      -0.59103817
O        1.20620000       2.88210000       3.43582000      -0.44389446      -0.92086419       0.39788851
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.33238054 magmom=20.0063617 free_energy=-109.33238054 stress="-0.024839148807532022 -0.014462705490253526 0.00894871224175087 -0.014462705490253526 -0.030092772010320425 0.0025902370912938492 0.00894871224175087 0.0025902370912938492 -0.09867343442513926" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01473000      -0.09080000       4.33964000      -0.22943840       0.44205946      -0.64336673
Cr      -0.58112000       2.76185000       2.27180000       1.10014566      -0.11918346      -0.75586357
Cr       1.55967000      -0.04149000       1.07142000      -0.58171454       0.26820107      -1.31103919
Cr       3.13853000      -1.34185000       3.21737000      -1.04677497      -1.52918515       1.75324952
Cr       4.45295000       0.03047000       1.12531000       0.72360792       0.18455198       0.08622749
Cr       2.58882000       1.50142000       3.21889000       0.69082607      -0.40202453       1.19228408
O        0.09950000       1.46571000       0.93247000       0.03313346      -0.75718651      -0.16735955
O       -2.05148000       2.96767000       3.50962000       1.10933481       1.92261237      -0.71012016
O       -1.56166000       0.24820000       3.10499000       0.51885160       0.25582687      -0.26280919
O        2.99137000       1.46454000       1.29138000       0.19364224      -1.06634101      -0.30147536
O        2.36373000       4.33262000       1.25092000      -0.43624256       0.86338970       0.15415195
O        1.55776000      -0.14146000       2.93937000      -0.31822659      -0.17027136       1.87238801
O       -0.49283000       4.32828000       0.84627000      -1.80667110       0.25009702       0.90131272
O        1.12106000       2.84353000       3.58827000       0.04952639      -0.14254645      -1.80758001
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.82095741 magmom=19.9999306 free_energy=-108.82095741 stress="-0.040966606095666734 0.021537747013665575 0.013939601726836033 0.021537747013665575 -0.038893950567625214 -0.007034363854574603 0.013939601726836033 -0.007034363854574603 -0.08975771317159392" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.60545000       2.87125000       0.01715000      -1.49766406       0.61939137      -0.12574301
Cr      -0.53805000       2.70174000       2.28772000      -0.08959819       0.26158655      -1.38315881
Cr       1.55406000      -0.00181000       1.03457000      -1.52975993       0.95491233       0.90468744
Cr       3.17009000      -1.40464000       3.24472000      -2.69295885       1.12942089       1.63044662
Cr       4.41907000      -0.01550000       1.06254000       0.94211229      -0.01112291       0.33822628
Cr       2.58913000       1.48356000       3.28902000       1.45863877      -0.28235693      -0.63477706
O       -0.05422000       1.49179000       0.88887000       1.62983272      -1.75565616      -0.72071144
O       -1.98726000       3.10756000       3.46477000       0.51358368      -0.80777107       0.22879526
O       -1.55291000       0.18001000       3.02954000       0.51375551       0.62231148       1.12589618
O        3.19888000       1.42483000       1.16821000      -2.42691052       0.32517887       0.99704261
O        2.20705000       4.45072000       1.39292000       0.62228476      -1.06225377      -2.32071653
O        1.39969000      -0.01080000       3.01267000       1.66915724      -0.84121778      -0.40656817
O       -0.57221000       4.34786000       0.91822000      -0.95076959       0.61074306      -0.28855849
O        1.02687000       2.73985000       3.42725000       1.83829617       0.23683407       0.65513913
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.17901625 magmom=19.9897373 free_energy=-108.1793892 stress="-0.07207450415319405 0.04421100813756176 0.017417692829686807 0.04421100813756176 -0.07450376080284894 -0.019211247405814102 0.017417692829686807 -0.019211247405814102 -0.04166808466888347" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62367000       3.00590000       0.04856000      -0.56595796      -0.91677786      -0.32083177
Cr      -0.45927000       2.64141000       2.20369000       0.20832737       0.23973224      -1.59398563
Cr       1.45607000       0.09028000       1.01982000       1.58586457      -1.44572475       0.93959418
Cr       3.06647000      -1.42999000       3.35765000       0.40045782       1.15187805      -3.85134966
Cr       4.40223000      -0.05559000       1.01583000      -3.24759935       1.16262201       1.21953321
Cr       2.68283000       1.43248000       3.35177000       2.19247522       0.58125750      -1.34071966
O       -0.00982000       1.25741000       0.84731000      -0.23525148       1.57553446       1.20201336
O       -1.76388000       3.19262000       3.38017000      -2.66495785      -0.62326917       1.90700707
O       -1.41633000       0.17290000       3.17141000      -2.06924711       0.27764626      -1.16821062
O        2.98392000       1.44657000       1.13724000      -0.00273993      -1.05451636       1.69904561
O        2.13578000       4.42770000       1.13118000      -0.36159319       1.71197033       2.40926668
O        1.49278000      -0.01887000       3.17985000       1.47377766      -1.93081299      -1.85267454
O       -0.85035000       4.42102000       1.01861000       2.60295103      -1.50967862      -0.94935341
O        1.18394000       2.67037000       3.23649000       0.68349320       0.78013891       1.70066517
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.51125002 magmom=19.9986573 free_energy=-108.51125006 stress="-0.08880293802998927 0.024175511493021034 0.01067411758352878 0.024175511493021034 -0.11714184243700082 -0.030865633993153323 0.01067411758352878 -0.030865633993153323 -0.028223786661810715" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.60788000       3.07849000       0.05572000       0.93357559      -1.19770884      -0.95418510
Cr      -0.38621000       2.63593000       2.07898000      -0.83379919       3.23266192       3.04500632
Cr       1.43143000       0.09564000       1.05847000      -0.76453370      -1.66762258       1.14081672
Cr       3.00901000      -1.40677000       3.29636000       3.81864187      -1.87314893      -0.51169063
Cr       4.27450000      -0.05071000       1.03714000       1.50611374       0.98630595       0.30367943
Cr       2.85503000       1.41213000       3.34419000      -1.58154706       1.01295592      -0.64193852
O       -0.05090000       1.28044000       0.96235000      -0.27862523      -1.20294367      -2.54046553
O       -1.87022000       3.07536000       3.48909000       0.13868699       0.04969108      -0.75279092
O       -1.51454000       0.18721000       3.21133000       0.35961491      -0.75879702      -1.32134936
O        2.74743000       1.41754000       1.29187000       2.20552558       0.46178604       0.15952422
O        2.09220000       4.54577000       1.15939000       0.13247774      -1.19879472       1.21601947
O        1.69247000      -0.22096000       3.12593000      -3.47263508       2.39460269       0.23560353
O       -0.76162000       4.30752000       0.96987000      -0.05764428       0.60079721      -0.28340598
O        1.35746000       2.71611000       3.30335000      -2.10585188      -0.83978505       0.90517635
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.40746833 magmom=20.0017332 free_energy=-109.40746833 stress="-0.03775108616913854 -0.01735938719796853 0.010927753059620729 -0.01735938719796853 -0.05286996434744132 -0.012614159498787763 0.010927753059620729 -0.012614159498787763 -0.0881094523083931" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62890000       3.06770000       0.01543000      -0.66946396      -0.42211151       0.68589448
Cr      -0.35809000       2.77011000       2.10138000       0.18079534       0.08782488       0.94240116
Cr       1.40018000       0.01941000       1.14422000      -0.72840349       0.37863988       0.11736497
Cr       3.09791000      -1.45997000       3.21503000      -1.26356754      -0.83252773       1.72215890
Cr       4.23305000       0.00071000       1.06871000       1.54767718       0.06916705      -0.39507003
Cr       2.89913000       1.43548000       3.30528000      -3.38486990      -1.11278961       0.21493230
O       -0.16979000       1.29422000       0.81465000       1.27797734       0.29139043       0.66108469
O       -1.91065000       2.98538000       3.47264000       1.27330842       1.52974448       0.00312576
O       -1.52678000       0.08086000       3.09520000       0.57717038       0.37186660      -0.16488713
O        2.83982000       1.45270000       1.36587000       0.09147981      -0.41397288      -1.19578899
O        2.11360000       4.44671000       1.33530000      -0.16119203      -0.34716950      -1.01561156
O        1.44325000      -0.11653000       3.13321000       2.14887874      -0.66821640      -1.20334827
O       -0.61721000       4.25655000       0.90407000      -1.05467417       1.39753174      -0.13530390
O        1.16437000       2.68574000       3.45991000       0.16488389      -0.32937742      -0.23695237
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.0031199 magmom=19.9978669 free_energy=-109.00312053 stress="-0.019235279887314657 0.00817559986205486 0.001048885483774499 0.00817559986205486 -0.017496627766296263 -0.012065770895063608 0.001048885483774499 -0.012065770895063608 -0.11721491751404291" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07489000       0.13334000       4.35627000      -0.11087952      -0.95303416      -0.42780402
Cr      -0.33599000       2.91368000       2.17569000      -0.04769038      -0.31796660      -1.21713078
Cr       1.34262000      -0.02333000       1.21112000       1.97342574       1.06692203      -2.95822617
Cr       3.13850000      -1.55203000       3.22626000      -0.43992347       0.81022389       0.33538187
Cr       4.28533000       0.05308000       1.07075000       0.20189297      -1.19303000      -0.09648068
Cr       2.77515000       1.42371000       3.27103000       0.24662055       0.07757163      -0.49492412
O       -0.07817000       1.35434000       0.81388000       0.41986650       0.11294845       0.95890809
O       -1.77506000       3.06652000       3.41862000      -1.99740811      -0.73005235       1.15859209
O       -1.43538000       0.02696000       3.01954000      -1.30369797       0.88017762       0.54841383
O        2.92862000       1.44777000       1.23590000      -0.79709668      -0.67963288       0.80903903
O        2.15403000       4.26256000       1.31147000      -0.79452039       2.08088382       0.67361338
O        1.46014000      -0.06496000       3.05465000       1.59016562      -1.19247737       0.96515933
O       -0.64391000       4.36095000       0.88227000      -1.48145142       0.08112627      -0.20703812
O        0.97395000       2.63621000       3.51024000       2.54069655      -0.04366035      -0.04750373
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.67892974 magmom=20.0042098 free_energy=-109.67892974 stress="-0.04708448193578834 0.034999271904242735 -0.0034146224947835665 0.034999271904242735 -0.04021570326486692 0.005398320327306577 -0.0034146224947835665 0.005398320327306577 -0.028553452413478137" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03828000       0.02097000       4.32903000       0.22105588       0.26786063      -0.11132119
Cr      -0.32336000       3.04719000       2.21099000      -0.06790822      -0.11327102      -0.21224095
Cr       1.38887000      -0.01103000       1.12830000       1.06769178      -0.35646506      -0.30458588
Cr       3.15514000      -1.58995000       3.27478000      -0.35350184       2.86266915      -0.26892984
Cr       4.35442000       0.05300000       1.07183000      -1.27018274       0.04324787       0.89712633
Cr       2.65409000       1.40870000       3.21368000       2.00792227      -0.28231307       0.60568405
O        0.07971000       1.46947000       1.04206000      -0.88951184      -1.14364513      -1.37930619
O       -1.88761000       2.99672000       3.47332000      -0.19430232      -0.55311141       0.10823499
O       -1.51569000       0.13330000       3.08608000      -0.62644749      -0.01120430      -0.50601923
O        2.85543000       1.35148000       1.17741000       0.23887287      -0.10465770       1.03821914
O        2.12546000       4.35517000       1.26140000       0.29910052       0.01286592       0.09196865
O        1.70152000      -0.23599000       3.12548000      -2.01449581      -0.45491405      -0.02223054
O       -0.87310000       4.44615000       0.90083000       1.40054389      -0.76356667       0.04355615
O        1.14094000       2.63763000       3.44820000       0.18116305       0.59650484       0.01984452
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.71286509 magmom=20.002122 free_energy=-108.71286509 stress="-0.09444922259846772 0.024168075596225802 -0.008277259665278472 0.024168075596225802 -0.07826421877095463 0.023937075059084524 -0.008277259665278472 0.023937075059084524 -0.019656618534525057" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00582000      -0.10070000       4.29503000      -0.95894322       1.07711401       1.19460745
Cr      -0.30736000       3.16416000       2.23264000       1.06274935      -1.76324732       1.16598831
Cr       1.49559000      -0.01640000       1.00502000      -2.20507058      -1.31115650       1.66605507
Cr       3.16475000      -1.47239000       3.31146000      -0.01730737       0.04453131      -0.04673310
Cr       4.36700000       0.04692000       1.11984000       0.04108316       0.11452850      -0.39654093
Cr       2.62374000       1.36380000       3.18899000      -0.51399502      -0.01508578       1.96748109
O        0.05653000       1.43206000       1.11156000      -0.40891040      -0.66303649      -1.35678798
O       -2.02044000       2.84247000       3.48360000       1.63380899       1.58620200      -1.13618194
O       -1.64340000       0.22020000       3.14223000       1.20228899      -1.00181511      -0.61907868
O        2.81263000       1.30185000       1.24693000       1.09589255       0.91145872      -0.28390344
O        2.18623000       4.43651000       1.17897000       0.39864003      -0.79280230       0.51696898
O        1.56660000      -0.42335000       3.27351000      -0.01109156       1.39436491      -2.02456405
O       -0.86824000       4.38409000       0.97371000       0.42518310       1.28160129      -1.85453821
O        1.30780000       2.77646000       3.35001000      -1.74432801      -0.86265723       1.20722742
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.66514028 magmom=20.0014101 free_energy=-108.66518133 stress="-0.06569670600201534 -0.019825057660709064 -0.022638557297065758 -0.019825057660709064 -0.053713891310577785 0.029075013818851005 -0.022638557297065758 0.029075013818851005 -0.054483649253609184" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11639000      -0.17578000       4.33114000       0.19391706       0.88897779       1.24797342
Cr      -0.24467000       3.18633000       2.29769000      -0.05255784      -0.47465016      -1.73474813
Cr       1.51360000      -0.08773000       0.95004000      -0.04621917       0.82820235       0.60703990
Cr       3.15444000      -1.34718000       3.34720000      -1.69453460      -3.59179255      -1.05810117
Cr       4.37166000       0.04652000       1.15273000       0.30827521      -0.77408625      -1.55812408
Cr       2.59065000       1.32855000       3.26765000       0.31964495       2.14939276      -0.74718113
O       -0.06895000       1.31622000       0.94648000       1.83009412       1.28487979       0.03707353
O       -1.85902000       2.94227000       3.27997000      -1.56175075       0.47246067       1.64845314
O       -1.54679000       0.13710000       3.12724000      -0.64219115       1.29185603      -0.67912841
O        2.91300000       1.38939000       1.26714000      -0.43398338      -1.50677915       0.65135007
O        2.33236000       4.35137000       1.13024000      -1.34684112       0.42570935       1.38331437
O        1.34957000      -0.29884000       3.10545000       2.30984999       0.42240280      -1.47804052
O       -0.66228000       4.42118000       0.84354000      -0.94512193      -0.33322857       0.09459761
O        1.16279000       2.82429000       3.43177000       1.76141861      -1.08334486       1.58552140
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.57183303 magmom=20.0048062 free_energy=-108.57183303 stress="-0.037091781129802395 -0.0037314588369257522 -0.024440143940215462 -0.0037314588369257522 -0.028116547117949312 0.01794876030311876 -0.024440143940215462 0.01794876030311876 -0.13566873127974183" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.31565000       2.68465000       0.08541000       0.73729003      -0.02247093      -0.47100162
Cr      -0.17145000       3.15075000       2.30117000      -0.09122282      -0.66984700      -1.50886013
Cr       1.52774000      -0.11303000       0.92552000       0.88510974       1.92183915      -0.62058311
Cr       3.07094000      -1.39228000       3.32052000       0.45743080      -0.18569213      -2.16711842
Cr       4.40773000       0.01527000       1.11592000       0.43873859      -0.17237236       1.86210772
Cr       2.57048000       1.40539000       3.29902000       2.08526469       0.14609168      -2.68455784
O        0.04332000       1.39610000       0.82372000       0.18689411       0.10162031       1.65381482
O       -1.83540000       3.17239000       3.27708000      -1.20460897      -0.68012620       1.19256267
O       -1.50030000       0.16871000       3.05501000      -1.60550848       0.50091512       0.43821566
O        2.92016000       1.29880000       1.29432000       0.03048777       0.06497272      -0.17500431
O        2.28303000       4.27864000       1.25461000      -0.46577604       0.69413888       0.29407084
O        1.45023000      -0.07016000       2.78489000      -0.25239559      -1.42488605       3.34194869
O       -0.59810000       4.38977000       0.80686000      -1.27391384      -0.63597267       1.27503602
O        1.15858000       2.72010000       3.64247000       0.07221002       0.36178946      -2.43063100
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.64099474 magmom=19.9974468 free_energy=-108.64099489 stress="-0.05487630953327665 0.04388443743168119 -0.0350253111245499 0.04388443743168119 -0.0449729823132868 0.02804635770902893 -0.0350253111245499 0.02804635770902893 -0.08183391702129125" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.24493000       2.68190000       0.17231000      -0.06338904       0.49742078      -2.33785781
Cr      -0.12782000       3.07078000       2.22593000      -1.96425812      -0.83107678      -0.20818971
Cr       1.56719000      -0.03775000       0.91766000      -2.10735176      -0.35760277       2.74141585
Cr       3.00400000      -1.45011000       3.20698000       0.48682029       2.16089790       2.52407958
Cr       4.46889000      -0.02535000       1.14914000      -0.30530170       0.40885719       0.31229229
Cr       2.65798000       1.48165000       3.19218000       0.57874755      -0.85484472       1.00645409
O        0.17345000       1.50464000       0.96597000      -0.86266049      -1.25751879      -0.59953566
O       -1.93161000       3.23053000       3.43281000       0.91249721      -1.30284265      -1.61478304
O       -1.66993000       0.25033000       3.10911000       1.11419405      -0.71307349       0.09183952
O        2.91461000       1.26496000       1.23087000       1.38084071       0.43523340       0.29294110
O        2.15291000       4.27478000       1.33460000       0.70496420       0.60142117      -1.59684602
O        1.53558000      -0.07970000       2.99644000      -0.79008913      -0.91989196       0.25815614
O       -0.74316000       4.29876000       0.97096000       0.16075701       2.10511405      -2.31290843
O        1.18392000       2.70633000       3.49407000       0.75422922       0.02790667       1.44294210
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.61705376 magmom=19.9995844 free_energy=-108.6170628 stress="-0.06297775149759569 0.04554470952994199 -0.024906932957288103 0.04554470952994199 -0.07921998283598972 0.008145345644529331 -0.024906932957288103 0.008145345644529331 -0.013884064104550939" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.18848000       2.70721000       0.14111000       1.98857674      -0.27946910      -0.57214969
Cr      -0.20019000       2.96109000       2.13633000      -0.92545277       1.10874555       0.58230765
Cr       1.50823000       0.03153000       1.03448000       0.02607985      -0.96263289       0.10307722
Cr       2.97632000      -1.40325000       3.20833000       1.19456337      -0.67023922       1.04903483
Cr       4.50350000      -0.02986000       1.20892000      -1.73981994       0.90511890      -1.49898086
Cr       2.77364000       1.49539000       3.13677000      -1.37866802      -0.30182721       1.99869282
O        0.12991000       1.42540000       1.04449000      -0.23872482      -1.09703738      -1.59442316
O       -1.84739000       3.04333000       3.33981000      -0.23657864       0.92775638       0.67447741
O       -1.64241000       0.17482000       3.20696000      -0.23847522       0.06536945      -2.02921701
O        3.05120000       1.35278000       1.17977000      -0.49286089      -0.82429797       1.24043120
O        2.14141000       4.34982000       1.16057000       0.57654987       1.33801014       1.44328080
O        1.48386000      -0.22716000       3.31916000      -0.11283329       1.16493350      -1.98383586
O       -0.74798000       4.44847000       0.86025000       1.94146620      -0.93067884       0.03663026
O        1.25899000       2.74997000       3.41815000      -0.36382244      -0.44375131       0.55067439
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.70034708 magmom=20.0009795 free_energy=-108.70034725 stress="-0.06848190106856913 -0.025826214733640936 -0.014828111277854942 -0.025826214733640936 -0.08289906858937984 0.007790093618872011 -0.014828111277854942 0.007790093618872011 -0.046737643221013855" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.26169000       2.74255000       0.07622000       1.45577602       0.11466196       0.58374632
Cr      -0.31844000       2.90019000       2.07359000       1.02815916      -0.21438816       0.07121086
Cr       1.46353000       0.04445000       1.16395000       2.02587507      -0.05979557      -0.76534595
Cr       2.99597000      -1.38618000       3.27871000       0.37080788      -1.41264210      -0.68581685
Cr       4.45033000      -0.00535000       1.16788000      -0.66179228      -1.13198651      -2.68371285
Cr       2.80916000       1.48970000       3.20239000      -0.87897609      -0.26850420       1.23284223
O       -0.00242000       1.28563000       0.91404000       0.94884974       1.78830076      -0.36052159
O       -1.75890000       2.97516000       3.28644000      -1.55740251       1.64844458       1.94020466
O       -1.57132000       0.07537000       3.05052000      -0.20214123       1.09170603       0.75054502
O        3.01732000       1.36161000       1.29777000      -0.88940666       0.30711429      -0.46172944
O        2.23922000       4.53717000       1.15465000      -0.46224914      -1.30518296       1.30508916
O        1.40565000      -0.18219000       3.30196000       1.19630708       0.62689748      -1.68981432
O       -0.46813000       4.44137000       0.81440000      -2.15780377      -0.77652469       0.48568957
O        1.25136000       2.74777000       3.39479000      -0.21600326      -0.40810089       0.27761319
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.17485207 magmom=20.0002144 free_energy=-109.17485208 stress="-0.023416274474949574 -0.023602286370349213 -0.0037563315503848353 -0.023602286370349213 -0.05400014215461458 0.011537325204989035 -0.0037563315503848353 0.011537325204989035 -0.1136169004008475" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.45064000       2.79977000       0.03057000      -0.41978861       0.71734405      -0.54275852
Cr      -0.39395000       2.84165000       2.04166000      -0.40188748      -0.78770013       2.26583706
Cr       1.51174000       0.03538000       1.23223000      -1.40002376      -0.37963969      -3.57801188
Cr       3.04194000      -1.44016000       3.30239000       1.04703571       0.61227466      -1.83369049
Cr       4.35639000      -0.02421000       0.98944000       0.33465977       0.38157634       1.54303468
Cr       2.79426000       1.47592000       3.33569000       0.17734152       0.05526710      -1.22401092
O       -0.05505000       1.42246000       0.81045000       0.48141842      -1.17046450       1.15296622
O       -1.83878000       3.12246000       3.45165000      -0.32640080      -0.20993179       0.36022364
O       -1.52333000       0.14115000       3.01993000      -0.07112512       0.56790168       0.25021670
O        2.78901000       1.42755000       1.33622000       1.96314195      -0.06061485       0.17730815
O        2.26016000       4.45302000       1.34341000      -0.67855331      -0.88930176      -0.97725258
O        1.47748000      -0.02102000       3.06163000       0.54444997      -1.02202273       2.57143224
O       -0.49121000       4.30374000       0.91052000      -1.53120991       2.21804993      -0.68383575
O        1.17349000       2.70780000       3.38074000       0.28094164      -0.03273831       0.51854147
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.33329947 magmom=20.002542 free_energy=-109.33329968 stress="-0.02612615913038294 0.020530356187307065 0.011650628849320931 0.020530356187307065 -0.0212853969763781 -0.006862577007589799 0.011650628849320931 -0.006862577007589799 -0.07646080262289146" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06041000       0.00053000       4.32602000      -0.66430370      -0.06031117       0.15457242
Cr      -0.46859000       2.77994000       2.11644000      -0.63172130       0.80568285       1.46165452
Cr       1.49885000       0.01759000       1.15013000      -1.27454997       0.40051060       0.85110832
Cr       3.12693000      -1.45590000       3.24545000      -0.51623186       1.32793662       0.83274246
Cr       4.28327000      -0.02645000       0.91711000       0.31948817       0.75876561       3.32131948
Cr       2.78757000       1.46815000       3.38948000      -0.09064155       0.26702904      -1.53659120
O       -0.04412000       1.42390000       0.90494000       0.20223974      -1.61842733      -1.09263931
O       -1.91294000       3.15727000       3.58205000       1.10414999      -1.18163087      -1.20686230
O       -1.46871000       0.25879000       3.12180000      -0.77512654      -0.51733937      -1.07200941
O        2.82395000       1.49898000       1.31907000       1.15075493      -1.55752086       0.36323797
O        2.17388000       4.23193000       1.32206000      -0.17664701       2.15319368      -0.57291490
O        1.60928000      -0.04974000       3.16982000       0.52738419      -1.42144167      -1.05258423
O       -0.75109000       4.40222000       0.97305000       0.25419120       0.51184722      -0.03544043
O        1.12816000       2.70187000       3.39488000       0.57101370       0.13170564      -0.41559338
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.17980504 magmom=20.0154517 free_energy=-109.17980533 stress="-0.07705840499554494 0.04592670719615085 0.031550065656781305 0.04592670719615085 -0.05482642291093904 -0.011685055134965055 0.031550065656781305 -0.011685055134965055 -0.023387863668419846" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15669000       0.07519000       4.28840000      -0.55602876      -0.46112275       0.71536751
Cr      -0.54203000       2.75362000       2.24330000       2.46705544      -0.51166138      -2.57178217
Cr       1.41743000       0.01702000       1.09586000       0.48385172      -0.39967800       1.30068017
Cr       3.18825000      -1.41858000       3.22780000      -0.21202784      -1.47677497       0.37396663
Cr       4.24022000       0.01016000       1.01998000       1.56556005      -0.03161078      -0.05305393
Cr       2.77158000       1.46607000       3.35036000      -0.97710271      -0.92515169      -0.71271473
O       -0.04487000       1.27032000       0.91527000       0.14770120       1.53506687      -0.46061098
O       -1.83990000       2.98881000       3.47748000      -2.13802197       1.39664780       1.87887230
O       -1.48141000       0.23635000       3.12305000      -0.17346186      -0.60606274      -0.50783923
O        3.00034000       1.40279000       1.27838000      -1.90956894       0.91115847       0.27285048
O        2.11080000       4.35562000       1.15472000       0.08020327       0.85142938       1.14886685
O        1.72025000      -0.26246000       3.20555000      -0.93777880       1.51636989      -1.39368997
O       -0.87749000       4.50314000       1.02635000       1.52015058      -1.58549414      -0.56905448
O        1.15368000       2.74192000       3.34340000       0.63946864      -0.21311597       0.57814154
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.44459513 magmom=19.9992618 free_energy=-109.44459517 stress="-0.07080620513196295 -0.005566122220374869 0.017881049559751512 -0.005566122220374869 -0.061508566802574584 -0.010165241265265629 0.017881049559751512 -0.010165241265265629 -0.037594232725680785" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.21846000       0.13619000       4.29892000      -1.07456990       0.54892014       0.83960148
Cr      -0.48828000       2.70897000       2.26847000       0.39210012       0.58385293      -0.18396033
Cr       1.34338000       0.00231000       1.12143000       0.86338562       0.25856318      -0.54485830
Cr       3.21022000      -1.45004000       3.24201000      -2.59584032      -0.14617070      -0.29956473
Cr       4.30155000       0.05712000       1.13830000       1.05091367       0.12674597      -2.15519808
Cr       2.69579000       1.41096000       3.25766000       0.28248590       0.13174525       0.47623097
O       -0.05035000       1.39595000       0.88613000       0.09132439      -0.17086963       0.04651314
O       -2.00580000       2.99248000       3.51141000       1.41457361      -0.20174561      -0.26830520
O       -1.48117000       0.07833000       3.08578000       0.21567941       1.46564575       0.14987853
O        2.85017000       1.44179000       1.21175000       0.14173161      -0.27212124       0.76479695
O        2.13905000       4.59935000       1.11289000       0.44972023      -2.41288743       0.65766764
O        1.61790000      -0.21240000       3.02848000       0.06583129      -0.02168201       0.54965006
O       -0.72383000       4.30932000       1.00461000      -0.91996168       0.57172239      -0.79872263
O        1.23628000       2.75510000       3.35464000      -0.37737394      -0.46171897       0.76627049
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.2140735 magmom=20.0034871 free_energy=-108.21521782 stress="-0.04033003955440067 -0.020523492973940165 0.027273281174319833 -0.020523492973940165 -0.04377280184938772 -0.029493456274755303 0.027273281174319833 -0.029493456274755303 -0.09886394976286" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.76142000       3.11176000       0.01035000      -1.44858176      -0.31513729       0.35680050
Cr      -0.36306000       2.70133000       2.26232000      -1.15352473       2.02653992       1.17853698
Cr       1.31832000      -0.02189000       1.10724000       1.56474608      -0.29171245      -2.13151663
Cr       3.10415000      -1.50012000       3.24585000       0.28565994       1.49679146      -0.85769415
Cr       4.44386000       0.10335000       1.15846000      -2.07759836      -1.39782578      -0.93027731
Cr       2.62168000       1.35764000       3.17261000       2.25612537       1.66163571       1.69481105
O       -0.07086000       1.52774000       0.87312000       0.66353051      -2.41668197      -0.97380548
O       -1.99321000       2.96925000       3.51074000       0.53934884      -0.22270251      -0.91811156
O       -1.44869000       0.08900000       3.09782000      -0.94229101       0.61518186      -0.03064267
O        2.60713000       1.52833000       1.21272000       1.49095904      -1.22724454       0.37484368
O        2.28891000       4.47599000       1.20200000      -1.18452116       0.92203878       1.82629713
O        1.41197000      -0.07776000       2.97798000       1.33643325      -2.25327541       0.23390717
O       -0.61497000       4.12387000       0.88346000      -1.05501236       1.56165154      -0.18616423
O        1.20414000       2.71368000       3.47597000      -0.27527365      -0.15925933       0.36301551
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.98640072 magmom=20.0028937 free_energy=-107.98640316 stress="-0.03477753130124816 -0.010856170801765328 0.007993863874761142 -0.010856170801765328 -0.02278643240454405 -0.02229804953848444 0.007993863874761142 -0.02229804953848444 -0.1408695332087073" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.65184000       3.17941000       0.11459000       0.35952144      -1.81146614      -1.45539853
Cr      -0.27161000       2.80122000       2.27463000       0.01730218       0.59490653      -2.34199992
Cr       1.38498000      -0.06801000       0.96453000       1.56638648      -0.06485227       0.92619029
Cr       2.97791000      -1.46705000       3.22399000       1.33301270       0.40572164       3.96318318
Cr       4.48694000       0.07718000       1.13778000      -3.19055717      -2.10453396       1.76643989
Cr       2.66077000       1.38653000       3.17377000       0.11991423      -0.37562520       0.55561334
O       -0.01623000       1.32808000       0.81870000       0.96488190       0.73597770       0.33426648
O       -1.80446000       2.85169000       3.32496000      -2.56315245       1.20648716       1.46460949
O       -1.53809000       0.22679000       3.12589000      -0.39978768      -0.74081790      -0.38121049
O        2.60539000       1.47155000       1.23875000       1.43780405      -0.75878630      -0.43043872
O        2.31106000       4.37742000       1.48701000      -1.08972011       1.82947296      -3.87505434
O        1.39337000      -0.24753000       3.06398000       0.60785824       0.32064147      -0.73032541
O       -0.63882000       4.16379000       0.78600000      -0.60663995       1.13952628       0.88441711
O        1.05771000       2.66739000       3.60802000       1.44317614      -0.37665197      -0.68029237
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.90584987 magmom=20.0087443 free_energy=-108.90584987 stress="-0.06473470588293333 0.04102571544651515 -0.0163847748239468 0.04102571544651515 -0.06697619998125989 -0.007775885147905412 -0.0163847748239468 -0.007775885147905412 -0.04988214313107021" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53733000       3.11741000       0.14422000       1.31535605      -2.55909351      -2.39614970
Cr      -0.20883000       2.94202000       2.18519000      -0.60766100      -0.10064293      -0.90444793
Cr       1.53225000      -0.10325000       0.85928000      -2.23964763       2.30552070       1.74952827
Cr       2.93492000      -1.41032000       3.34870000       1.87093053      -1.52583197      -0.39124352
Cr       4.37504000      -0.04481000       1.19533000       1.16807908       1.12536884      -0.94799294
Cr       2.71403000       1.40837000       3.20894000      -2.09537604      -0.14742611      -0.36119552
O        0.10954000       1.22999000       0.87194000      -1.21986752       0.98959636       0.65302483
O       -1.90752000       2.92739000       3.27821000      -0.29627033       0.96458920       0.16109877
O       -1.64345000       0.20714000       3.13159000       0.98388290      -1.16362192       0.65041611
O        2.85852000       1.33801000       1.18822000       0.30230867       0.14271533       0.28173509
O        2.16384000       4.51102000       1.29582000       0.58691056      -1.51429138       1.78863890
O        1.43960000      -0.32272000       3.09331000      -0.81219856       1.58923422      -0.12250352
O       -0.72322000       4.35035000       0.87796000       0.12080545      -0.45274378      -0.23527295
O        1.09236000       2.59757000       3.54601000       0.92274784       0.34662694       0.07436410
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.142149 magmom=20.0032741 free_energy=-109.14214904 stress="-0.05592353231022756 0.03253032461176206 -0.014918943217424336 0.03253032461176206 -0.07473425812455846 0.006274027188700818 -0.014918943217424336 0.006274027188700818 -0.01951461779188134" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.50434000       2.94079000       0.06210000       0.74228124      -1.05447512      -0.66531395
Cr      -0.19005000       3.03969000       2.08187000      -0.00136764      -1.04708814       1.38700313
Cr       1.54903000      -0.01702000       0.86564000      -1.47126558       0.62203443       2.16977044
Cr       2.97757000      -1.42721000       3.45138000      -0.26661028      -0.51840607      -1.66314034
Cr       4.34026000      -0.10224000       1.21028000       1.66000730       0.41309764      -0.63550371
Cr       2.67892000       1.41339000       3.21658000       0.27726018      -0.02182190       0.06997854
O        0.01623000       1.32202000       1.02308000      -0.14889215      -0.20684264      -0.29695828
O       -2.00967000       3.10024000       3.29003000       0.75834896      -0.72253923       0.30934908
O       -1.60066000       0.04057000       3.22354000      -0.46442249       1.27139641      -0.67482163
O        3.04722000       1.29433000       1.17560000      -1.54890720       0.53454603       0.59354765
O        2.14036000       4.37132000       1.24382000      -0.36222693       0.39654937       1.49016934
O        1.40778000      -0.14368000       3.12791000       1.30189868      -0.59475975      -1.01617107
O       -0.73445000       4.41558000       0.95122000       0.30957265       0.35707647      -2.00883215
O        1.20307000       2.63990000       3.42281000      -0.78567673       0.57123249       0.94092294
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.34017252 magmom=19.999238 free_energy=-109.3401728 stress="-0.04717877056042485 -0.007814453111760199 -0.018973597152367086 -0.007814453111760199 -0.05550983805118323 0.01609313906797959 -0.018973597152367086 0.01609313906797959 -0.041714845012922566" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02703000      -0.13285000       4.31923000       0.07751094       1.01345475       0.65996952
Cr      -0.19115000       3.06573000       2.06292000      -0.40046536       0.57155628       1.16625082
Cr       1.47380000       0.09544000       0.97603000       0.12938211      -1.70137049       1.17691091
Cr       3.01428000      -1.46399000       3.44280000       0.19250953       1.17020745      -2.14754106
Cr       4.38793000      -0.11137000       1.18725000      -1.51229197       0.30073292      -0.05401130
Cr       2.66189000       1.43393000       3.22014000       1.36434914       1.30962919      -0.18051856
O       -0.11005000       1.40464000       1.09764000       0.79836311      -1.37165257      -1.37102900
O       -1.93759000       3.10519000       3.35564000       0.12343271      -0.28927619       0.50412092
O       -1.59273000       0.08941000       3.22148000      -0.62612975       0.65336133      -1.19873791
O        2.93058000       1.34570000       1.23941000       0.50470216      -0.70701243       0.41308033
O        2.16183000       4.21618000       1.35608000       0.04110988       1.38117754      -0.18319306
O        1.51170000      -0.07821000       3.08857000      -0.25160211      -1.28451719      -0.69056011
O       -0.65454000       4.43866000       0.79233000      -0.38580226       0.14004162       0.45400222
O        1.14758000       2.76881000       3.42939000      -0.05506814      -1.18633220       1.45125629
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.38977393 magmom=20.0006018 free_energy=-109.38977393 stress="-0.0307201190499359 -0.009102874246609405 -0.012741929775386723 -0.009102874246609405 -0.02856350715387995 0.02152606270261212 -0.012741929775386723 0.02152606270261212 -0.10465485273794355" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01872000      -0.26585000       4.25251000      -0.94827863       1.65526017       0.36934003
Cr      -0.21679000       3.08876000       2.11627000      -0.02273140      -0.78790979       0.62158049
Cr       1.40594000       0.10559000       1.14454000       0.43052497      -2.02845828      -1.64599259
Cr       3.06067000      -1.44732000       3.30537000       0.19212454      -0.02472560       0.36249289
Cr       4.35420000      -0.10008000       1.15708000      -0.72972053       0.70287174      -0.43544404
Cr       2.71767000       1.52217000       3.22143000       0.09764655      -0.34307807       0.81736495
O       -0.10509000       1.36214000       0.96667000       0.47256203       0.53864089       0.00388347
O       -1.82216000       3.03519000       3.48724000      -0.87586987       0.95785986      -0.40139191
O       -1.60324000       0.22528000       3.07108000       0.60237807      -0.90427668       0.90227672
O        2.83313000       1.34423000       1.30769000       1.21232732       0.08048672      -0.39542458
O        2.22618000       4.28024000       1.36353000      -0.36967797      -0.02487217      -0.81131346
O        1.54265000      -0.19514000       3.03816000      -0.16830969       0.47474355       1.08452365
O       -0.61945000       4.43403000       0.78776000      -1.01480830       0.01401580       0.98163102
O        1.05920000       2.75120000       3.59469000       1.12183290      -0.31055814      -1.45352664
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.01656246 magmom=19.9925135 free_energy=-109.01656247 stress="-0.05663625569863265 0.012154780975568208 -0.020399731069399962 0.012154780975568208 -0.039878632886364986 0.028254230296655195 -0.020399731069399962 0.028254230296655195 -0.06335362394023519" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.06665000      -0.32416000       4.20705000      -1.02248405       0.79451357       1.64414813
Cr      -0.25861000       3.05190000       2.22873000       0.01877941      -1.93385901      -0.28368152
Cr       1.35642000      -0.00057000       1.25549000       0.98126103       0.72567035      -1.66854474
Cr       3.12631000      -1.41844000       3.15147000      -0.47732554      -0.53601906       2.50689312
Cr       4.26473000      -0.03145000       1.08723000       2.24503312       1.38170439      -0.87962343
Cr       2.80866000       1.60570000       3.27296000      -0.68557033      -2.82480658       0.57333746
O       -0.00403000       1.43476000       0.83099000      -0.25549865       0.08468285       0.90844609
O       -1.82844000       3.09492000       3.53021000      -0.07610635       0.38431699      -0.23221353
O       -1.49385000       0.18570000       3.05575000      -1.17014389       0.46342809      -0.61316094
O        2.89608000       1.35769000       1.28034000      -0.31765627      -0.25626877       0.94921043
O        2.25099000       4.37138000       1.19589000      -1.63276497      -0.63263673       0.32047549
O        1.50862000      -0.23358000       3.19236000       1.80791620       0.80212280      -1.14340818
O       -0.74934000       4.40781000       1.02989000      -0.43816477       1.15749384      -1.76774206
O        1.16555000       2.68442000       3.48278000       1.02272506       0.38965726      -0.31413631
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.61087967 magmom=20.007564 free_energy=-108.61087973 stress="-0.07261096934613316 0.04372193080998926 -0.01660858937431825 0.04372193080998926 -0.0433273068142376 0.014716346240420689 -0.01660858937431825 0.014716346240420689 -0.001314219251900346" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15457000      -0.33102000       4.24097000       0.30764051       0.66958073       0.95746295
Cr      -0.31227000       2.90383000       2.33012000      -0.27762610      -0.22775068      -2.02274895
Cr       1.35118000      -0.08619000       1.27710000       0.52916173       2.71856119      -0.59485959
Cr       3.17203000      -1.41210000       3.11935000      -0.60837066       0.59762929       0.84256112
Cr       4.27231000       0.11146000       0.95676000       0.98178231      -0.52716900       0.28311229
Cr       2.88078000       1.53999000       3.36870000      -0.92555548      -2.00280540      -0.77370780
O        0.05373000       1.56726000       0.89640000      -0.28129700      -1.31420726      -0.45601523
O       -1.83520000       3.19777000       3.47345000       0.06537714      -0.69859847       1.23373208
O       -1.50824000       0.15929000       3.00418000      -0.31117312       0.98682550      -1.05116171
O        2.89294000       1.38132000       1.31939000      -0.40416947      -0.09057813       0.61584130
O        2.06260000       4.39490000       1.04542000       0.91044046       0.24230275       0.86244002
O        1.64547000      -0.11612000       3.26522000      -0.18017337      -0.13698944      -0.86578695
O       -0.90341000       4.49314000       1.09007000       1.26615291      -0.56773334      -0.97917670
O        1.40722000       2.73581000       3.21136000      -1.07218985       0.35093226       1.94830718
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.53423312 magmom=20.0076962 free_energy=-108.53423312 stress="-0.0661835759761949 0.010843167934459975 0.003260604918446205 0.010843167934459975 -0.05527552175600939 -0.0014023714120095592 0.003260604918446205 -0.0014023714120095592 -0.035340986776930504" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.22495000      -0.27952000       4.33742000      -0.15162985       1.28886346      -0.54289605
Cr      -0.37454000       2.74220000       2.32239000      -0.04553869       1.06119138      -0.34661086
Cr       1.37614000      -0.02767000       1.25643000       0.62967348       1.61979426      -1.05240025
Cr       3.18788000      -1.37363000       3.14058000       0.32662192      -0.18300826      -0.77121898
Cr       4.34302000       0.21945000       0.84206000      -0.83100068      -1.98234969       1.67769473
Cr       2.88584000       1.37673000       3.42007000      -1.23604414       3.09041385      -1.18725044
O        0.03949000       1.50866000       0.97221000       0.39557131      -0.97699577      -2.08126927
O       -1.78554000       3.16683000       3.53065000      -0.87715856       0.06913811       0.91290560
O       -1.51554000       0.22919000       2.86236000       1.42884482      -0.61547671       0.82269191
O        2.80403000       1.42281000       1.37084000       0.98814042      -0.45356071       0.17126467
O        2.03884000       4.42120000       1.05076000       1.63992203      -0.00535253       0.74668675
O        1.69180000      -0.05521000       3.19235000      -1.37563702      -1.56225016       0.47324309
O       -0.79407000       4.49730000       0.98147000      -0.08495418      -0.49446785       0.17751165
O        1.38832000       2.84488000       3.26050000      -0.80681086      -0.85593938       0.99964747
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.53731215 magmom=20.0020205 free_energy=-108.53731215 stress="-0.029090170225257603 0.0013793434889197956 -0.016767520360262144 0.0013793434889197956 -0.021292819522585313 -0.004764062426643544 -0.016767520360262144 -0.004764062426643544 -0.10971168237508712" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.25454000       2.74586000       0.07788000       1.76942119       0.22491628       0.57509180
Cr      -0.43915000       2.62631000       2.27962000      -0.61895973       0.95707398      -0.47284865
Cr       1.44291000       0.10590000       1.18293000       0.38073863      -2.68624916       0.41976525
Cr       3.21069000      -1.34632000       3.11847000      -0.57845751      -1.74396988       0.47760460
Cr       4.36864000       0.21002000       0.84653000      -0.65154780      -2.60382231       3.47699882
Cr       2.80732000       1.34616000       3.39695000      -0.64061062       1.65059843      -1.03896442
O        0.05567000       1.38448000       0.82090000       0.08905034       1.94689915      -0.16553322
O       -1.80338000       3.07930000       3.62637000      -0.19385941       0.00259105      -1.84621339
O       -1.31559000       0.20688000       2.92176000      -2.22741309       0.83477113      -0.70349389
O        2.85234000       1.43879000       1.36283000       0.96490888       0.16495341       0.53249492
O        2.31415000       4.44349000       1.19378000      -0.47762754       0.84751313      -0.27631509
O        1.51841000      -0.21876000       3.16764000       1.08299028       0.76133100       0.02053170
O       -0.60734000       4.41023000       0.90248000      -0.58930744       0.08685397       1.15741478
O        1.15472000       2.81408000       3.41501000       1.69067383      -0.44346017      -2.15653321
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.83218092 magmom=19.9987865 free_energy=-108.83218092 stress="-0.02033707720920952 -0.007043989497465522 0.0026764703306298553 -0.007043989497465522 -0.03216541117312502 -0.019056545210823738 0.0026764703306298553 -0.019056545210823738 -0.0738485358442699" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.29313000       2.90587000       0.17872000       1.05758361      -1.22479911      -1.13653714
Cr      -0.51120000       2.58413000       2.21599000       0.53449991       0.69477764      -1.29489674
Cr       1.51701000       0.10452000       1.11710000      -0.68904666      -1.36191150      -0.08230724
Cr       3.20026000      -1.41042000       3.12477000      -0.95374911      -0.34848583       1.57811403
Cr       4.38238000       0.07663000       1.00167000       3.13951303       1.27537503      -0.88700977
Cr       2.69464000       1.41631000       3.33299000       0.21951393      -0.20757458       0.48105728
O        0.07104000       1.52145000       0.71768000       0.49664707      -1.56011971       0.55630086
O       -1.84545000       2.97700000       3.43241000      -1.28285539       1.14852563       1.67176913
O       -1.41789000       0.26300000       3.01205000      -0.89416312       0.00127347      -0.13229353
O        2.99381000       1.49242000       1.35662000      -0.48977815      -0.28106236      -0.36957693
O        2.45973000       4.51010000       1.24723000      -2.70054783      -0.58543595      -0.51960946
O        1.51285000      -0.22988000       3.14217000       0.99320377       0.94335740      -0.52291658
O       -0.52488000       4.34337000       0.98892000      -0.87406537       1.18660360      -0.61557605
O        1.14315000       2.71646000       3.28990000       1.44324429       0.31947625       1.27348214
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.06542938 magmom=19.9998126 free_energy=-109.06542938 stress="-0.06605368038459895 0.028296060329081045 0.010426727654819116 0.028296060329081045 -0.10001756591603862 -0.026291592327047395 0.010426727654819116 -0.026291592327047395 -0.04014213553926801" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.39868000       2.97727000       0.19087000       0.08634137      -1.61640708      -2.95297837
Cr      -0.54366000       2.61432000       2.11387000      -0.18766648       1.19236992       0.92456865
Cr       1.54487000       0.02246000       1.06357000      -0.42567277       1.08543241      -0.13902430
Cr       3.13567000      -1.47205000       3.20273000      -0.75482080       1.98881723      -0.14104606
Cr       4.51911000      -0.00250000       1.10568000      -1.70236642       1.04754493      -0.25678740
Cr       2.62507000       1.46275000       3.29496000       2.85603875      -0.19350545      -0.22371042
O        0.11339000       1.43369000       0.80029000       0.16395898      -1.32145642      -0.05207703
O       -1.96087000       3.02547000       3.39840000       1.00286700       0.31493550       0.59123341
O       -1.60288000       0.28620000       3.13150000       1.43654323      -0.75903769      -0.35004146
O        3.00294000       1.51989000       1.26651000       0.33573517      -1.38092096       0.49110967
O        2.20506000       4.50560000       1.20761000       1.34729807       0.62471597       1.21226787
O        1.65518000      -0.07693000       3.04730000      -1.93951575      -1.68680338       0.32463079
O       -0.61078000       4.42754000       0.99990000      -0.33202956      -0.37590400      -0.34132405
O        1.25390000       2.71548000       3.33405000      -1.88671079       1.08021903       0.91317871
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.62072255 magmom=20.0007951 free_energy=-109.62072255 stress="-0.046627574095231744 0.01880287189246196 0.007904094964060034 0.01880287189246196 -0.06387226931254444 -0.008676833845608441 0.007904094964060034 -0.008676833845608441 -0.034566881054815604" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.50741000       2.95984000       0.06181000       1.09555602      -0.52306715      -0.12887229
Cr      -0.56241000       2.71288000       2.05922000       0.68808875       0.35410980       1.00603483
Cr       1.54460000      -0.00948000       1.01768000       0.61309716      -0.14132012       0.86890690
Cr       3.03654000      -1.42521000       3.27354000       0.26397380       0.34000269       0.22308084
Cr       4.54675000      -0.00814000       1.18032000      -3.85034145      -0.39242603      -0.16091486
Cr       2.68724000       1.47993000       3.25086000      -0.08931656       0.00855823      -0.00988460
O        0.11049000       1.23526000       0.95335000      -0.10807833       2.14864708      -0.64415498
O       -1.89794000       3.10750000       3.42418000      -0.62026026      -0.31700970      -0.36639885
O       -1.53042000       0.17792000       3.23036000      -0.94100920       0.64552571      -1.38367721
O        2.99099000       1.40200000       1.21841000       0.39056002      -0.20002665       1.00068517
O        2.20269000       4.45055000       1.29930000       0.96001206      -0.35564447       0.18865709
O        1.51940000      -0.12110000       3.04213000       0.05911418       0.19002074       0.33401827
O       -0.70327000       4.39208000       0.93171000       1.04493266      -0.68028997      -0.60542487
O        1.10273000       2.84319000       3.50287000       0.49367116      -1.07708016      -0.32205543
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.90194551 magmom=19.9990615 free_energy=-108.90194555 stress="-0.03387855203061019 0.001369299446464623 0.029575638006962987 0.001369299446464623 -0.03015751520944925 -0.007510631988869925 0.029575638006962987 -0.007510631988869925 -0.08775553049188521" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10038000       0.03538000       4.28740000      -1.95429638       0.20523293       2.64753988
Cr      -0.53499000       2.84181000       2.07443000       1.40138769      -0.25788337       1.40027665
Cr       1.55772000      -0.03117000       1.01934000      -1.05230668      -0.57853324       0.39281290
Cr       2.95022000      -1.36507000       3.35394000       1.18137413      -1.65789131       0.32464415
Cr       4.38726000      -0.02348000       1.22768000       1.62758000      -0.84949679      -1.62625759
Cr       2.75411000       1.49828000       3.21278000      -1.24387231      -0.13687130       0.76602152
O        0.02895000       1.36441000       1.02512000       0.42419111      -1.10829701      -1.25005198
O       -1.89862000       3.09166000       3.37334000      -1.29489029       0.34136907       1.25344658
O       -1.50785000       0.13290000       3.16935000      -0.89138506       0.57815995       0.15296632
O        2.97636000       1.29499000       1.28272000      -0.41754247       0.95887019      -0.54704238
O        2.39363000       4.27505000       1.37574000      -1.79366180       0.76350278       0.01876206
O        1.40205000      -0.15787000       3.07671000       3.21943855       0.07518757      -2.72698912
O       -0.61696000       4.24680000       0.80474000      -0.22308755       2.20712015      -0.14161506
O        1.02054000       2.81868000       3.57935000       1.01707107      -0.54046961      -0.66451392
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.08899393 magmom=20.0045931 free_energy=-109.08899393 stress="-0.04268763734415866 -0.014756133077385124 -0.0025852753037500825 -0.014756133077385124 -0.03775368513353856 0.006394232606442987 -0.0025852753037500825 0.006394232606442987 -0.09264554129237235" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16929000       0.00102000       4.26222000      -0.72684214       0.42863220       0.25635344
Cr      -0.42304000       2.97077000       2.16848000       0.27615822      -0.46683248       0.25297815
Cr       1.52251000      -0.07829000       1.03964000      -0.38987107       1.13959899      -1.55279171
Cr       2.94105000      -1.41024000       3.44286000       2.20575581      -0.69243244      -2.25257331
Cr       4.28400000      -0.08530000       1.17718000       2.01591343       0.66481194      -0.70583006
Cr       2.75243000       1.50915000       3.20547000      -0.76497666      -0.58502729      -0.54271453
O       -0.06368000       1.43805000       0.94607000       0.04983961      -1.09586070       1.28346383
O       -2.03273000       3.08698000       3.45048000       1.27300585       0.69018457      -0.16546820
O       -1.57945000       0.16391000       3.14326000       0.39970610      -0.03820305       0.03453199
O        2.87258000       1.35742000       1.22797000       0.73950016      -0.24284871      -0.45435643
O        2.29870000       4.20831000       1.37608000      -0.85636605       0.66200589      -0.57354711
O        1.65346000      -0.12230000       2.87929000      -1.95358672       0.15573116       2.86391484
O       -0.56156000       4.38650000       0.78095000      -1.87154511      -0.42261095       1.14396722
O        1.10831000       2.70584000       3.49208000      -0.39669142      -0.19714913       0.41207187
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.94228904 magmom=19.9996796 free_energy=-108.94228904 stress="-0.08110256255338313 0.023692765595996396 -0.005344410821401496 0.023692765595996396 -0.05257295752945243 0.018058916629024875 -0.005344410821401496 0.018058916629024875 -0.028275546286138896" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17663000      -0.00832000       4.26506000      -2.01830916       1.63407673       0.16737334
Cr      -0.26048000       3.09135000       2.28902000      -0.99682466      -0.34400958      -1.47499364
Cr       1.44717000      -0.06813000       1.01506000      -0.64707253       1.50912491       1.74006285
Cr       3.05855000      -1.49770000       3.42512000      -0.26243116       2.35581931      -1.44675993
Cr       4.28040000      -0.12457000       1.07216000      -0.91698931       1.79931648       1.32438216
Cr       2.71518000       1.48852000       3.17566000       1.43174758      -0.75039247      -0.04820461
O       -0.20484000       1.36319000       1.04484000       0.97549721      -0.35929103      -0.66730763
O       -1.94523000       3.11813000       3.48053000       0.27314942      -1.02651789      -0.77384893
O       -1.57307000       0.16418000       3.14900000      -0.40129165      -0.44534759      -0.73104798
O        2.82970000       1.40803000       1.07545000       0.48243695      -2.07605307       2.03293448
O        2.04339000       4.26654000       1.21801000       0.70153665       0.14979321       0.74592464
O        1.63425000      -0.07279000       3.08812000       0.20052926      -1.75977409      -1.28803799
O       -0.79816000       4.46407000       1.00283000       0.68575510      -1.27310072      -1.08430742
O        1.15320000       2.59769000       3.41218000       0.49226630       0.58635582       1.50383067
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.78982019 magmom=19.9958109 free_energy=-108.78982019 stress="-0.06623194186107549 0.03389533237782719 -0.012686808031096194 0.03389533237782719 -0.059010481892309494 0.011201518395043603 -0.012686808031096194 0.011201518395043603 -0.034621936926218816" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05578000       0.04699000       4.29801000      -0.52121787       0.12188603       0.64017646
Cr      -0.14666000       3.17700000       2.33508000       0.03414788      -1.03594965      -0.65487177
Cr       1.33729000       0.01624000       1.05773000      -0.26152453      -1.36418107       0.69291775
Cr       3.18348000      -1.47439000       3.31943000      -1.51551508      -0.75047759       0.21313794
Cr       4.25288000      -0.07565000       1.04159000       0.07842172      -0.37595041       1.31620737
Cr       2.74596000       1.41696000       3.14290000       0.34399258      -0.91321523       1.37921366
O       -0.17056000       1.26969000       1.08161000       1.04279752       0.96229230      -1.31512186
O       -1.79874000       2.97629000       3.37964000      -1.72807411      -0.06948304       0.93242397
O       -1.56782000       0.06860000       3.07223000       0.00822303       0.74976843      -0.21143306
O        2.84344000       1.25565000       1.15629000      -0.64262172       1.21026639       0.45770476
O        1.94351000       4.34282000       1.10993000       0.56735168      -0.17642655       1.58775495
O        1.56660000      -0.26993000       3.20918000       0.98092207       0.09193418      -1.93882490
O       -0.94760000       4.29774000       1.11368000       0.59687713       1.47314787      -2.66850718
O        1.23370000       2.63373000       3.50222000       1.01621970       0.07638834      -0.43077811
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.05660325 magmom=20.0032778 free_energy=-109.05660325 stress="-0.047606982557212955 0.019939504512335476 -0.020873184382943655 0.019939504512335476 -0.053003974017294564 0.006846584894318788 -0.020873184382943655 0.006846584894318788 -0.06420766818369492" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.44974000       2.97930000       0.00309000       2.04082376      -1.47084960      -0.53828194
Cr      -0.08644000       3.19561000       2.32856000      -0.68445523      -0.41172534      -0.99027543
Cr       1.24501000       0.01906000       1.13069000       2.24593002      -1.85163208      -0.94079294
Cr       3.22031000      -1.48577000       3.23953000      -0.79841124      -1.65908713       0.53276804
Cr       4.24018000      -0.02419000       1.07400000       1.26024675       0.14559003      -1.60327428
Cr       2.79448000       1.31224000       3.18787000      -1.52557057       0.75895510       1.79570509
O       -0.01334000       1.37060000       0.90166000      -1.33613574       0.82823499       0.18805445
O       -1.86274000       2.84049000       3.37857000       0.30209381       1.20340672       0.60330345
O       -1.52155000       0.08544000       3.00958000       0.21507139       0.30461393       0.11160819
O        2.75827000       1.30690000       1.27122000       0.27975999       0.34703025      -0.78351756
O        2.01363000       4.34691000       1.21662000       0.22635880       0.79163743       0.73650617
O        1.56898000      -0.40797000       3.05974000      -1.31133042       1.35187546       0.87590414
O       -0.86204000       4.28999000       0.89004000       0.13534028       0.62335580       0.16788321
O        1.37821000       2.72419000       3.48390000      -1.04972160      -0.96140555      -0.15559060
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.7424619 magmom=19.99626 free_energy=-108.7424619 stress="-0.03573723775934904 0.005390583402526204 -0.03010667118330229 0.005390583402526204 -0.008540555874025647 0.009719871646999882 -0.03010667118330229 0.009719871646999882 -0.10456291063362895" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.40598000       2.94904000       0.05090000       1.12264911      -0.73352890      -0.10090420
Cr      -0.08570000       3.17284000       2.25791000      -2.04870093      -0.31160565      -1.62749343
Cr       1.28507000      -0.05362000       1.14571000       2.31073426       2.66692314      -0.93915550
Cr       3.20213000      -1.58290000       3.21136000      -0.06351391       1.58928295       0.87148534
Cr       4.30287000       0.03733000       1.02386000      -0.03835396       1.08185486      -0.20611109
Cr       2.76982000       1.26072000       3.30332000      -0.83132265       1.29798774      -2.16066438
O       -0.05204000       1.56581000       0.77785000      -0.24079638      -1.65277280       1.25451363
O       -1.87044000       2.91636000       3.46154000       0.30796247      -0.15683735      -0.06558452
O       -1.44699000       0.16387000       3.00228000      -1.26087900      -0.57609868      -0.51751577
O        2.70992000       1.44147000       1.27000000       1.01883485      -1.75894010       0.70723814
O        2.17420000       4.39098000       1.34098000      -0.64501282       0.50385890      -1.24014139
O        1.33036000      -0.28858000       3.07942000       1.17945337      -0.31253563       0.28058350
O       -0.71801000       4.38648000       0.79742000      -1.45458894      -0.66985159       2.08742250
O        1.27758000       2.67184000       3.38655000       0.64353454      -0.96773689       1.65632715
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.48255577 magmom=20.0054688 free_energy=-108.48258766 stress="-0.038108145991740595 0.01044581553165053 -0.014186748748493535 0.01044581553165053 -0.04751830347017881 0.014084739427000384 -0.014186748748493535 0.014084739427000384 -0.06401734659490046" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.41748000       2.85477000       0.09700000      -1.02757770       0.06898565      -0.25536485
Cr      -0.19599000       3.08901000       2.10634000       0.17667464      -2.02408871       2.36994812
Cr       1.46151000      -0.00365000       1.10512000      -0.73815385       0.06493823       0.79430829
Cr       3.17801000      -1.60839000       3.22726000      -0.29585701       2.06349806      -0.66374189
Cr       4.37269000       0.15772000       0.96045000      -1.75761408      -2.36292302       2.91551676
Cr       2.68897000       1.28681000       3.33937000       0.17665904       0.66873259       0.13712329
O       -0.14324000       1.50176000       0.87764000       1.80100522      -0.18361934      -0.71913513
O       -1.78812000       3.01748000       3.50593000      -0.61296801      -0.64078225      -0.52482294
O       -1.55625000       0.12364000       3.02076000      -0.25106264      -0.27174083       0.55114390
O        2.82686000       1.36227000       1.32107000       0.24243917       0.40326632       0.22473511
O        2.28191000       4.44569000       1.22590000      -1.22144815      -0.02210619       0.83868074
O        1.24536000      -0.13880000       3.18459000       3.09061283      -1.06583199      -1.87909037
O       -0.74767000       4.42923000       1.03484000      -0.52400156       2.01084432      -2.89755983
O        1.14758000       2.53016000       3.45721000       0.94129210       1.29082715      -0.89174119
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.18564269 magmom=20.0005713 free_energy=-109.18564269 stress="-0.06074060002910761 0.002910977559809366 -0.004329058413383135 0.002910977559809366 -0.08604047837820003 0.0015559069940461836 -0.004329058413383135 0.0015559069940461836 -0.025599021535790967" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.39467000       2.76146000       0.10587000       0.04744832       0.33091859      -1.32625139
Cr      -0.33771000       2.91936000       2.04521000      -0.35179275       0.98695658       1.11408753
Cr       1.60530000       0.06288000       1.08469000      -3.18439525      -1.18917845      -0.27651104
Cr       3.14208000      -1.52388000       3.21227000      -0.91883642      -0.41054576      -0.08076119
Cr       4.36064000       0.15677000       1.04604000       0.50127779      -2.35882608       0.85198203
Cr       2.62451000       1.36446000       3.36855000       1.85799392       1.55793848       0.21289356
O        0.03543000       1.39530000       0.93739000       0.73351514      -0.12164772      -1.30689275
O       -1.78247000       3.01843000       3.43067000      -0.81735414       0.25724743       0.34415482
O       -1.67050000       0.03905000       3.17699000       1.49225117       1.93724942      -0.69964077
O        2.96009000       1.38864000       1.37198000      -0.25877822       1.10991685       0.14900789
O        2.22261000       4.42227000       1.16483000       0.34145347       0.14462630       0.91922176
O        1.56160000      -0.15072000       3.10921000      -0.82298312      -1.40453048       0.05096592
O       -0.77978000       4.60428000       0.96136000       1.18656499      -1.55015466      -0.07324130
O        1.15227000       2.66863000       3.38753000       0.19363509       0.71002951       0.12098496
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.07524455 magmom=20.0028081 free_energy=-109.07524455 stress="-0.0515085497807309 0.026468600377419764 -0.008913305152879686 0.026468600377419764 -0.06139221074196317 0.012737117790303487 -0.008913305152879686 0.012737117790303487 -0.04855660488364555" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.37984000       2.71604000       0.05345000       1.16328358       0.59141531      -0.31981524
Cr      -0.46404000       2.80405000       2.05939000       0.35148922      -0.21483115       0.25489679
Cr       1.58170000       0.05398000       1.05869000      -0.11822585      -0.82689313       0.26104353
Cr       3.09638000      -1.45302000       3.19095000       1.60839777       0.06510933       0.74433229
Cr       4.37001000       0.03743000       1.17007000       1.35661690       0.63364878      -1.00232046
Cr       2.65064000       1.48769000       3.38692000       0.78777471      -0.40222198      -2.02305513
O        0.23908000       1.39137000       0.87287000      -1.75235535       0.48562136      -0.10434112
O       -1.87588000       3.03730000       3.36840000      -0.12707994       0.62956204       1.06887758
O       -1.54667000       0.20593000       3.22228000      -0.99893738       0.40086434      -2.09429025
O        3.00852000       1.53635000       1.38387000       0.39942962      -1.99946447       0.38437341
O        2.22961000       4.38334000       1.21212000       0.70783859       0.60339370      -0.20186858
O        1.67810000      -0.25406000       3.07692000      -2.19293425       2.13223729       0.37061797
O       -0.62803000       4.50676000       0.91123000      -0.77517822      -0.15264558       1.04936403
O        1.16305000       2.88722000       3.30753000      -0.41011941      -1.94579583       1.61218517
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.58492335 magmom=20.0005999 free_energy=-109.58492335 stress="-0.015741337055216128 0.013286781353338295 0.0031644232815408713 0.013286781353338295 -0.022496207735201525 -0.009288740128144554 0.0031644232815408713 -0.009288740128144554 -0.058859019976781835" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12158000      -0.16349000       4.35086000       0.20905044       0.09039622       0.25470513
Cr      -0.54495000       2.70761000       2.10252000       0.19210918       0.20429528       1.27049729
Cr       1.53227000       0.00573000       1.05898000       0.36111077       0.40725381       1.15298499
Cr       3.09193000      -1.39069000       3.21105000      -1.29901998       0.58685479       0.83083431
Cr       4.45801000      -0.03693000       1.20711000       0.53154802       1.13483761      -2.95263312
Cr       2.70989000       1.56507000       3.31272000      -0.85669305      -1.38299286      -0.11766658
O        0.10910000       1.48502000       0.83438000       0.39482477      -1.49320474      -0.46073920
O       -1.92211000       3.14037000       3.42565000       0.29279283       0.14341723       0.29610974
O       -1.46890000       0.38994000       3.04705000      -0.25152535      -0.78508409       1.44875250
O        3.02783000       1.40954000       1.33972000      -0.59595361      -0.14538002      -0.63790858
O        2.34299000       4.41074000       1.22612000      -1.10988713       0.00307712       0.50421421
O        1.46446000      -0.03952000       3.12017000       1.52949042      -0.35888232      -0.76658978
O       -0.59641000       4.34285000       1.01855000      -0.28812914       1.45613883      -1.14743107
O        1.13076000       2.80009000       3.45557000       0.89028182       0.13927314       0.32487015
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.04432687 magmom=19.9994281 free_energy=-109.04432687 stress="-0.05256594256627416 0.0020567606200336337 0.006159746592152995 0.0020567606200336337 -0.028310392007437787 -0.013247888606314633 0.006159746592152995 -0.013247888606314633 -0.0827736337606656" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04630000      -0.13437000       4.30650000      -0.40093650       0.36554696       1.05048082
Cr      -0.59534000       2.63821000       2.20385000       0.75471243       0.79639339       0.02275182
Cr       1.50852000      -0.02890000       1.12129000       0.07347961       0.37007712      -0.91949841
Cr       3.02538000      -1.30272000       3.27649000       0.47787761      -0.43149317      -0.16268537
Cr       4.55580000      -0.05167000       1.09266000      -3.12653049       0.09529466       1.55179847
Cr       2.72839000       1.56572000       3.21809000       0.70982543       0.02047058       0.60535885
O       -0.04192000       1.41871000       0.83505000       1.49041568      -0.07164462       0.52503440
O       -1.88293000       3.22524000       3.48996000      -0.95967905      -0.36555567       0.04568739
O       -1.41952000       0.38779000       3.09510000      -1.34748658      -0.01262901      -0.89239997
O        2.92268000       1.29211000       1.14872000       1.14523092       0.63173746       1.46572906
O        2.28803000       4.42391000       1.30838000      -0.28656747      -0.28051871       0.09377583
O        1.45723000       0.12587000       3.08007000       1.26985454      -1.90985679      -0.28518754
O       -0.62224000       4.35237000       0.99045000       0.63640906      -0.36551169      -0.41408249
O        1.22105000       2.71637000       3.59863000      -0.43660517       1.15768950      -2.68676286
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.99748312 magmom=20.0019326 free_energy=-108.99748312 stress="-0.07845432460326163 0.015782522196194564 0.010995900914596596 0.015782522196194564 -0.04853425996265792 0.0004921451478965434 0.010995900914596596 0.0004921451478965434 -0.03996226926468956" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03205000      -0.05413000       4.30474000      -0.58778643       0.85885045       0.27581067
Cr      -0.60197000       2.62172000       2.33757000       1.70744334       0.33616428      -1.38305685
Cr       1.49153000      -0.04776000       1.14066000      -0.03264716       0.51711305      -1.59017755
Cr       2.97307000      -1.23450000       3.35873000       3.77792180      -2.98177763      -0.06271796
Cr       4.47817000      -0.07175000       0.98822000      -1.63285159      -0.36193466       1.21458755
Cr       2.77690000       1.56693000       3.13905000      -0.34257115       0.21224852       1.02932857
O        0.02089000       1.32841000       1.01336000       0.13629440       0.22137478      -0.63608595
O       -1.94222000       3.17462000       3.51460000      -0.76564872       0.37337491       0.45673353
O       -1.51354000       0.29287000       3.11038000       0.06473147       0.07145244      -0.91918582
O        2.95333000       1.35172000       1.11206000       0.95049178      -0.43052613       1.22830948
O        2.16368000       4.36583000       1.39163000       1.36589891       0.14739960      -1.37636000
O        1.63919000      -0.06182000       3.05418000      -2.61038163       1.65862217       0.74681186
O       -0.57012000       4.33904000       0.87803000      -1.10110850      -0.02001983      -0.12274533
O        1.25794000       2.84545000       3.30935000      -0.92978652      -0.60234196       1.13874780
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.50155928 magmom=19.9996282 free_energy=-107.50155934 stress="-0.09441862268247624 -0.009109295898171678 0.029299607640361346 -0.009109295898171678 -0.06863206209755723 -0.015869719143264134 0.029299607640361346 -0.015869719143264134 -0.03910453276912528" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09719000       0.09464000       4.33454000      -1.37243114      -0.98900236       0.05199364
Cr      -0.51162000       2.63764000       2.42829000      -1.68617911      -0.10011249      -2.58743599
Cr       1.46033000      -0.05784000       1.08267000      -0.44673796      -0.27930396       1.67463479
Cr       3.08582000      -1.30698000       3.44140000      -1.37406624      -0.29774272      -0.82333436
Cr       4.27139000      -0.12240000       0.94788000       3.39116321       1.47642837       0.52126815
Cr       2.81685000       1.57350000       3.10653000      -2.93014659      -2.09347732       1.37425650
O        0.10619000       1.30946000       1.17000000      -1.01327962      -0.18704100      -1.99392309
O       -2.04210000       3.11894000       3.52920000       1.77006708       1.08101633      -0.29974206
O       -1.58966000       0.14802000       3.01130000       1.21510554       0.79341104       0.53493686
O        3.11737000       1.45422000       1.22438000      -1.07947734      -0.11828015      -1.17147466
O        2.24309000       4.34570000       1.22328000      -1.54106128       0.78895318       1.13250060
O        1.48595000      -0.12893000       3.15095000       2.48451520       0.09552164      -2.39571688
O       -0.67233000       4.33777000       0.75242000      -0.49871001       0.46772038       0.43795485
O        1.13246000       2.92728000       3.08699000       3.08123827      -0.63809093       3.54408165
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.46358161 magmom=20.0010589 free_energy=-108.46358174 stress="-0.06276996712745941 0.02657419399163411 0.02754010246883263 0.02657419399163411 -0.06683022172457856 -0.011685409746306044 0.02754010246883263 -0.011685409746306044 -0.08515304664842606" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.11903000       0.19071000       4.35085000       0.08504040      -1.25284616      -1.72420989
Cr      -0.43234000       2.65547000       2.37958000       0.98569528       0.19473566      -2.02213486
Cr       1.38721000      -0.07942000       1.09610000      -0.36579767       0.91790994      -0.90433348
Cr       3.17204000      -1.40357000       3.46974000      -0.43117168       1.71484697      -2.52388197
Cr       4.24259000      -0.09033000       0.94963000       1.45751289       2.23279471       2.25387098
Cr       2.72542000       1.48345000       3.14739000       0.96284261      -0.05751341      -0.02021130
O       -0.01892000       1.31134000       1.02371000       0.22247015      -0.13620417      -0.22400077
O       -1.83740000       3.14896000       3.46986000      -1.66161915      -0.47440277       1.21919455
O       -1.46768000       0.10122000       3.05240000      -0.89739849       0.97202741      -0.16479291
O        3.04745000       1.55248000       1.15080000      -0.54384450      -1.48662451       1.15231756
O        2.10324000       4.42928000       1.14211000      -0.39796489      -0.04294226       1.73879195
O        1.54550000      -0.08311000       2.97282000       0.51653595      -0.64431661       1.48169428
O       -0.85648000       4.42645000       0.74471000       1.32515931      -1.58363436       1.18486144
O        1.28481000       2.82812000       3.42315000      -1.25746022      -0.35383043      -1.44716557
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.29250436 magmom=20.0073878 free_energy=-109.29250453 stress="-0.033914525623815674 0.013534885466729688 0.0076243833241684015 0.013534885466729688 -0.038587177766412704 -0.018019015747205692 0.0076243833241684015 -0.018019015747205692 -0.06347283344405671" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12963000       0.20814000       4.30088000       0.24725150      -0.09536217       0.77587327
Cr      -0.33683000       2.68946000       2.23847000      -0.48921837       1.68296474       0.43074779
Cr       1.29901000      -0.06179000       1.08435000       1.99860091       0.39850784       0.41127144
Cr       3.21341000      -1.41066000       3.35910000      -1.00265249      -0.32867627      -2.43083171
Cr       4.30498000       0.03578000       1.06281000      -1.58477756      -1.05476857       0.74023909
Cr       2.68071000       1.40394000       3.20379000       2.09858516       1.69167376       0.61542907
O       -0.11024000       1.34601000       0.89678000       1.18052433      -0.16580739       0.22718279
O       -1.81193000       3.05500000       3.50964000      -1.18260501      -0.30277023      -0.31226526
O       -1.45126000       0.18890000       3.12112000      -1.08950865       0.13777392      -1.02838519
O        2.84950000       1.48665000       1.17579000       0.08428650      -1.13930541       0.91322358
O        1.98669000       4.41077000       1.26221000       1.93698180      -0.20799383       0.13529490
O        1.64677000      -0.13910000       3.04251000      -1.41278696      -0.94222810       0.65295608
O       -0.81857000       4.30133000       0.94893000      -0.15038165       0.05150108      -0.27590147
O        1.25941000       2.71239000       3.49021000      -0.63429951       0.27449062      -0.85483437
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.87421682 magmom=20.0052902 free_energy=-108.87421813 stress="-0.060643261066614114 0.012800118984235276 0.0041321294319563205 0.012800118984235276 -0.05522894461898767 -0.015877208542275593 0.0041321294319563205 -0.015877208542275593 -0.0682214844549553" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12548000       0.20332000       4.30405000      -0.87220450      -0.65263923       1.35235107
Cr      -0.28947000       2.77931000       2.14968000      -1.02931295       0.01684766       1.02145360
Cr       1.32527000      -0.03724000       1.08781000       1.34464213      -0.74132510       1.15828839
Cr       3.19332000      -1.43018000       3.18074000      -1.64948180      -1.44143196       2.38370829
Cr       4.28524000       0.09031000       1.17799000       0.30784789      -0.97438318      -2.58816476
Cr       2.71960000       1.41599000       3.27333000      -1.74726814      -0.39290729       0.64287679
O       -0.04032000       1.36867000       0.88599000      -0.08328350      -0.71501972      -0.65032931
O       -1.95628000       2.92699000       3.47391000       0.95862409       0.97332177      -0.36449677
O       -1.53641000       0.23969000       3.10222000       0.43504193      -0.68541576       0.38274813
O        2.71580000       1.32428000       1.28418000       0.77523228       0.67827208      -0.35883104
O        2.21757000       4.35805000       1.30594000      -0.89200892       1.42545866      -0.47983125
O        1.54274000      -0.26162000       3.22203000       1.60775058       0.00064196      -2.47131005
O       -0.74857000       4.21907000       1.07259000      -1.05694192       2.73554919      -2.34197955
O        1.13317000       2.67777000       3.34663000       1.90136283      -0.22696905       2.31351645
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.81662585 magmom=20.0022334 free_energy=-109.81662585 stress="-0.05685741700844073 -0.004142769806917907 0.004796751712780953 -0.004142769806917907 -0.06016286403671882 -0.007964096744607798 0.004796751712780953 -0.007964096744607798 -0.0447067193904219" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63298000       3.02978000       0.01052000       0.32001382      -1.19261183      -0.56451609
Cr      -0.30087000       2.86941000       2.12636000      -0.24251156       0.31706873       0.14375180
Cr       1.42846000      -0.04537000       1.13894000      -0.53985792       0.63683467      -1.69917915
Cr       3.09764000      -1.52325000       3.15945000       0.88681385       0.18304121       1.90251171
Cr       4.28726000       0.09274000       1.14180000       1.71755551       0.27085584      -0.73003552
Cr       2.68707000       1.41381000       3.34824000       0.68381684      -0.80892184      -1.36437669
O       -0.01486000       1.33703000       0.85908000      -0.01064946       0.23755424       0.03764007
O       -1.91446000       2.96258000       3.35373000       0.07100822       0.37081206       0.84477113
O       -1.53498000       0.14649000       3.15699000      -0.42740943      -0.02241498      -0.45987331
O        2.76038000       1.33575000       1.30699000       0.76776511       0.91023793       0.02954119
O        2.27948000       4.47367000       1.21336000      -1.76412693      -0.67107848       0.62777866
O        1.57331000      -0.28824000       3.06674000      -0.67787225       0.41163902       0.68920262
O       -0.78583000       4.44898000       0.90329000       0.14480784      -1.05278255       1.11666902
O        1.19633000       2.65741000       3.47601000      -0.92935364       0.40976598      -0.57388543
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.3562023 magmom=20.0029324 free_energy=-109.35620231 stress="-0.03904087901293136 0.014552631555912916 0.0039969126667211445 0.014552631555912916 -0.050403900301376814 0.006616408823083983 0.0039969126667211445 0.006616408823083983 -0.04972355215133595" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.58353000       2.89312000       0.05222000      -0.81596177       0.58374178      -1.36591184
Cr      -0.34271000       2.97837000       2.11352000       0.17737475      -0.26064117      -0.07553326
Cr       1.50941000      -0.00445000       1.09812000      -1.25072611       1.79777145      -1.26498888
Cr       3.03850000      -1.60599000       3.26067000       1.70886067       3.17821769      -1.25586179
Cr       4.37319000       0.09897000       1.05630000      -1.41030506      -1.14541937       2.19130998
Cr       2.67758000       1.36239000       3.34998000       1.43738601       0.47237106      -1.33763795
O       -0.01821000       1.37898000       0.89754000       0.65667245       0.11702741      -0.19699428
O       -1.81638000       3.07375000       3.35223000      -1.55390241      -0.74021433       1.58559153
O       -1.56407000       0.01926000       3.17401000      -0.56811634       0.95760336      -0.93578443
O        2.96290000       1.50679000       1.30316000      -0.25247756      -1.90297982       1.06152725
O        2.10606000       4.43918000       1.15627000       1.35039255      -0.68240822       1.25141985
O        1.49780000      -0.19532000       3.04429000       0.37727342      -0.42490165       0.71571384
O       -0.73913000       4.51211000       0.91958000       0.06333778      -0.85708703       0.05656319
O        1.10778000       2.71174000       3.47129000       0.08019162      -1.09308116      -0.42941320
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.36817405 magmom=20.0064329 free_energy=-108.36823955 stress="-0.022773920238444663 0.026606671503366878 -0.0041663248316948604 0.026606671503366878 -0.041402068323078106 0.030788689292800347 -0.0041663248316948604 0.030788689292800347 -0.08014153864377747" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.46002000       2.74244000       0.02867000      -0.74223800       0.76111344      -0.00692309
Cr      -0.40232000       3.07149000       2.12466000       0.25177798      -2.20975035       1.81302348
Cr       1.53779000       0.13194000       0.97954000       0.00236943      -1.83425355       4.06606122
Cr       3.06207000      -1.52448000       3.31888000      -1.49886460       0.60333179      -1.51787626
Cr       4.41975000       0.03753000       1.07215000      -0.40878217      -1.57363280       0.23238211
Cr       2.74890000       1.32288000       3.27108000      -0.90636680       1.92205467       1.41926435
O        0.04320000       1.49000000       0.97129000      -0.03110380      -0.86674038      -0.79448657
O       -1.89834000       3.04821000       3.52387000      -0.11640365      -0.18904387      -2.48681057
O       -1.61601000       0.03545000       3.07615000       1.12862051       0.33781816       0.24212623
O        3.11280000       1.45498000       1.35397000      -1.34276655      -0.59780453      -0.71202907
O        2.12547000       4.23609000       1.27745000       0.32456695       1.97149292       0.42368439
O        1.43819000      -0.11884000       3.23295000       1.88476615      -0.92801499      -1.91721382
O       -0.63473000       4.43407000       0.98363000      -1.07921807       2.74124281      -3.04146917
O        1.00935000       2.67345000       3.34046000       2.53364262      -0.13781332       2.28026677
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.4436788 magmom=20.0011873 free_energy=-108.4436788 stress="-0.07640625918562899 0.0071192473800451555 -0.019893143687295528 0.0071192473800451555 -0.06013267840089556 0.01391696831081359 -0.019893143687295528 0.01391696831081359 -0.07830761153995239" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.23935000      -0.24773000       4.35415000       2.44730515       0.66457361       1.35344865
Cr      -0.43433000       3.06905000       2.21737000       1.83536533      -0.36051847      -0.97132274
Cr       1.55092000       0.18671000       1.02656000      -2.27590552      -3.80189778       0.44772918
Cr       3.03127000      -1.39030000       3.29580000       0.53836309      -2.15100204       0.65390556
Cr       4.43204000      -0.10988000       1.11280000      -0.60792809       1.40905507      -1.08058131
Cr       2.78646000       1.38973000       3.24400000      -0.86598566       0.82932108      -0.35510675
O        0.07572000       1.51599000       0.96156000       0.12716719      -0.34006263      -0.40894825
O       -1.97212000       2.98641000       3.34724000       0.64965824       1.81165925       1.17530843
O       -1.47385000       0.12419000       3.05380000      -1.58640444       0.65769661      -0.85265566
O        2.99124000       1.28668000       1.24832000       1.22994804       1.05720674       0.43208046
O        2.27031000       4.26010000       1.39457000      -0.35196789       0.95985412      -1.78550987
O        1.58578000      -0.17052000       3.21248000      -1.19284402       0.68467883      -0.91637519
O       -0.63224000       4.58200000       0.74043000       1.38336187      -2.18788570       2.98960947
O        1.23819000       2.67079000       3.48459000      -1.33013327       0.76732133      -0.68158197
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.97204141 magmom=19.998362 free_energy=-108.97204141 stress="-0.07350744816210965 -0.011526510760579438 -0.017399475025469055 -0.011526510760579438 -0.06423293006148952 0.028053065215467663 -0.017399475025469055 0.028053065215467663 -0.055212247602159" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.27903000       2.58984000       0.01991000       0.44592871       1.56645085      -0.83298881
Cr      -0.35733000       3.03045000       2.26370000       1.56982462      -1.98488914      -0.56441697
Cr       1.46544000       0.04940000       1.12376000       1.29601544      -0.03984560      -1.00428204
Cr       3.01812000      -1.36761000       3.28407000       1.40238085       0.67114601      -0.46752769
Cr       4.43714000      -0.18094000       1.08690000       1.10156052       3.17008967       0.15870038
Cr       2.77135000       1.51854000       3.22210000       0.19275410      -0.74854603      -0.38815412
O        0.07640000       1.49419000       0.90598000       0.17041810      -0.39213293       0.22096148
O       -1.93448000       3.16662000       3.25957000      -0.81986276       0.24026079       2.22671419
O       -1.51124000       0.26782000       3.01521000      -0.65451283      -0.46084716       0.29209573
O        2.96502000       1.30063000       1.17430000       0.55498061      -0.62305419       1.56344971
O        2.32811000       4.39643000       1.21392000      -1.96083161      -1.30813147       0.31965805
O        1.55369000      -0.10631000       3.05852000      -0.57545899       0.60071247       0.80788826
O       -0.48138000       4.37842000       0.94230000      -1.84401537       0.60278690      -1.54596547
O        1.27424000       2.81753000       3.52228000      -0.87918139      -1.29400016      -0.78613269
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.85054338 magmom=20.0016127 free_energy=-108.85054362 stress="-0.04814609332614224 0.022405960587588175 -0.029125724257978138 0.022405960587588175 -0.016085455445687156 0.0197912087271421 -0.029125724257978138 0.0197912087271421 -0.05787907500091766" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.31150000       2.63111000       0.01889000      -0.14687334       0.27875396      -0.76175677
Cr      -0.22871000       2.89991000       2.26867000      -2.62079282      -0.63487857      -1.16394380
Cr       1.42786000      -0.09859000       1.16170000       1.17448824       1.99075143      -1.37002759
Cr       3.06288000      -1.33134000       3.26000000      -0.82368315       0.61431448       0.10364598
Cr       4.46564000      -0.09616000       1.05940000      -1.52052764       0.94122537       0.50441831
Cr       2.75823000       1.59833000       3.17681000      -0.29267501      -1.02328246       0.82510769
O        0.06621000       1.43637000       0.92861000      -0.36487376      -0.65250943       0.04262105
O       -1.88790000       3.31659000       3.46652000       0.61293777      -1.37163582      -0.33817636
O       -1.63091000       0.26875000       3.06630000       0.82705479      -0.61616018      -0.10829652
O        2.99412000       1.34592000       1.26598000      -0.24553417      -0.44858045      -0.28192721
O        2.15169000       4.34387000       1.06221000       0.90738118       0.53509275       1.85876157
O        1.41759000       0.04885000       3.06705000       1.16510685      -1.00144971       0.65114320
O       -0.60862000       4.26069000       0.98858000      -1.31242522       1.70946117      -1.85090103
O        1.17140000       2.81261000       3.42549000       2.64041628      -0.32110253       1.88933148
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.85237646 magmom=19.9983149 free_energy=-108.85237646 stress="-0.05714740742146273 0.02452350889403267 -0.015549297004197056 0.02452350889403267 -0.05019091888249329 0.004822905539678688 -0.015549297004197056 0.004822905539678688 -0.06204674277444056" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.19248000      -0.17742000       4.34316000       0.94073998      -0.20699400       0.75525391
Cr      -0.22729000       2.75224000       2.23493000      -1.21423451       1.64164074       0.46147862
Cr       1.45148000      -0.12720000       1.12482000      -0.57367051       1.57981695       0.00990080
Cr       3.06809000      -1.27840000       3.24965000      -0.43446069      -2.23663081       0.98066719
Cr       4.40590000       0.03733000       1.06611000      -1.72192631      -0.84192363       0.50081957
Cr       2.74200000       1.59816000       3.17846000       0.82130445      -1.43734389       1.27043222
O       -0.00033000       1.32900000       1.00816000       1.07714895       0.01290267      -1.40634522
O       -1.71379000       3.18759000       3.55866000      -1.00309560      -0.26088414      -1.04127320
O       -1.57149000       0.17130000       3.12613000      -0.54286961       1.89750204      -1.83540127
O        2.91917000       1.36768000       1.25957000       0.25596821      -0.43884928       0.26194263
O        2.12913000       4.30736000       1.20648000       0.69871624       0.75715436       0.94352391
O        1.46462000      -0.00924000       3.19310000       1.01474846      -0.84145545      -1.34951367
O       -0.86082000       4.41860000       0.78510000       2.32963251      -1.09858373       1.58057987
O        1.32431000       2.78518000       3.47983000      -1.64800156       1.47364816      -1.13206537
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.03868707 magmom=20.0037109 free_energy=-109.03868707 stress="-0.06461358924854935 -0.0004504747982401717 -0.0023565399850328413 -0.0004504747982401717 -0.0643453619542418 -0.008979683309082524 -0.0023565399850328413 -0.008979683309082524 -0.08039873315320319" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09559000      -0.09424000       4.33683000       0.25717800       0.71839620      -0.09101938
Cr      -0.30228000       2.68745000       2.20763000      -0.20505314       0.90911937      -0.96888436
Cr       1.45144000      -0.06957000       1.07771000       0.54970818      -0.03868277       0.70055856
Cr       3.06559000      -1.33912000       3.29857000       2.42373073      -0.53231414       0.43914738
Cr       4.26947000       0.11484000       1.08792000       1.99601710      -1.95916811      -1.42494608
Cr       2.74715000       1.52231000       3.25871000      -0.77633537      -0.00477597      -0.14580598
O        0.05903000       1.29433000       0.92535000      -0.00128000       0.63971127      -0.77110287
O       -1.68908000       2.95002000       3.44597000      -2.18513210       1.32667243       1.17317881
O       -1.51363000       0.31008000       2.98561000      -0.10270896      -0.53113519       1.40130194
O        2.83147000       1.37738000       1.23725000       0.13672442       0.33187982       0.64427815
O        2.25790000       4.38277000       1.42639000      -0.24242478       0.13681639      -2.58070010
O        1.59725000      -0.19678000       3.14495000      -1.42940224       1.75841800      -0.07440341
O       -0.71393000       4.45216000       0.86107000      -0.45555197      -0.73183555       0.37586932
O        1.22551000       2.93236000       3.36221000       0.03453013      -2.02310175       1.32252801
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.1200621 magmom=19.9976904 free_energy=-109.12006806 stress="-0.04924146814138807 -0.021856706667280314 -9.758248121354688e-05 -0.021856706667280314 -0.05632975808555751 -0.012535147304778348 -9.758248121354688e-05 -0.012535147304778348 -0.06325053032505216" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03599000       0.02796000       4.33538000      -0.47623511       0.39177200       0.13512873
Cr      -0.40355000       2.68465000       2.14924000      -1.18664251       0.62856162       0.25557709
Cr       1.47020000      -0.00769000       1.07053000      -0.01761872      -0.42206514       0.64297463
Cr       3.15402000      -1.43934000       3.33111000      -0.57508363       0.63748566      -3.27010619
Cr       4.23405000       0.09646000       1.05028000       2.98694658       0.62332404       0.03908235
Cr       2.70805000       1.42626000       3.34426000      -0.82419680       0.13478146      -0.33366567
O        0.09973000       1.41654000       0.80633000      -0.58633925      -0.83973316       1.43862255
O       -1.94851000       2.93070000       3.41582000       0.75669829       1.53368758       0.43014055
O       -1.46027000       0.33273000       3.05930000      -0.57255506      -0.88303775      -0.21172880
O        2.76978000       1.46245000       1.27408000       1.10146292      -0.50014363       0.38361822
O        2.33641000       4.46898000       1.25672000      -1.84549652      -1.04038299       0.66609347
O        1.53562000      -0.12990000       3.09007000       0.85504937      -0.52933585      -0.11838243
O       -0.55451000       4.32766000       1.04111000      -1.48588118       0.66733907      -1.38692559
O        1.07162000       2.80162000       3.40171000       1.86989163      -0.40225289       1.32957108
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.01566195 magmom=20.0013422 free_energy=-109.01566598 stress="-0.051295368558657226 0.021304956162046626 0.02255224384809598 0.021304956162046626 -0.054026886022577526 -0.02432221789664003 0.02255224384809598 -0.02432221789664003 -0.06757492706761635" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.14259000       0.16225000       4.33835000      -0.63750196      -0.86587056      -0.07542564
Cr      -0.54085000       2.73289000       2.11674000       0.04003336       0.19317355       2.17504957
Cr       1.48558000       0.02754000       1.10064000      -0.75678222       0.15332676      -0.32278093
Cr       3.19899000      -1.48250000       3.21352000      -2.54982789       1.33174226       0.03074192
Cr       4.34422000       0.08396000       1.02653000      -0.21749736      -0.61502403       2.43723509
Cr       2.64614000       1.35580000       3.40309000       2.22615491       1.33178664      -1.07885201
O       -0.01493000       1.41293000       0.91014000       0.62599554      -1.36853988      -1.39986328
O       -1.99859000       3.06368000       3.45091000       1.75435301      -1.52651661       0.40440255
O       -1.46715000       0.15852000       3.17476000      -0.99630622       0.21344674      -1.33386208
O        2.85898000       1.50545000       1.30555000       0.45079990      -1.14051371       0.16674805
O        2.16663000       4.42020000       1.14340000       0.23912939       1.24116699       2.17468780
O        1.53232000      -0.11904000       3.05902000       0.80003870      -1.87448185      -0.41321851
O       -0.62759000       4.27383000       1.01592000      -0.82874010       1.96041674      -0.86730206
O        1.14702000       2.59742000       3.55168000      -0.14984906       0.96588697      -1.89756048
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.94252088 magmom=20.0003688 free_energy=-108.94252088 stress="-0.06415294372394327 0.02797400031815519 0.03494518705562178 0.02797400031815519 -0.04753280142233868 -0.012633445094145268 0.03494518705562178 -0.012633445094145268 -0.07906850835006268" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18964000       0.24329000       4.34182000      -0.50810662      -0.97672262       0.07968033
Cr      -0.64321000       2.79222000       2.16072000       3.01187166      -0.84147399      -1.73081901
Cr       1.46395000       0.06460000       1.11486000       0.25251041      -0.10179566      -0.00023132
Cr       3.11750000      -1.47898000       3.11158000      -0.22375139      -2.57024277       3.43718115
Cr       4.42877000       0.04015000       1.11016000      -2.84679097      -0.39483332      -0.48618714
Cr       2.69626000       1.35556000       3.38525000       1.21819803       0.27905881      -1.89429214
O       -0.04370000       1.29429000       0.88864000       1.01126403       1.85962340      -0.44781487
O       -1.80033000       2.97679000       3.53648000      -2.85087135       0.51793965       1.01920553
O       -1.55117000       0.02831000       3.12660000       0.92795576       1.34308768       0.05993048
O        2.99179000       1.40417000       1.30035000      -0.72808559       0.39694161       0.29444209
O        2.09892000       4.44808000       1.28620000       1.05968418      -0.30697059      -1.91056811
O        1.59985000      -0.32272000       3.06329000      -0.94708988       1.58103832       0.64323422
O       -0.80518000       4.43778000       0.93238000       1.09711105      -1.24643569       0.88365461
O        1.18370000       2.60141000       3.39454000      -0.47389932       0.46078516       0.05258418
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.81966512 magmom=20.0005693 free_energy=-108.81966561 stress="-0.055339066135997386 0.008042471861539226 0.030773755240156356 0.008042471861539226 -0.06520849695574338 -0.02392206333710097 0.030773755240156356 -0.02392206333710097 -0.06242832332683605" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18954000       0.24706000       4.34577000      -0.97488295      -1.63321668      -0.37024444
Cr      -0.59620000       2.81266000       2.15169000       0.64269849      -0.59920561       0.02734659
Cr       1.45209000       0.09732000       1.13573000      -0.22857089      -1.14527548       0.59532650
Cr       3.00141000      -1.59330000       3.19349000       1.42321697       2.30314682       0.68652218
Cr       4.37327000      -0.01426000       1.18068000       1.08093601       0.94710690      -1.97634957
Cr       2.81881000       1.37434000       3.25828000      -1.69251332      -0.51565388       1.43422002
O        0.03194000       1.45882000       0.82357000      -0.89342310      -0.82237782       0.55971972
O       -1.96374000       2.93564000       3.59644000       0.66050725       0.97351011      -1.71628651
O       -1.47267000       0.09956000       3.10124000      -0.03960552      -0.13829182       0.61588197
O        2.97051000       1.35772000       1.30530000      -0.37263722       0.77876895      -0.34842296
O        2.25614000       4.44299000       1.17972000      -1.92105544       1.10726786       2.10951688
O        1.54402000      -0.23851000       3.18119000       1.76196796       0.01353629      -2.23216864
O       -0.76449000       4.38825000       1.01114000       0.26747185       0.65950465      -1.18382780
O        1.11761000       2.72587000       3.19578000       0.28588992      -1.92882030       1.79876603
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.05926438 magmom=20.0017615 free_energy=-108.05958532 stress="-0.06987672719509452 -0.01552149354643735 0.0020263690456167717 -0.01552149354643735 -0.07118507626397141 -0.015102060132370646 0.0020263690456167717 -0.015102060132370646 -0.0673775512565512" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12957000       0.15283000       4.33660000       0.73659805       0.27731055       0.79808478
Cr      -0.47309000       2.81382000       2.12907000      -1.12955372       1.20717803       0.70825046
Cr       1.43047000       0.07425000       1.17423000      -0.21078384      -0.35052205      -2.37995142
Cr       2.92740000      -1.62033000       3.36372000       0.91788970       2.90572639      -2.72068996
Cr       4.34296000      -0.01590000       1.16120000       0.96961967       0.00227584      -0.67302655
Cr       2.88811000       1.37391000       3.17335000      -0.98902286       1.36887241       2.17701660
O       -0.07002000       1.50918000       0.88968000       0.52198950      -2.92871029      -0.53744546
O       -2.03494000       3.05180000       3.33245000       1.07753018       0.32716282       1.42548882
O       -1.34257000       0.20075000       3.18273000      -1.83780242      -0.21241605      -1.80491869
O        2.84117000       1.45770000       1.22185000       1.10898512      -0.70757975      -0.05753750
O        2.18971000       4.50492000       1.25350000      -0.49303611      -0.99295882       0.67111532
O        1.65226000      -0.03821000       3.05164000      -0.98420916      -1.98082391       1.19702187
O       -0.58065000       4.33814000       0.97303000      -1.27639317       1.51501706      -1.19789459
O        1.04325000       2.61809000       3.25381000       1.58818908      -0.43053222       2.39448632
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.45556235 magmom=20.0003458 free_energy=-108.45556284 stress="-0.06166386367607144 0.019935645580729723 -0.004587237314903654 0.019935645580729723 -0.05388243016983612 -0.0068557762654877456 -0.004587237314903654 -0.0068557762654877456 -0.05623647139789796" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.06694000       0.06205000       4.35308000      -0.15668155       1.78736917      -0.28537377
Cr      -0.35971000       2.87038000       2.13039000       0.96005231       0.23359146      -0.13196366
Cr       1.40927000       0.02170000       1.10104000       1.95217676       0.38675164      -0.42725294
Cr       2.91202000      -1.48100000       3.39888000       1.90830100      -0.24666837      -1.97450899
Cr       4.34902000      -0.03669000       1.10486000      -2.03934761      -2.15775936       1.32383365
Cr       2.89250000       1.43817000       3.20179000      -1.58285006       1.48542062      -0.24453440
O       -0.11840000       1.19806000       0.98697000       1.56085799       2.62936178      -0.64789187
O       -1.89014000       3.21725000       3.22450000      -1.42655861      -0.79610775       2.16003561
O       -1.42154000       0.26314000       3.07470000      -0.80268752      -0.64261028      -0.01454463
O        2.85864000       1.46265000       1.10352000       0.79586176      -2.23949352       2.13780648
O        2.07226000       4.38583000       1.42164000       0.71285466      -0.35626360      -0.97825829
O        1.61573000      -0.09696000       3.09614000      -0.98627771       0.01522533       0.29661346
O       -0.58343000       4.43914000       0.80809000      -0.87112708      -1.56585270       0.95932029
O        1.08511000       2.46117000       3.59955000      -0.02457434       1.46703556      -2.17328095
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.32481826 magmom=20.0021343 free_energy=-109.32481826 stress="-0.03560343380963658 0.0370528618251574 -0.0018259902510243896 0.0370528618251574 -0.01989763419720973 -0.007969862619530742 -0.0018259902510243896 -0.007969862619530742 -0.0670227496119509" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54537000       2.92791000       0.01132000      -0.85806097      -0.95927502       0.31681081
Cr      -0.23402000       2.93979000       2.14306000      -0.19680729      -0.40255622       0.23908159
Cr       1.46784000      -0.01730000       1.01053000      -0.52547503      -0.23920347       1.73346171
Cr       2.98781000      -1.35986000       3.32297000       0.28255097      -1.31353229       1.22946725
Cr       4.29080000      -0.14270000       1.11235000       1.77018071       0.46041481      -0.08099155
Cr       2.81714000       1.56562000       3.23201000      -1.68631401      -1.85125416      -0.52758049
O        0.00920000       1.27489000       0.99722000      -0.66986580       0.38605157      -0.62216389
O       -1.88557000       3.17365000       3.40867000      -0.07858320      -0.32412979      -0.23921102
O       -1.59058000       0.20031000       3.04362000       0.28247166      -0.43663840       1.16624540
O        2.94900000       1.24864000       1.22861000      -0.80466742       1.25830807      -0.13575486
O        2.11544000       4.21590000       1.36751000      -0.47791803       1.61173539       0.22788050
O        1.41713000      -0.18408000       3.21653000       2.25423092      -0.02202222      -2.69762447
O       -0.69045000       4.30469000       0.84906000      -0.12400564       1.02025543      -0.24701050
O        1.09739000       2.59154000       3.52748000       0.83226312       0.81184629      -0.36261049
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.20671913 magmom=20.0028325 free_energy=-109.20671924 stress="-0.059078809377918 0.004440863802173889 -0.016627320261793702 0.004440863802173889 -0.051838725301414666 0.0061371830685497415 -0.016627320261793702 0.0061371830685497415 -0.0612795958356803" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48144000       2.86713000       0.01870000       1.01440778      -1.08454669      -0.45349353
Cr      -0.16746000       2.96818000       2.15014000      -1.72734271       0.04486244      -0.24664844
Cr       1.48878000      -0.04392000       1.03029000      -1.60604923       0.51501089       1.13692416
Cr       3.06042000      -1.34641000       3.32210000      -0.60399921      -1.63503591       0.72398610
Cr       4.31899000      -0.18725000       1.12854000       0.85926777       2.76860631      -0.18330351
Cr       2.68820000       1.56957000       3.22554000       0.35866478      -2.59333695       0.11964989
O        0.01480000       1.46071000       0.93628000      -0.15401335      -1.85188500      -0.12283229
O       -1.88041000       3.04511000       3.47486000       0.08556271       0.48703205      -1.00213059
O       -1.62132000       0.11748000       3.21105000       0.51026353       1.64949694      -1.46484872
O        2.89617000       1.26992000       1.28948000       0.44791243       0.59513004      -0.56889908
O        2.12285000       4.29143000       1.27119000       0.11846850       0.58849020       0.53470990
O        1.45818000      -0.20946000       3.03147000       0.10360613       0.69615254       0.34560112
O       -0.76861000       4.30656000       0.91538000       0.00745224       1.04168232      -1.21611062
O        1.21476000       2.82387000       3.36902000       0.58579862      -1.22165917       2.39739562
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.49249297 magmom=20.0009108 free_energy=-109.49249298 stress="-0.04558215661862191 -4.81595281058791e-05 -0.015873900698476603 -4.81595281058791e-05 -0.05841457287228942 0.016158415554131146 -0.015873900698476603 0.016158415554131146 -0.05942759804000756" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07746000      -0.12539000       4.35595000       0.11515027       1.48724233      -0.42450012
Cr      -0.20122000       2.98113000       2.14207000      -0.48433253       0.24820949       0.59328815
Cr       1.42729000      -0.02989000       1.09270000       0.73485095       0.55762053      -2.04544127
Cr       3.11236000      -1.40495000       3.36316000       0.77126334       0.43091703      -1.82733312
Cr       4.38917000      -0.06515000       1.13381000      -1.31085194       1.92461879       0.34403253
Cr       2.60711000       1.43351000       3.21611000       2.67661635       1.33418923       0.18042867
O       -0.03693000       1.39494000       0.93134000       0.63250561      -0.38359441       0.37953422
O       -1.84836000       2.98483000       3.34633000      -0.85536425       0.88051104       1.02980293
O       -1.53576000       0.24327000       3.16244000      -1.18070958      -0.55409635      -1.25420438
O        2.85976000       1.42101000       1.23165000       0.64093328      -2.08281689       1.29279027
O        2.18517000       4.42651000       1.21480000      -0.00041466      -0.71983194       0.77852362
O        1.50340000      -0.11306000       3.00535000      -0.51410981      -1.06448174       1.34039556
O       -0.75484000       4.42671000       0.84902000       0.67159257      -1.30593643       0.60160673
O        1.28739000       2.82347000       3.52947000      -1.89712960      -0.75255070      -0.98892381
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.75099089 magmom=20.0006997 free_energy=-108.75099099 stress="-0.06879741223221825 0.005300704728645608 -0.008525194995780081 0.005300704728645608 -0.057672955428510524 0.0174974579494251 -0.008525194995780081 0.0174974579494251 -0.06340963829522883" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09198000      -0.17150000       4.31823000      -1.14710937       1.41529250       1.03702170
Cr      -0.28591000       3.00140000       2.17183000       0.00675983      -0.57498834       0.47989000
Cr       1.40343000       0.00422000       1.06240000       2.47331290      -1.42870843       0.57397719
Cr       3.19725000      -1.46017000       3.31011000      -2.48111172       0.49742186      -1.51631019
Cr       4.38145000       0.16457000       1.13589000      -1.29795903      -3.79534760      -2.14401670
Cr       2.66406000       1.35488000       3.23368000      -0.33120575       2.36272746       1.34659089
O        0.01876000       1.32806000       1.01324000       0.89067776       2.01046889      -1.05020921
O       -1.91820000       3.04834000       3.33561000       0.16221640      -0.48703498       1.00569848
O       -1.54799000       0.24666000       2.98276000       0.37655126      -0.76011123       2.62212349
O        2.87715000       1.33953000       1.26981000      -0.63801246       0.51079027      -0.11058501
O        2.29323000       4.42639000       1.25641000      -0.83230174      -0.04380604       0.70561420
O        1.45277000      -0.15393000       3.25066000       1.89448023      -0.96901714      -2.20969972
O       -0.59233000       4.35490000       0.88150000      -1.42479128       0.92269020      -0.97671842
O        1.04052000       2.67930000       3.51329000       2.34849297       0.33962257       0.23662330
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.51376918 magmom=19.9997615 free_energy=-108.51377926 stress="-0.061307108676292084 0.01988825330885767 -0.02352940664630125 0.01988825330885767 -0.027187590128640082 0.010634723087827997 -0.02352940664630125 0.010634723087827997 -0.08185439655492943" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.13753000      -0.12289000       4.32572000       1.95630808       0.02732578       1.64512765
Cr      -0.38714000       2.99720000       2.24040000       0.68750797      -0.57238298      -0.74318815
Cr       1.50668000      -0.03368000       1.05316000      -1.37556827      -0.30926052       1.74611669
Cr       3.16220000      -1.49729000       3.16250000      -1.03306667      -0.24175643       3.07881772
Cr       4.31025000       0.23060000       1.04238000       2.20691773      -2.45411933       0.36856802
Cr       2.73329000       1.40473000       3.33444000      -1.15492945      -1.22049621      -0.71412757
O        0.16815000       1.57286000       0.95881000      -0.95974366      -1.86880905      -0.83450556
O       -1.91576000       3.01774000       3.46040000       0.27758390      -0.29798719      -0.08088469
O       -1.51487000       0.08033000       3.15333000      -1.58087429       1.85852735      -2.81555062
O        2.78625000       1.34265000       1.29219000       1.18184495       1.01474755       0.70995362
O        2.28698000       4.36292000       1.34056000      -0.23681363       0.57664198      -2.77804110
O        1.58663000      -0.35954000       3.24517000      -0.40476271       1.49444896      -1.15392827
O       -0.61007000       4.35616000       0.87324000      -0.97948619       1.32892673       0.52182853
O        1.09835000       2.61897000       3.41858000       1.41508224       0.66419337       1.04981373
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.49937424 magmom=20.0060799 free_energy=-108.49937424 stress="-0.057296113560915095 0.014858511084822343 0.008727436493872974 0.014858511084822343 -0.05524050326349638 0.007296785022466857 0.008727436493872974 0.007296785022466857 -0.07231819390308258" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.43236000       2.82909000       0.04417000      -0.17005826      -1.63115668      -2.62145844
Cr      -0.44411000       2.94623000       2.26431000       1.52014781      -0.70359344      -1.64985563
Cr       1.56408000      -0.08460000       1.13976000      -2.08274223       2.30829352      -0.75916438
Cr       3.06754000      -1.53254000       3.12215000       3.37592678       1.97829262       0.79884673
Cr       4.34686000       0.15295000       0.95134000       0.68059929       0.16087882       2.50013549
Cr       2.74611000       1.39944000       3.41371000       0.22430849      -1.11641812      -1.53127410
O        0.09010000       1.60634000       0.81115000      -0.72292122      -1.55588440       0.06472847
O       -1.80127000       2.89924000       3.54891000      -1.39250813       1.19469083       0.44875473
O       -1.60204000       0.13863000       3.04820000       0.78418494      -0.07277732      -0.77612331
O        2.83479000       1.52697000       1.37657000       1.00950896      -1.73167668       0.26665589
O        2.23667000       4.34361000       1.04880000       0.12848237       2.12450700       2.27231095
O        1.63133000      -0.28194000       3.04002000      -1.18585908       0.66310844       1.29106926
O       -0.78077000       4.52506000       1.00986000       0.44727132      -0.67436944       0.22100904
O        1.33954000       2.72702000       3.41979000      -2.61634104      -0.94389514      -0.52563470
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.75089607 magmom=19.9998244 free_energy=-108.75089607 stress="-0.05222471524283024 0.0034205390147707747 -0.0005391424757956373 0.0034205390147707747 -0.05652483320770225 0.0008231821466359023 -0.0005391424757956373 0.0008231821466359023 -0.05011677079640982" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.45794000       2.82849000       0.02494000      -0.60543692      -0.33447843      -0.61678871
Cr      -0.42793000       2.85544000       2.20689000      -0.33709076      -0.80946541      -0.07542446
Cr       1.49642000      -0.01541000       1.18222000      -1.00572903       1.84319362      -1.06726926
Cr       3.13051000      -1.47995000       3.15083000       0.06334021       0.17541291      -0.32851151
Cr       4.41489000       0.08011000       0.98217000      -2.41055921      -0.00243632       0.06487694
Cr       2.75816000       1.34482000       3.39667000      -0.09187253       2.06888250      -0.61239775
O       -0.13167000       1.41994000       0.75399000       2.21281059       1.41521150       0.48437452
O       -1.84655000       2.97116000       3.58152000      -0.53775257       0.54007020      -0.62971764
O       -1.53762000       0.18005000       2.89691000       0.58789803      -0.78648863       2.64812645
O        3.00418000       1.50633000       1.39403000      -1.16961983      -0.33229584      -0.63067300
O        2.22828000       4.52551000       1.01313000      -0.26475470      -0.95828056       1.91648429
O        1.46441000      -0.05439000       3.10125000       1.18956989      -1.42896093       0.48869196
O       -0.79633000       4.51427000       1.19845000       1.21641057      -1.01835544      -2.11940701
O        1.18292000       2.73750000       3.33717000       1.15278624      -0.37200918       0.47763519
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.87713594 magmom=19.9983039 free_energy=-108.87713692 stress="-0.05933027512443403 -0.003865380794851254 -0.017249772210631925 -0.003865380794851254 -0.05358931535720984 0.004613088047876726 -0.017249772210631925 0.004613088047876726 -0.052620016585876776" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07800000      -0.07846000       4.33763000       1.32346223       0.44562833       2.69195009
Cr      -0.42262000       2.74564000       2.15437000      -0.81711719       0.65626069       0.90013818
Cr       1.38465000       0.13455000       1.15163000       1.37995053      -1.38700107       0.34217862
Cr       3.20218000      -1.40523000       3.17343000      -2.67288350      -1.01046514       1.34035326
Cr       4.37303000       0.01953000       1.04030000      -0.10465860      -0.19877738      -0.55438966
Cr       2.76604000       1.39417000       3.34208000      -0.18553420       1.33887433       0.10665721
O       -0.05605000       1.42994000       0.83831000       0.62149674      -0.62103816      -0.54986168
O       -1.92402000       3.08838000       3.46206000       0.73022613      -0.72535067       0.22770361
O       -1.38594000       0.08953000       3.12458000      -2.74397720       1.71959647      -2.75696201
O        2.94584000       1.42986000       1.24807000      -0.00266375      -0.65935202       1.35032829
O        2.19252000       4.54361000       1.29790000      -0.31092989      -0.68861484      -0.98718755
O        1.48454000      -0.05236000       3.27983000       1.74787679      -0.83699161      -2.19094450
O       -0.60284000       4.33062000       1.03330000      -0.92525142       1.66409277      -1.31849357
O        1.10965000       2.68003000       3.32548000       1.96000333       0.30313831       1.39852969
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.25510009 magmom=20.0007444 free_energy=-109.25510009 stress="-0.06232276703060477 0.022927004209846977 0.006669398074642034 0.022927004209846977 -0.05809875448907812 -0.008989574759122588 0.006669398074642034 -0.008989574759122588 -0.07498563514178075" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53398000       2.81329000       0.03254000      -0.00257901       0.83717609      -0.54915869
Cr      -0.43783000       2.70584000       2.15514000       0.64465843       1.57996092       0.38152086
Cr       1.37409000       0.16561000       1.13697000       2.04300816      -4.03802632      -0.21633613
Cr       3.13845000      -1.40178000       3.25200000      -0.30460667      -0.36730042       0.15578504
Cr       4.31399000      -0.04609000       1.05946000       0.83250891       0.08270717       0.06648300
Cr       2.76166000       1.50127000       3.29267000       0.27483238      -1.05336698      -1.32973945
O        0.06973000       1.43778000       0.88487000      -1.23020597      -0.37434138      -0.93412247
O       -1.86520000       3.07499000       3.35249000      -0.64971868       0.90938291       1.64905987
O       -1.53655000       0.23114000       3.07857000       0.85758962      -0.14907777      -0.39001212
O        2.86528000       1.33972000       1.25182000       1.14602399       0.61532435       0.41682549
O        2.15465000       4.39280000       1.34504000       0.35062428       0.09564639      -1.33490817
O        1.65931000      -0.16560000       3.15708000      -1.69847062       0.81444568      -0.06632915
O       -0.56873000       4.36338000       0.78710000      -1.06160015       0.57627856       2.72366783
O        1.26248000       2.72116000       3.46798000      -1.20206466       0.47119080      -0.57273591
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.48696398 magmom=20.0025492 free_energy=-109.48696398 stress="-0.04069707786488754 0.016125630941424857 0.012523633929935324 0.016125630941424857 -0.04754034240742306 -0.014546190799091207 0.012523633929935324 -0.014546190799091207 -0.07745380659595255" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62259000       2.85769000       0.06268000      -0.53245226      -0.91501165      -2.63902121
Cr      -0.41926000       2.76373000       2.17984000      -0.06955159       0.65365979      -0.06427950
Cr       1.47347000      -0.01370000       1.10765000      -0.52721235       0.35906725      -0.78054621
Cr       3.04349000      -1.41114000       3.32972000       1.24139532       1.39449301      -1.57071843
Cr       4.30535000      -0.09973000       1.07144000       1.04291980       1.77032779       0.07422578
Cr       2.76108000       1.55305000       3.20897000      -0.51291829      -0.81927246       1.04794540
O       -0.02942000       1.38816000       0.87236000       0.40965005      -0.53586521       0.64039692
O       -1.85498000       3.14189000       3.46126000      -0.58527659      -0.03633315       0.20148722
O       -1.56056000       0.31385000       2.99171000       0.63222168      -1.29014156       1.42682495
O        2.91765000       1.39200000       1.27324000      -0.15684176      -0.49899386      -0.23961608
O        2.20713000       4.27354000       1.15343000      -1.05037366       2.30425761       2.55625084
O        1.54140000      -0.13168000       3.04244000       0.42329214       0.17885788       0.60822205
O       -0.71533000       4.47814000       0.95659000       0.32235848      -1.33918641      -0.56940558
O        1.20233000       2.82621000       3.47152000      -0.63721098      -1.22585904      -0.69176616
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.51211701 magmom=19.9903034 free_energy=-108.51218115 stress="-0.0629860727399774 0.016484089866954075 0.0005627410101327077 0.016484089866954075 -0.04832982539798649 0.01637148247544819 0.0005627410101327077 0.01637148247544819 -0.06114578575056436" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12996000       0.00603000       4.33636000      -1.71637346       0.69669039       0.82128546
Cr      -0.40397000       2.86948000       2.19674000      -1.40862123      -0.91892147      -0.33937192
Cr       1.53546000      -0.19715000       1.04263000      -2.89918736       3.63409686       1.05184677
Cr       3.00661000      -1.35378000       3.33832000       0.54160407      -0.41551251       0.38331890
Cr       4.35918000      -0.05863000       1.09566000      -0.28455005       1.06260197       0.47740931
Cr       2.73946000       1.55038000       3.16458000      -0.60723952      -0.61374998       0.76160541
O       -0.12093000       1.31744000       0.99981000       1.02909356       0.28217741      -0.93857214
O       -1.92121000       3.15546000       3.55350000      -0.27026152      -0.81409544      -1.48102896
O       -1.45514000       0.13099000       3.16405000      -1.61590592       0.72686846      -0.72214374
O        2.93148000       1.43142000       1.20109000       0.09653737      -1.50158297       0.78271803
O        2.19236000       4.39008000       1.26876000       0.96281096      -1.57617319       0.67567329
O        1.44796000      -0.03465000       3.05131000       2.74103828      -0.81640798      -1.19842330
O       -0.79679000       4.35971000       1.10964000       0.47840967       0.59426982      -2.60953898
O        1.02640000       2.76925000       3.34312000       2.95264513      -0.34026138       2.33522185
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.62171109 magmom=20.0007532 free_energy=-108.6217111 stress="-0.08473258256147437 -0.02270701589181497 0.0039237797433724735 -0.02270701589181497 -0.07402196227328697 0.005900051802828055 0.0039237797433724735 0.005900051802828055 -0.04014110482893398" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10902000       0.05970000       4.25606000       0.97742031       0.36650181       1.62170550
Cr      -0.43955000       2.93661000       2.21963000       1.34839969      -0.74373265       0.39781426
Cr       1.46158000      -0.20635000       1.01519000       0.85742916       1.98898928       0.36875588
Cr       3.01539000      -1.32169000       3.36911000       0.98502596      -3.81477868       1.02377383
Cr       4.40377000       0.05069000       1.16014000      -0.84467723      -2.31745737       0.20238157
Cr       2.68298000       1.50681000       3.15409000       0.46586063      -0.83353462       0.20521848
O       -0.04813000       1.36059000       1.05253000       1.14756436      -0.27634827      -0.88967695
O       -1.99332000       2.97544000       3.36909000       0.23366368       1.41376749       1.45587547
O       -1.54340000       0.03611000       3.29722000       0.08667563       2.44980206      -2.01397534
O        2.90647000       1.29365000       1.16787000      -0.21155682       0.14494798       0.05710041
O        2.30369000       4.32843000       1.46867000      -0.56386450      -0.10097009      -2.37952057
O        1.67968000      -0.06319000       3.00095000      -3.16938502      -0.90567365       0.06550325
O       -0.74377000       4.24863000       0.85898000      -0.20120929       1.36070190      -0.38660944
O        1.17680000       2.65942000       3.47623000      -1.11134654       1.26778481       0.27165365
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.67117387 magmom=20.0065556 free_energy=-108.67117387 stress="-0.057718239243701744 0.010062428305781955 0.02501713822910878 0.010062428305781955 -0.03552391914917649 -0.007127715041989459 0.02501713822910878 -0.007127715041989459 -0.07636214839966289" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10355000       0.12501000       4.26035000      -0.48793905      -0.84816998       0.49816734
Cr      -0.41688000       2.95276000       2.25425000       1.68169793       0.20088874      -0.95826944
Cr       1.41273000      -0.08951000       1.01200000       1.76073965      -0.92065055      -0.37443097
Cr       3.08845000      -1.46637000       3.43094000       0.23106091       0.91380640      -2.52007745
Cr       4.39997000       0.05998000       1.24407000      -0.07233257      -1.62220929      -1.91736222
Cr       2.62300000       1.41387000       3.13464000      -0.22436921       0.60953880      -0.46499375
O        0.16358000       1.42776000       0.99353000      -1.17250007      -0.42732370       0.47828496
O       -1.98275000       2.95641000       3.32441000      -0.48369886       0.88012760       1.33065242
O       -1.60998000       0.27764000       3.13663000       0.58843903      -1.15232924       0.53477729
O        2.83290000       1.19929000       1.12215000       0.60793875       1.46385868       0.36137097
O        2.39547000       4.22034000       1.31299000      -1.37421259       2.02693773       1.66054952
O        1.49089000      -0.25815000       3.00091000       0.58859112      -0.10222347      -0.58162502
O       -0.65679000       4.32582000       0.64605000      -0.59930680      -0.65421090       3.34805985
O        1.17733000       2.78755000       3.62829000      -1.04410824      -0.36804081      -1.39510348
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.29070066 magmom=20.0045751 free_energy=-108.29090035 stress="-0.04013919608182065 0.028390746912339417 -0.00037113752771095236 0.028390746912339417 -0.02160513814807502 -0.0012197254751003792 -0.00037113752771095236 -0.0012197254751003792 -0.07931384278753796" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07345000       0.14624000       4.30882000      -0.56515138      -0.43516261       0.45750171
Cr      -0.32223000       2.96874000       2.23651000      -0.70067788      -0.31551212      -0.56062725
Cr       1.45967000      -0.01093000       1.00273000       0.32626118      -1.40951387       0.98618008
Cr       3.16137000      -1.57237000       3.37267000      -2.05501058       3.53075931      -1.32238206
Cr       4.38659000      -0.01811000       1.21202000       0.44994671       0.76965409      -1.61114929
Cr       2.56533000       1.34853000       3.12156000       0.65618911       0.92103172       1.85486860
O        0.11421000       1.42695000       1.00620000      -0.94411579      -0.67729329      -0.46273791
O       -1.92044000       3.05611000       3.44884000       0.31377344      -1.21062580      -0.84578732
O       -1.53139000       0.34144000       3.08474000      -0.67423093      -1.35056296       0.91916066
O        2.84756000       1.36499000       1.14134000       0.46523525       0.01184923       0.80971233
O        2.27677000       4.38446000       1.28246000      -0.64778087       0.19736457       1.09201571
O        1.29594000      -0.40652000       2.97306000       2.46938336       1.27015147      -0.22947175
O       -0.65010000       4.31832000       0.95355000      -1.58229591       1.12173886      -2.35492102
O        1.00975000       2.88521000       3.54108000       2.48847431      -2.42387861       1.26763750
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.06941811 magmom=20.0018411 free_energy=-109.06941811 stress="-0.04677833802279385 0.030324267480410862 -0.00831424588716605 0.030324267480410862 -0.03948161104012036 0.006488699526029185 -0.00831424588716605 0.006488699526029185 -0.0570444014807584" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.55992000       3.01086000       0.01144000       0.50569448       0.23136051       0.22667961
Cr      -0.25961000       2.97226000       2.19235000      -0.19943364      -0.13608890      -0.04055511
Cr       1.50857000       0.00433000       1.03162000      -2.37765041       1.20184698      -0.10145037
Cr       3.13754000      -1.49516000       3.25107000      -0.34250195      -0.12254902       1.83068795
Cr       4.38481000      -0.04932000       1.09840000      -1.34613916       2.06735640       1.43438997
Cr       2.55850000       1.34404000       3.21094000       3.13523176       0.62824804       1.35365081
O       -0.12232000       1.34871000       0.97447000       1.62339988      -0.12465294      -1.14048411
O       -1.80618000       2.98597000       3.42819000      -1.53397011       0.11097532       0.37758939
O       -1.52537000       0.11336000       3.21155000      -1.58497996       0.26386814      -1.58754585
O        2.91505000       1.54730000       1.27702000      -0.33960741      -2.11101300       0.33256824
O        2.12561000       4.50814000       1.35136000       1.26719259      -2.18286923      -1.42939535
O        1.46166000      -0.26776000       3.01785000       0.08708008       0.13625341       0.68614972
O       -0.84189000       4.39427000       0.99189000       1.51743547      -0.88271672      -1.27617340
O        1.16695000       2.60652000       3.50471000      -0.41175162       0.91998102      -0.66611152
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.47291301 magmom=19.999657 free_energy=-109.47291301 stress="-0.05119479514627056 -0.008632007707798404 -0.0025774405932462354 -0.008632007707798404 -0.06889338233813778 -0.008015521299760063 -0.0025774405932462354 -0.008015521299760063 -0.055926717957760885" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.52728000       2.97543000       0.06263000       0.89245861      -2.20555785      -1.75846673
Cr      -0.24428000       2.95768000       2.15639000      -0.69612654      -0.36829734      -0.25738022
Cr       1.45085000       0.05225000       1.05702000      -0.27607216      -0.68808633       0.42996981
Cr       3.07821000      -1.44594000       3.22528000      -0.83409773      -2.67979538       0.16250655
Cr       4.33072000       0.00963000       1.06182000      -0.32479226      -0.77218975       0.17032936
Cr       2.71623000       1.37762000       3.34728000       1.08719902       0.43487959      -1.37932308
O       -0.08933000       1.31380000       0.82854000       0.67502172       0.70157987       0.75946430
O       -1.86739000       2.93847000       3.41465000      -0.07284244       0.77362850       0.38019955
O       -1.61347000      -0.00030000       3.13512000       1.54392316       2.02550080      -0.63902301
O        2.88585000       1.41565000       1.35982000      -0.07821599      -0.56504299      -0.89985001
O        2.16788000       4.33245000       1.20566000      -1.10670847       2.78526949       2.13971921
O        1.57213000      -0.12449000       3.18806000      -0.93325849      -1.67695680      -1.30786115
O       -0.77515000       4.33957000       0.88322000       0.19316102       0.99844269       1.08713755
O        1.19281000       2.56750000       3.36957000      -0.06964946       1.23662549       1.11257786
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.38095347 magmom=20.0022655 free_energy=-109.38095347 stress="-0.055002369205710985 0.0010041142587617518 -0.008188150351020277 0.0010041142587617518 -0.06869119437346867 0.0032203158584499553 -0.008188150351020277 0.0032203158584499553 -0.054495107378613426" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53475000       2.85838000       0.04530000      -0.14991735       0.02599991      -0.12473240
Cr      -0.28156000       2.91720000       2.11793000      -0.90564730      -0.50315540       0.45233876
Cr       1.38208000       0.06301000       1.09981000       0.65030299      -0.81199973       0.94173892
Cr       3.00665000      -1.51003000       3.22567000       1.60917953       1.89093223      -0.23813126
Cr       4.27346000       0.03433000       1.04853000       1.38464041      -0.72738190      -0.05353607
Cr       2.90321000       1.40878000       3.38648000      -2.66073203      -0.83328364      -1.85681963
O        0.02512000       1.42590000       0.84622000      -1.03062028      -0.24741081       0.08910429
O       -1.90430000       3.02474000       3.42791000       0.41640345       0.62180557      -0.00727665
O       -1.46115000       0.17607000       3.01597000      -0.23284579      -0.56969525       0.53287560
O        2.82167000       1.27193000       1.26615000       0.79475419       1.94549040       0.64866136
O        2.11860000       4.43555000       1.25845000       0.16098209      -0.41217779      -0.20927856
O        1.50194000      -0.21381000       3.17751000       0.80768482       0.55086466      -0.65590689
O       -0.62821000       4.38081000       0.95834000      -1.69490396       1.05315015      -1.01046289
O        1.13099000       2.78523000       3.39087000       0.85071924      -1.98313841       1.49142542
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.08291723 magmom=20.0002996 free_energy=-109.08291724 stress="-0.03089245233480316 0.027516189293779015 -0.001195724731673728 0.027516189293779015 -0.04184892597953455 0.003277620402036515 -0.001195724731673728 0.003277620402036515 -0.08414553512376405" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00292000      -0.14740000       4.34960000      -0.48033806       1.87355555      -0.39405497
Cr      -0.37634000       2.86628000       2.11269000      -0.21571408       1.45917711       1.62833642
Cr       1.36426000       0.04768000       1.18903000       0.94856962       1.02924950      -1.21588581
Cr       3.02053000      -1.48456000       3.21542000       1.08759719       0.62766662       0.82372144
Cr       4.28831000       0.02103000       1.05097000       0.76169091       0.45134807       1.13360102
Cr       2.94152000       1.40472000       3.30857000      -2.13045963       1.48689839       0.10208647
O       -0.04668000       1.48884000       0.92357000       0.55713512      -1.89100243      -1.89353711
O       -1.84605000       3.17715000       3.41249000      -0.73974345      -0.70802565       0.90407099
O       -1.33191000       0.25580000       3.04458000      -1.82872712      -0.36121678      -0.58852583
O        2.87618000       1.44385000       1.25120000       0.62171855      -1.95880722       2.28629298
O        2.12944000       4.46726000       1.27283000       0.00162331      -0.85566450      -0.53168698
O        1.51640000      -0.18943000       3.10700000       1.04898036       0.53276859       0.52953898
O       -0.73929000       4.50901000       0.95326000       0.28962169      -1.33310007      -0.23119207
O        1.17284000       2.72005000       3.55735000       0.07804557      -0.35284719      -2.55276552
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.90986739 magmom=19.9997791 free_energy=-108.90986739 stress="-0.048288517062100925 0.03072491792160846 0.01296988989242902 0.03072491792160846 -0.018345167841310697 0.01870320557107957 0.01296988989242902 0.01870320557107957 -0.07336292604326586" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01601000      -0.21208000       4.25988000       0.06014614       0.54904498       1.46037309
Cr      -0.52206000       2.86600000       2.19488000       1.57376294      -0.78472978      -1.08036502
Cr       1.40877000       0.06888000       1.24072000       0.70893392      -1.02695025      -1.98684525
Cr       3.11783000      -1.39745000       3.23609000      -0.64878643      -1.11820568      -0.68213247
Cr       4.36086000      -0.00017000       1.09448000      -0.71634735      -1.15836441      -1.57705595
Cr       2.83135000       1.49880000       3.22865000      -0.58250825       1.08961671       4.25499267
O       -0.09376000       1.33925000       0.81579000       0.74625243       1.28257566       1.34007602
O       -1.84497000       3.21292000       3.51058000      -0.47915075      -0.42986506       1.02868713
O       -1.47213000       0.21512000       3.07679000      -0.07600978      -0.42060090      -0.34774191
O        3.04853000       1.47707000       1.44687000      -0.71771588      -0.43757773      -3.94917453
O        2.21107000       4.32008000       1.17444000      -0.49051875       1.34632273       0.98287704
O        1.68541000      -0.03066000       3.16427000      -0.83305477      -1.43644038      -0.40206367
O       -0.81066000       4.38579000       0.92806000       1.38551215       0.69982556       0.19554245
O        1.18497000       2.57524000       3.31316000       0.06948437       1.84534854       0.76283041
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.17707947 magmom=19.9751765 free_energy=-108.17707963 stress="-0.07653896842457283 -0.007673414922170858 0.007844973473476364 -0.007673414922170858 -0.057747102778095916 0.02245840413776184 0.007844973473476364 0.02245840413776184 -0.041713000160138146" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.03067000      -0.22463000       4.22495000      -0.16008429       1.01149486       0.25607558
Cr      -0.61858000       2.83591000       2.25552000       1.04663928      -1.86559936      -1.18886474
Cr       1.51000000       0.04125000       1.19619000       0.36229523      -0.56626744       0.72190713
Cr       3.18555000      -1.36482000       3.24602000      -2.85144347      -1.69550827       0.57072787
Cr       4.42053000      -0.08209000       1.06949000      -0.45161831       0.96131557      -0.37206915
Cr       2.65447000       1.66088000       3.31453000       1.64941380      -3.68343144      -0.67151154
O       -0.04172000       1.36689000       0.91922000       0.42528111       0.16085391       0.25477865
O       -1.87882000       3.10865000       3.67375000      -0.15345089       0.52530081      -1.60858414
O       -1.58788000       0.11333000       3.07954000       1.84823982       2.37332695      -0.75134780
O        3.08687000       1.41015000       1.16554000      -0.50056591      -0.79881565       1.72272927
O        2.26955000       4.34176000       1.18509000      -0.02677244       0.71952750       0.35835958
O        1.70290000      -0.06592000       3.19752000      -0.94536645       0.04222242      -0.96108005
O       -0.61422000       4.30729000       0.97966000      -0.61206661       2.07978172      -0.79273438
O        1.16495000       2.77451000       3.06064000       0.36949914       0.73579842       2.46161370
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.79948272 magmom=20.0008995 free_energy=-107.79995061 stress="-0.09207009902962131 -0.022020520073737927 0.023284946725394134 -0.022020520073737927 -0.07632195059053005 -0.0037160792279113002 0.023284946725394134 -0.0037160792279113002 -0.050205716876479844" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04039000      -0.17319000       4.22351000      -0.08966540       0.38720004       1.14412403
Cr      -0.62109000       2.73548000       2.23893000       0.77002901      -0.00795226      -0.98145971
Cr       1.61610000      -0.01347000       1.16686000      -1.82608116       0.82630972      -0.93853888
Cr       3.12303000      -1.38254000       3.28520000       1.01035419       2.67398948       0.38195208
Cr       4.45915000      -0.10236000       1.02975000       0.04136496       3.38404715       1.06254851
Cr       2.56137000       1.63066000       3.37850000       1.59493943      -2.47562134      -1.99751516
O        0.05539000       1.43684000       1.07487000       0.86395015      -1.46944227      -2.51959886
O       -1.92404000       3.05175000       3.52821000      -1.16487437       1.13325525       0.71489953
O       -1.40306000       0.26799000       3.02843000      -2.07750189       0.13835809      -0.73766337
O        2.99094000       1.28612000       1.03506000       1.08264771       0.56614970       2.01346243
O        2.32329000       4.44671000       1.23529000      -0.17236063      -1.65269802       0.12904646
O        1.52424000      -0.11227000       3.10170000       1.59017759       0.88825082       0.32098763
O       -0.52669000       4.47926000       0.99549000      -1.34674943      -1.43377434      -0.33198001
O        1.13668000       3.05896000       3.20974000      -0.27623016      -2.95807201       1.73973533
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.09264262 magmom=20.0028065 free_energy=-109.09264262 stress="-0.03879852910908235 0.011113709836253281 -9.116604131139249e-05 0.011113709836253281 -0.031248476148029936 -0.01581413547736622 -9.116604131139249e-05 -0.01581413547736622 -0.0735186215120185" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.04882000      -0.09209000       4.26623000      -0.42887370      -0.28373151       1.18015092
Cr      -0.56371000       2.64192000       2.17167000      -0.27181819       0.65726377       0.35168031
Cr       1.61407000      -0.03934000       1.09653000      -1.03855849      -0.40153540      -1.36411448
Cr       3.08353000      -1.29606000       3.33488000       0.49080534      -1.13455503      -1.43060321
Cr       4.48740000       0.03596000       1.05968000      -0.85400004      -0.63080892       2.17103052
Cr       2.56887000       1.47188000       3.34042000       2.50194592       2.99643051      -0.73700853
O        0.20386000       1.35668000       0.90012000      -0.52045987       0.81703960       0.40673745
O       -2.04835000       3.12870000       3.36862000       0.86913404      -0.63991205       0.72805029
O       -1.42964000       0.40205000       2.97843000      -0.86585916      -0.35638324       1.36490990
O        3.00402000       1.32580000       1.19609000      -0.34201612       1.02293959       0.37275658
O        2.34564000       4.33141000       1.27933000      -0.66684678       0.95613743       0.49050210
O        1.53274000      -0.02186000       3.08398000      -0.16702438      -1.84921402      -0.31828495
O       -0.65130000       4.41759000       0.98326000       0.58428493      -0.65799781      -0.37786923
O        1.07952000       2.88501000       3.59236000       0.70928650      -0.49567292      -2.83793769
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.14591437 magmom=20.0047247 free_energy=-109.14591437 stress="-0.024262367903352695 0.04663766883746554 0.0011280223956192683 0.04663766883746554 -0.010590498612773168 -0.010301584697796136 0.0011280223956192683 -0.010301584697796136 -0.06099792763871543" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.47776000       2.86115000       0.00386000       0.74258612       0.24776085       0.47138841
Cr      -0.51917000       2.61445000       2.13456000       0.37221389       1.53124629       1.09337943
Cr       1.54887000      -0.07570000       0.97827000      -0.11567852       0.16228985       1.09852974
Cr       3.08575000      -1.28229000       3.30263000       0.11330214      -2.51479733      -0.85571274
Cr       4.46330000       0.12758000       1.16647000      -0.60011181      -2.36570933      -1.15409874
Cr       2.67583000       1.46558000       3.27448000      -1.15344262       1.09088560       0.57365639
O        0.18780000       1.40550000       0.84771000      -0.31099345      -0.75072502       0.23749305
O       -1.97415000       3.08977000       3.33085000       0.16318321       0.30989814       1.25675082
O       -1.51959000       0.39201000       3.15740000       0.13188165      -0.88493024      -0.90198762
O        2.97429000       1.52828000       1.32300000       0.28229492      -1.64947975      -0.64028529
O        2.26512000       4.35584000       1.34179000       0.03161708       1.29564171      -0.29887678
O        1.52347000      -0.16000000       3.06899000      -0.15438743       0.38913941      -0.46660252
O       -0.68128000       4.25362000       0.92866000       0.40699467       1.56663901      -0.08645100
O        1.10933000       2.61930000       3.54918000       0.09054014       1.57214081      -0.32718315
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.24288442 magmom=19.999055 free_energy=-109.24288443 stress="-0.0377824107617886 0.02185291894505218 0.006045401402227227 0.02185291894505218 -0.04390179054346616 -0.005964254119017538 0.006045401402227227 -0.005964254119017538 -0.06532007041629652" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.50591000       2.94215000       0.11746000       0.90419688       0.07960271      -1.24823471
Cr      -0.45376000       2.69298000       2.15627000       0.61271934       0.95953015      -0.03048466
Cr       1.48053000      -0.09291000       0.95025000      -0.02993908       2.09970135       3.32515785
Cr       3.08532000      -1.40843000       3.22873000      -0.97458014      -0.23151139       1.01602607
Cr       4.41077000       0.08125000       1.20681000       0.18531514      -0.81297893      -1.49611127
Cr       2.71833000       1.52835000       3.24562000      -0.90793832      -2.36692514       0.01716027
O        0.03809000       1.36590000       0.89631000       0.41572732      -1.00989380      -1.11961868
O       -1.82705000       3.05281000       3.44037000      -1.21931514       0.74083662      -0.64514304
O       -1.53878000       0.20015000       3.23380000      -0.47361227       0.44848916      -1.37201347
O        2.94644000       1.49149000       1.28169000       0.43727609      -1.33272765       0.49215351
O        2.22086000       4.52857000       1.28280000       1.02104017      -1.21495428      -0.18719911
O        1.46444000      -0.23589000       3.03698000       0.61173597       0.85019353       0.23404514
O       -0.61975000       4.31804000       0.89106000      -1.12277036       0.62116495      -0.16292619
O        1.15278000       2.65723000       3.33877000       0.54014440       1.16947273       1.17718828
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.93553518 magmom=20.001579 free_energy=-108.93553518 stress="-0.08246835934606593 -0.04000954283554105 0.006840891720494141 -0.04000954283554105 -0.11513873736210745 -0.016365579824094263 0.006840891720494141 -0.016365579824094263 -0.0389497026668884" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59665000       3.00741000       0.15517000       0.30009735      -2.76799274      -2.79218686
Cr      -0.34496000       2.83860000       2.17829000      -1.01636582      -0.11268068      -1.44151531
Cr       1.42084000      -0.00498000       1.10034000       0.68690540       0.26088216      -0.78064402
Cr       3.04329000      -1.52992000       3.20151000       2.17168098       4.07410201       0.42577713
Cr       4.37215000      -0.01795000       1.15772000       0.36294854       0.59140837      -0.90006843
Cr       2.70088000       1.46555000       3.22040000       0.83657212      -0.83128598       0.46095014
O       -0.08088000       1.24099000       0.84645000       0.94697345       2.01804229       0.62038245
O       -1.84029000       3.07774000       3.43266000      -0.75668409      -0.62397775       0.03507407
O       -1.57039000       0.04628000       3.12728000       0.19839304       1.13646841       0.33090490
O        2.92257000       1.30027000       1.24558000      -0.43360496       1.14948636       0.29066661
O        2.27852000       4.47611000       1.16426000      -2.36209972       0.54588702       2.34750320
O        1.49681000      -0.12135000       3.09248000       0.29677320      -0.49287490      -0.14029249
O       -0.71395000       4.45565000       0.87100000      -0.21400090      -1.32130903      -0.01401460
O        1.20897000       2.85278000       3.27017000      -1.01758859      -3.62615556       1.55746321
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.60328345 magmom=20.0069486 free_energy=-109.60328345 stress="-0.049331400754390534 0.0006139813284185953 1.9812609663565006e-05 0.0006139813284185953 -0.056003550198602425 0.00138573058124604 1.9812609663565006e-05 0.00138573058124604 -0.050985874091216805" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.69850000       2.95246000       0.05601000      -1.65746700       0.59508148       0.48061068
Cr      -0.28655000       2.98760000       2.13548000      -0.39444643      -0.22757129       0.83411991
Cr       1.37982000       0.10384000       1.21876000      -1.11131327      -1.86254777      -2.83364881
Cr       3.08102000      -1.47385000       3.21751000      -0.04572869      -0.85552861       1.64038424
Cr       4.34511000      -0.07796000       1.05977000      -1.14038154       1.09763802       0.18009111
Cr       2.73512000       1.35841000       3.22446000       1.34211431       2.33815382       1.18601406
O       -0.08008000       1.42642000       0.92645000       0.07388296      -1.03678531      -0.65761923
O       -1.95733000       2.97893000       3.35100000       0.16326536       0.41573297       0.86175316
O       -1.54409000       0.07020000       3.06695000       0.33922672       0.26478720       0.01034864
O        2.82604000       1.31641000       1.22450000       0.96596127       0.34946526       0.24415115
O        2.03741000       4.37328000       1.31718000       0.37940666       0.06728582      -0.72790788
O        1.55453000      -0.09686000       3.16553000       0.05432359      -2.06375472      -0.99398142
O       -0.80410000       4.36111000       0.90044000       0.60480954       0.51775783      -0.41875294
O        1.13542000       2.60070000       3.42745000       0.42634653       0.40028530       0.19443732
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.9695279 magmom=20.0030663 free_energy=-108.9695279 stress="-0.024557092082865578 0.0412768721384653 -0.0050149678541608145 0.0412768721384653 -0.0181034311594918 0.009454236064458743 -0.0050149678541608145 0.009454236064458743 -0.06017581803924923" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15895000       0.02785000       4.32960000      -1.32282633       1.40403827       1.17593695
Cr      -0.26058000       3.08668000       2.14357000       0.91336874      -1.22514918       2.00473458
Cr       1.30338000       0.11131000       1.17621000       1.32099255      -1.40995666      -0.92363353
Cr       3.13645000      -1.43888000       3.30388000      -0.28099014      -1.33596497      -0.46396511
Cr       4.26202000      -0.07250000       0.99581000      -0.49432462       0.49161539       1.87265299
Cr       2.83009000       1.36473000       3.28397000      -1.48267650      -0.06626410      -0.61105563
O       -0.06464000       1.49890000       0.95544000      -0.39648595      -1.39615475      -0.86734123
O       -1.98190000       2.95957000       3.37842000       0.91819891       1.16577815       1.01404628
O       -1.46760000       0.12836000       3.04465000      -0.38942909      -0.49435446      -0.32303634
O        2.84523000       1.41277000       1.23090000       0.04831118      -1.44868837       0.63855647
O        1.90008000       4.26119000       1.34902000       1.47791304       0.38863279      -0.85411060
O        1.57295000      -0.33974000       3.13284000       0.03402610       1.19365752      -0.47128968
O       -0.76342000       4.33967000       0.89154000      -0.69954379       1.90243731      -0.77238759
O        1.05672000       2.40472000       3.51753000       0.35346592       0.83037306      -1.41910756
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.38849746 magmom=20.0024777 free_energy=-108.38849746 stress="-0.04487013470094446 0.04963881902751081 -0.0060487360408248945 0.04963881902751081 -0.027207914941508555 0.0034906370729635853 -0.0060487360408248945 0.0034906370729635853 -0.08879410486527056" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07412000       0.04718000       4.30539000       1.17852983      -1.37520840      -0.62549228
Cr      -0.19485000       3.11592000       2.24342000      -1.55073867       1.05465034      -2.64911722
Cr       1.30332000       0.03391000       1.06605000       2.29210157       0.32157931       2.48120257
Cr       3.18119000      -1.47779000       3.37212000      -1.47206666      -0.17603183      -2.63206657
Cr       4.13987000      -0.03420000       1.02405000       2.12214029      -0.85828508      -0.58334214
Cr       2.86608000       1.40036000       3.30868000      -1.71220472      -0.26696043      -1.35622553
O       -0.12714000       1.36482000       0.88952000      -0.42167511       0.57941526       1.04292064
O       -1.80507000       3.11792000       3.54392000      -0.41528594      -0.96945390      -1.41739695
O       -1.45083000       0.09076000       3.03074000      -1.09835254       0.10379818       0.09741181
O        2.86023000       1.32709000       1.29738000      -0.94984921       0.75371202       0.09996509
O        2.06991000       4.17385000       1.17352000      -0.85121653       2.64701163       2.40961158
O        1.52832000      -0.38608000       3.06345000       0.65468801       0.51490847      -0.04672069
O       -0.79397000       4.55214000       0.85898000      -0.55204878      -2.26763127       0.64352850
O        1.01278000       2.40485000       3.36119000       2.77597844      -0.06150431       2.53572117
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.48825052 magmom=20.0015897 free_energy=-108.48825054 stress="-0.06143067952823795 -0.010634581823751951 -0.0018554937647982936 -0.010634581823751951 -0.0608062475043201 0.013951693277635424 -0.0018554937647982936 0.013951693277635424 -0.0637106068549618" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.00536000       0.01793000       4.25942000       0.26792546       0.09510456       0.81640030
Cr      -0.16424000       3.17482000       2.25763000       0.96628687      -1.52886562      -0.85903744
Cr       1.43262000      -0.06713000       1.05916000      -2.11296662       0.67566683       1.24408037
Cr       3.15595000      -1.54732000       3.31640000      -0.84357972       0.61101791       0.09560237
Cr       4.13528000      -0.00700000       1.04567000       4.25526254       0.95731440       0.35805367
Cr       2.79908000       1.42989000       3.25431000      -0.32344601      -1.48241233       1.20739936
O       -0.25693000       1.29467000       0.96013000       1.68511863       0.81920073      -0.40235625
O       -1.63260000       3.15219000       3.48937000      -2.60730546      -1.12353131       0.37255795
O       -1.60869000       0.04202000       3.10632000       0.08438431       1.04535639      -0.42201559
O        2.70201000       1.34757000       1.35048000       0.98622282       0.81796962      -1.04081620
O        2.22528000       4.39063000       1.23537000      -2.48967917      -2.25868674       0.39127588
O        1.46785000      -0.27956000       3.03518000       1.10334466      -0.38529502       0.16014211
O       -0.85688000       4.39850000       1.00171000       0.40558459       0.46258488      -1.58272696
O        1.30752000       2.57294000       3.45325000      -1.37715290       1.29457568      -0.33855956
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.44295662 magmom=19.998733 free_energy=-108.44295698 stress="-0.06791165428794653 -0.011189627277826773 -0.019437463726346246 -0.011189627277826773 -0.0683151506263697 0.02571079751459072 -0.019437463726346246 0.02571079751459072 -0.058760251983324914" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.08597000      -0.03636000       4.22929000      -0.18369067       0.98858388       0.87152485
Cr      -0.12195000       3.15332000       2.23043000      -0.09859006      -1.86514781       0.81643227
Cr       1.48246000      -0.12620000       1.13421000      -2.45946452       2.49610159      -1.68279080
Cr       3.11373000      -1.53491000       3.24438000       1.85762603       2.55926224       1.81673267
Cr       4.35392000       0.04743000       1.09621000      -0.95401236      -0.48910519       1.23970541
Cr       2.68549000       1.39580000       3.23176000      -0.08852703       1.22340023       0.77714155
O       -0.12013000       1.39023000       1.02597000       1.17273724      -0.46873397      -0.64483439
O       -1.80019000       2.96897000       3.36839000      -0.96139826      -0.08117059       1.11363626
O       -1.72296000       0.13675000       3.16270000       1.43478060      -0.05619485      -1.51173828
O        2.64650000       1.52160000       1.23959000       1.54868358      -2.27700866       0.94588642
O        2.10867000       4.35666000       1.34683000       1.02765655      -0.94980550      -1.58150870
O        1.49209000      -0.18923000       3.10517000       0.19658187      -0.64554187      -0.40741898
O       -0.82925000       4.24474000       0.92741000      -0.01527813       2.36103014      -1.36784818
O        1.33117000       2.82113000       3.54122000      -2.47710485      -2.79566964      -0.38492011
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.81604657 magmom=20.0060069 free_energy=-108.81604671 stress="-0.048044586077884685 0.005807209479410724 -0.02727439115181976 0.005807209479410724 -0.0317536014378971 0.00887952121838876 -0.02727439115181976 0.00887952121838876 -0.0734051563062229" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14619000      -0.05556000       4.26241000       1.23945059      -0.57934138       1.21868308
Cr      -0.13615000       3.04469000       2.21839000      -2.59140357       0.80389006      -1.64459339
Cr       1.42459000      -0.07145000       1.11744000       1.56255544       0.26126291      -1.38643847
Cr       3.14829000      -1.42695000       3.26075000      -1.14274336      -1.61527752       0.25920789
Cr       4.48452000       0.08040000       1.17446000      -2.62443669      -0.20346918      -2.08474754
Cr       2.60391000       1.41056000       3.24137000       0.04022367       0.56502954      -0.82839826
O        0.13219000       1.44168000       0.99968000      -0.83326460      -0.50174472      -0.77245088
O       -2.01984000       2.86299000       3.40815000       1.36684494       2.07504822       0.08086921
O       -1.58302000       0.20458000       3.04134000      -0.57238857      -0.06331177       0.30381727
O        2.82319000       1.39049000       1.20813000       0.77155783      -1.17242251       0.58907285
O        2.12168000       4.19827000       1.23165000      -0.19912285       1.92281376       1.49360630
O        1.49229000      -0.19359000       3.13960000       0.14062452      -0.92750218      -0.91248021
O       -0.73541000       4.40102000       0.79167000      -0.05286195      -0.65913732       2.21360884
O        1.03309000       2.67686000       3.54440000       2.89496460       0.09416207       1.47024329
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.47071304 magmom=20.0065481 free_energy=-109.47071305 stress="-0.0470377275086999 0.046343011348477674 -0.013753934880785398 0.046343011348477674 -0.03700234703861683 0.004904683920600623 -0.013753934880785398 0.004904683920600623 -0.057268021327252665" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.12484000      -0.08905000       4.35062000       1.24796186      -0.42073431       0.67102004
Cr      -0.25239000       2.98111000       2.16412000      -0.15194575      -0.48045722       1.30794337
Cr       1.45842000      -0.02101000       1.04036000       1.27951559      -0.91342465       0.51439464
Cr       3.12679000      -1.42404000       3.28870000      -0.96308055      -0.03274431      -0.80252298
Cr       4.45102000       0.08107000       1.14253000      -0.01576370      -2.18792627       0.01640405
Cr       2.57468000       1.45479000       3.23298000       2.22517008      -1.31085097       0.68521512
O        0.13755000       1.44779000       0.91148000      -0.74576606      -0.07862400       0.13635222
O       -1.95995000       3.05289000       3.41965000       0.52810868      -0.51050502      -0.47912459
O       -1.51053000       0.19490000       3.06480000      -1.23015641       0.23642641       0.28921691
O        2.98695000       1.20799000       1.23783000      -1.76658522       2.57200076      -0.03272587
O        2.13590000       4.29960000       1.27195000       0.53367619       0.58325192       0.42857400
O        1.46644000      -0.27234000       3.06999000       0.44214921       0.81632460       0.16294927
O       -0.66309000       4.40539000       0.99079000      -1.13681640       0.58934509      -1.88961237
O        1.14313000       2.64226000       3.57844000      -0.24646749       1.13791799      -1.00808381
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.55239328 magmom=20.0002563 free_energy=-109.55239328 stress="-0.04500253065982075 0.010370905569514099 -0.0008920560264363084 0.010370905569514099 -0.05974457280009763 0.01806325302983725 -0.0008920560264363084 0.01806325302983725 -0.04894446219096896" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.50365000       2.75431000       0.09612000      -0.92131913       2.44834024      -2.15404782
Cr      -0.38022000       2.90672000       2.16167000       1.04324316      -0.32882853      -0.67522480
Cr       1.55784000      -0.01804000       0.99099000      -2.10779318       0.48444969       0.89843667
Cr       3.06176000      -1.42782000       3.27595000       0.76577340       1.07608999       0.17742494
Cr       4.38484000      -0.01080000       1.09944000       0.54672956       1.27118374       0.57030595
Cr       2.66223000       1.43535000       3.26073000       0.60558071       0.29757484       0.38294195
O       -0.03135000       1.44413000       0.89474000       0.74174324      -1.17561065      -0.16737092
O       -1.78793000       3.16508000       3.35459000      -2.10144796      -0.47285219       1.76385079
O       -1.59090000       0.18519000       3.21129000       0.08201027       0.47345346      -1.12847831
O        2.88718000       1.42236000       1.25481000       1.22301228      -2.39720266       2.01015294
O        2.26125000       4.44961000       1.31448000      -0.26133401      -1.04400003      -0.91636901
O        1.47924000      -0.17666000       3.07670000       0.42938854       0.34412660      -0.16046355
O       -0.73764000       4.42324000       0.95550000       0.62899454       0.21038390      -1.17077525
O        1.21746000       2.80223000       3.40547000      -0.67458140      -1.18710840       0.56961643
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.00335509 magmom=20.0028961 free_energy=-109.00335509 stress="-0.05250351169648026 -0.02324694555298307 0.016162196666601118 -0.02324694555298307 -0.07018033430287837 -0.0016480565598826146 0.016162196666601118 -0.0016480565598826146 -0.08027274602582943" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.56419000       2.82474000       0.10382000      -0.50300261      -0.57147555      -1.09243390
Cr      -0.47229000       2.80956000       2.13627000      -0.02765624       0.18996165      -0.40957034
Cr       1.55066000       0.00153000       1.00529000      -1.59622512       0.49622053       1.91681749
Cr       3.01913000      -1.37598000       3.26166000       0.34621185      -0.76835811       0.22038955
Cr       4.36142000      -0.05156000       1.08513000       0.81581976       1.24257874      -0.42221795
Cr       2.79313000       1.43041000       3.31301000      -1.46194322       2.16178024      -0.83860069
O       -0.12322000       1.31511000       0.91862000       1.41110099       0.41764813      -0.59747935
O       -1.86052000       3.14391000       3.47181000      -0.44654045       0.17214531      -0.54011370
O       -1.58975000       0.19392000       3.21364000       1.44531742      -0.73215054      -0.68742580
O        2.89137000       1.42583000       1.44633000       0.85029409      -0.67467075      -2.48624353
O        2.32360000       4.37386000       1.19168000      -1.74677625       0.67178405       1.38166920
O        1.53786000      -0.00350000       3.12492000      -0.02528305      -1.76503118      -0.92233795
O       -0.69146000       4.44161000       0.78064000       0.20046230      -0.25139008       2.70376069
O        1.12440000       2.82777000       3.25401000       0.73822052      -0.58904243       1.77378628
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.08060339 magmom=20.0028058 free_energy=-109.08060354 stress="-0.048258075068773346 0.005205351446106933 0.012959669084193891 0.005205351446106933 -0.06567086627282286 -0.012136283177251067 0.012959669084193891 -0.012136283177251067 -0.0387016175588923" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.62289000       2.92564000       0.01860000       0.74404178      -0.69846757       0.46715177
Cr      -0.55973000       2.69749000       2.08386000      -0.18732122       0.57808107       1.57081497
Cr       1.43350000       0.06124000       1.14155000       1.56575677      -0.71846717      -0.13013071
Cr       2.99545000      -1.35269000       3.25728000       0.93225206      -1.86521744      -0.31564707
Cr       4.39214000      -0.02929000       1.04603000      -0.33406766      -1.84706177       0.25941248
Cr       2.86800000       1.52491000       3.33309000      -2.25746270      -2.63290707      -0.79299143
O       -0.01320000       1.30667000       0.90038000      -0.24718085       0.84102088      -0.61286376
O       -2.02195000       3.09072000       3.49561000       1.87571238       1.33856520      -0.55634017
O       -1.33488000       0.08258000       3.10681000      -2.21233704       0.86674582      -1.00589676
O        3.02513000       1.28099000       1.27589000      -0.73306257       1.67784015       0.22051260
O        2.08436000       4.33241000       1.23876000       0.86310696       1.37108663       0.87489005
O        1.58567000      -0.06603000       3.09688000       0.06919877       0.29635026       0.32516196
O       -0.55916000       4.36041000       1.01189000      -1.51802514       0.63749594      -1.31145666
O        1.05427000       2.71784000       3.35592000       1.43938846       0.15493507       1.00738271
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.0852067 magmom=20.003586 free_energy=-108.08535899 stress="-0.04952935087791789 0.03895978246694935 0.025638432303106046 0.03895978246694935 -0.03231860321001633 -0.02707384806198266 0.025638432303106046 -0.02707384806198266 -0.10144759735592818" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15827000       0.11315000       4.29326000      -2.06969947       0.60552468       1.49321955
Cr      -0.64519000       2.62819000       2.10637000       1.01202071       0.63413945       0.51438624
Cr       1.38217000       0.09160000       1.28339000       1.36987224      -0.26816525      -2.64652328
Cr       3.02526000      -1.43322000       3.24377000       1.32134409      -0.19417962       0.57713085
Cr       4.39620000      -0.08098000       1.02769000      -0.93505406       0.60951065       1.67723031
Cr       2.83746000       1.52043000       3.30762000      -0.09031672      -1.24163221       0.00984323
O        0.05572000       1.45733000       0.83321000      -0.11613275      -1.37529825      -0.31177348
O       -1.90860000       3.14836000       3.36937000      -1.33560236      -0.39552901       1.91704110
O       -1.33760000       0.08705000       2.95020000      -1.53158910       1.46263253       1.11180226
O        3.02306000       1.39955000       1.00970000      -0.45007912      -0.48565052       2.35259600
O        2.03331000       4.47943000       1.36481000       1.30419200      -0.94883964      -1.77728073
O        1.60467000      -0.10454000       3.16814000       1.23175625       0.56715393      -0.30219242
O       -0.65307000       4.33862000       1.15854000      -0.03224310       1.01270191      -1.92664400
O        1.17729000       2.63967000       3.55194000       0.32153139       0.01763135      -2.68883563
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.55164346 magmom=19.9974294 free_energy=-108.55164347 stress="-0.10676424386007369 0.02729973543001783 0.029519895145133302 0.02729973543001783 -0.07135733486918198 -0.029054457895382618 0.029519895145133302 -0.029054457895382618 -0.03394361347804783" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.13808000       0.19456000       4.28039000      -1.11960894      -0.62439639      -0.00595685
Cr      -0.67038000       2.63029000       2.15238000       1.27344952       0.61120803      -0.58787532
Cr       1.42777000       0.08961000       1.27487000       0.44638714      -0.33110128      -2.50756480
Cr       3.12878000      -1.53069000       3.24491000      -0.38663535       2.00017171      -0.22595106
Cr       4.34787000      -0.09965000       1.06958000       0.85805673       3.41138323      -1.24021144
Cr       2.79257000       1.44541000       3.28352000       0.26977125       2.04862848       0.63556282
O        0.01264000       1.42103000       0.81657000      -0.29976976      -0.95737298       0.78165045
O       -1.91520000       3.09868000       3.49054000       0.25270343      -0.56626987       1.09476282
O       -1.56740000       0.32199000       3.03264000       2.34653079      -1.73876951      -0.10949898
O        2.89547000       1.52334000       1.11250000       0.43356010      -1.42475741       1.65620773
O        2.24700000       4.45274000       1.20326000      -2.21338239      -0.36695984       1.44480904
O        1.72382000      -0.06171000       3.23217000      -1.04434505      -2.25458232      -1.55786993
O       -0.75471000       4.41503000       1.01499000       1.33736498      -0.62703112       0.24902068
O        1.31895000       2.63064000       3.36173000      -2.15408243       0.81984926       0.37291483
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.55237694 magmom=19.9988421 free_energy=-108.55237695 stress="-0.05725553719177077 -0.010879400762505499 0.015313070095698654 -0.010879400762505499 -0.052038327658513295 -0.017771794695008447 0.015313070095698654 -0.017771794695008447 -0.0817231758472555" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05435000       0.22985000       4.27537000       2.44977319      -1.94443644       0.43693226
Cr      -0.61156000       2.68866000       2.16381000       0.47865451       0.57170145       0.00256516
Cr       1.49682000       0.05474000       1.14024000      -0.87247094      -1.56479443       2.27279007
Cr       3.21372000      -1.53221000       3.24669000      -1.41788803       1.28793255       0.10515367
Cr       4.32927000       0.02789000       1.05841000      -0.41809679      -1.02960939      -0.06791561
Cr       2.74190000       1.44478000       3.30366000      -0.88343133      -1.16910969       1.20492553
O       -0.10986000       1.25974000       0.96194000       1.74720275       1.36929206      -1.33641551
O       -1.88347000       2.93497000       3.67182000       0.42729182       1.46972562      -3.04886242
O       -1.43474000       0.28878000       3.18929000      -1.89062023      -1.14721361      -1.99741757
O        2.82675000       1.46327000       1.42128000       1.20851002       0.10093265      -2.22237468
O        2.21352000       4.39519000       1.21417000       0.06304505       1.42830584       1.18894536
O        1.67413000      -0.29342000       3.08518000      -0.59962174       1.18861667       0.75232541
O       -0.67653000       4.38410000       0.91877000      -0.97426495       0.12729726       0.59253879
O        1.15648000       2.77056000       3.18370000       0.68191667      -0.68864055       2.11680951
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.29279225 magmom=20.0003008 free_energy=-109.29279249 stress="-0.0477142641875704 0.003091726327604643 0.023928119972726543 0.003091726327604643 -0.03822223850665241 -0.013462614945179956 0.023928119972726543 -0.013462614945179956 -0.060254631060460924" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07734000       0.17267000       4.29600000      -0.11022358      -0.33013682       1.40518876
Cr      -0.50143000       2.77922000       2.15733000       1.45964834      -0.19806992      -1.03863912
Cr       1.50846000      -0.04174000       1.10193000      -1.41045235       0.75867883       0.35130344
Cr       3.20253000      -1.46576000       3.25975000      -1.52054929      -0.89014572       0.40351075
Cr       4.31221000       0.10693000       1.03914000       0.95886801      -1.34084406       0.67601957
Cr       2.65051000       1.41031000       3.36628000       0.52159760      -0.36067782      -1.39627354
O        0.01002000       1.34508000       0.93151000       0.55521185      -0.28463667      -0.96926139
O       -1.80801000       2.97119000       3.42671000      -2.45959408       0.36352747       2.05445731
O       -1.44936000       0.01254000       3.10318000      -0.62447535       1.81679832      -0.48443214
O        2.90314000       1.40045000       1.35723000      -0.50929971       0.41037766      -0.39292929
O        2.20997000       4.47569000       1.31935000       0.52040422      -0.99842806      -0.99335401
O        1.47806000      -0.27834000       3.08926000       1.51178015       0.78032715      -0.24005201
O       -0.72059000       4.32522000       0.95790000      -0.54609395       1.08701517      -0.64807972
O        1.06133000       2.79565000       3.35619000       1.65317815      -0.81378553       1.27254140
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.17922096 magmom=20.0014198 free_energy=-109.17922096 stress="-0.04042920003267595 0.008381957092404978 0.00793474927480355 0.008381957092404978 -0.05169685372680231 -0.015795512012504336 0.00793474927480355 -0.015795512012504336 -0.08176797195716513" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.64309000       2.97552000       0.02153000      -1.30398185      -0.48608078      -0.42790322
Cr      -0.34793000       2.85732000       2.12791000      -0.31573622      -0.06826019       1.21327317
Cr       1.45407000      -0.09157000       1.10198000       0.23947624       1.48071177      -1.26121348
Cr       3.11464000      -1.45052000       3.27918000      -0.15244095      -0.30768037      -1.04740717
Cr       4.33326000       0.09925000       1.06964000       0.63765101      -0.50198710       1.38647505
Cr       2.60448000       1.36639000       3.35644000       2.48817538       2.10401417      -1.47628283
O        0.17091000       1.45773000       0.82401000      -1.13372937      -0.72362602       1.13661064
O       -1.98711000       3.03037000       3.35557000       0.80091945      -1.12134259       0.70856326
O       -1.55314000       0.06820000       3.00322000       0.11715942       1.57014669       1.25791673
O        2.89065000       1.40606000       1.16831000      -0.34581012      -0.81633970       1.24939919
O        2.27589000       4.39278000       1.23404000      -1.56458009       0.75016536       1.23823669
O        1.49140000      -0.10118000       3.10084000       0.44028113      -2.18640533      -1.09327062
O       -0.79488000       4.37567000       0.96020000       0.58667425       0.14164787      -0.16729635
O        1.16610000       2.70640000       3.58809000      -0.49405828       0.16503621      -2.71710104
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.62176604 magmom=19.9975731 free_energy=-109.62176604 stress="-0.05991458874993965 0.02352395943786824 -0.010095570007708355 0.02352395943786824 -0.06206702948913734 0.005878560377005846 -0.010095570007708355 0.005878560377005846 -0.03479608155944951" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.58719000       2.87653000       0.07566000      -0.16901527       0.70362525      -1.59119565
Cr      -0.22753000       2.92631000       2.15565000      -1.56226496       0.57425475       0.13387397
Cr       1.40924000      -0.04981000       1.03696000       0.83968115       0.58218298       0.06869434
Cr       3.03567000      -1.46790000       3.25217000       1.25997300       0.43924552       0.13298813
Cr       4.38386000       0.05878000       1.15931000      -0.83880577      -0.32109895      -0.51829954
Cr       2.68010000       1.42566000       3.26279000      -0.69752259      -0.37827875      -0.45027335
O        0.04955000       1.44024000       0.93032000      -0.60439267      -1.13134381      -0.79271592
O       -2.00965000       2.93766000       3.40578000       0.98154700       1.59580475      -0.11362608
O       -1.55170000       0.36963000       3.14416000       0.63666797      -2.16141832      -0.45671795
O        2.81844000       1.32402000       1.16095000       0.90284099      -0.52541370       1.31871961
O        2.13708000       4.35681000       1.27094000       0.69675151       0.45597453       0.24138653
O        1.56108000      -0.23190000       3.01949000      -1.09016771       0.44297516       0.92910557
O       -0.73345000       4.41003000       0.95604000      -0.87190745      -0.19307541      -0.68834541
O        1.17103000       2.68676000       3.39255000       0.51661479      -0.08343401       1.78640575
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.09508595 magmom=20.0058818 free_energy=-109.09508595 stress="-0.05829926721397333 0.016100881092072916 -0.013865275932504733 0.016100881092072916 -0.04102717397485071 0.014183139595841493 -0.013865275932504733 0.014183139595841493 -0.05847443099826314" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.51098000       2.79970000       0.05448000       0.93382459       0.32849673       0.91841977
Cr      -0.19453000       3.01860000       2.18437000      -0.75346867       0.17917795      -1.04420677
Cr       1.40432000       0.02365000       0.97717000      -0.20626834      -1.26790650       1.99638582
Cr       3.01885000      -1.45886000       3.22909000       0.35741700       0.45528970       1.60386188
Cr       4.38519000      -0.01711000       1.23505000      -1.05345655      -1.63887503      -1.15163853
Cr       2.75537000       1.48655000       3.15383000      -0.57607231      -0.96057039       3.10219465
O       -0.18377000       1.31394000       0.99351000       2.22804299       1.31129170      -1.07528191
O       -1.83497000       3.06757000       3.40535000      -1.00844394       0.38569757      -0.38250336
O       -1.46374000       0.28612000       3.25636000      -2.01798717      -0.91680737      -1.95662739
O        2.87830000       1.24970000       1.30879000       0.22085483       0.97080999      -1.39228170
O        2.12515000       4.36289000       1.29556000       0.35881947       0.13510814      -0.38502553
O        1.41431000      -0.31208000       3.12369000       0.98213456       0.77493424      -1.08567832
O       -0.74511000       4.37732000       0.87624000      -0.02504634       0.47428816      -0.59076753
O        1.21435000       2.67814000       3.37353000       0.55964987      -0.23093489       1.44314892
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.5643938 magmom=20.0051015 free_energy=-108.56463597 stress="-0.04302095077107245 0.002807524527323324 -0.006628268146053327 0.002807524527323324 -0.05121307521578335 0.016221829505302942 -0.006628268146053327 0.016221829505302942 -0.06390559203071852" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.45359000       2.73846000       0.04979000      -0.54786401       0.60414989      -0.59044165
Cr      -0.21120000       3.12601000       2.15752000       1.29046055      -1.51074004       0.11673552
Cr       1.40341000       0.04989000       1.01758000       0.76998855      -0.04880280       0.59185825
Cr       3.01571000      -1.43140000       3.29603000      -1.37213522      -1.49363744       0.60949862
Cr       4.34346000      -0.17147000       1.23260000       1.45597274       2.28828503      -3.37117138
Cr       2.80058000       1.49586000       3.18969000      -0.49482360      -0.77551241       0.39018984
O       -0.09293000       1.38151000       0.92391000       0.53855747      -0.13580159       0.62483848
O       -1.75461000       3.30048000       3.32523000      -1.58480255      -1.73772440       1.35663889
O       -1.60911000      -0.05276000       3.11178000       0.62347949       3.59707163       0.52499218
O        2.97112000       1.37185000       1.24587000      -0.20015070      -1.46839716       1.12048414
O        2.21890000       4.33306000       1.20835000      -1.89325709      -0.04489844       0.93786033
O        1.35081000      -0.20941000       3.14423000       2.02966050       0.07085451      -1.92591365
O       -0.71824000       4.36447000       0.77639000       0.77520700       0.32774164       0.76351866
O        1.28111000       2.68120000       3.54231000      -1.39029312       0.32741157      -1.14908824
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.51732842 magmom=20.0023354 free_energy=-108.5173333 stress="-0.04052182038306273 0.020003816984919518 -0.026538223044828495 0.020003816984919518 -0.050074720457436356 0.03051505220790699 -0.026538223044828495 0.03051505220790699 -0.09478256182778023" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.37512000       2.69551000       0.01160000      -0.35907441       0.12008484      -1.42371017
Cr      -0.18241000       3.15638000       2.13876000      -0.66680068      -1.83048460       1.03067784
Cr       1.45358000       0.07519000       1.10632000       1.65267400       0.37708336      -1.76807213
Cr       2.95210000      -1.46006000       3.42308000       1.60497285       1.64466673      -2.22986920
Cr       4.35422000      -0.24864000       1.03889000      -1.17314012       1.87012575       1.65936636
Cr       2.82274000       1.45922000       3.27575000      -0.73557242       0.84837133      -2.17497807
O        0.15156000       1.52911000       0.96525000      -1.10602934      -0.56782388       0.13891073
O       -1.86761000       3.23084000       3.39765000      -0.32615756      -0.88327153       0.25778888
O       -1.69645000       0.11535000       3.00323000       1.93347834      -0.75965824       0.99202667
O        2.98014000       1.34814000       1.24148000       0.27772418      -0.51560085       0.48235243
O        2.08461000       4.24331000       1.19822000       0.39485104       0.83198030       0.90230921
O        1.54894000      -0.06260000       2.95880000      -0.76830695      -0.46599860       2.75620917
O       -0.54331000       4.41880000       0.84949000      -2.11894188       0.81119784      -1.10109073
O        1.08728000       2.76912000       3.49757000       1.39032296      -1.48067246       0.47807902
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.71727577 magmom=20.0026148 free_energy=-107.71748974 stress="-0.07321038364136889 0.015572916491280262 -0.045574082945699666 0.015572916491280262 -0.06395244042996837 0.019856428128451193 -0.045574082945699666 0.019856428128451193 -0.07437861946237682" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.25280000      -0.21382000       4.27734000       3.20327465      -0.99509675       2.73216343
Cr      -0.19599000       3.09623000       2.16290000      -1.90870497       0.80007286      -0.15888341
Cr       1.56486000       0.10649000       1.12833000      -2.73174692      -1.73484971      -0.00180045
Cr       2.95307000      -1.43175000       3.44222000       1.85779594       0.67751020      -1.48173329
Cr       4.31066000      -0.22020000       0.92069000      -0.94587627       1.15212425       4.08340983
Cr       2.81633000       1.45485000       3.25384000      -0.25696997       0.12166438      -0.05249511
O        0.23542000       1.62509000       1.04655000      -0.21011608      -1.43835206      -1.85963940
O       -1.97854000       2.99719000       3.48891000       1.45213101       2.46781820      -0.41435043
O       -1.43630000       0.28357000       3.08657000      -3.18800526      -0.48083486      -3.08017961
O        2.98678000       1.29161000       1.26305000       1.02384601       0.94788177      -0.56659407
O        2.01039000       4.21428000       1.28926000       1.11660031       1.12548225       0.57303518
O        1.59193000      -0.01880000       3.17545000      -1.03480812      -1.32540895      -0.07672991
O       -0.64868000       4.53127000       0.86837000       0.08897631      -1.11723684       0.27774386
O        1.09744000       2.67519000       3.43728000       1.53360336      -0.20077472       0.02605336
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.45381539 magmom=20.003356 free_energy=-108.45381543 stress="-0.049255890521355435 0.04743108525204614 -0.024537919558687397 0.04743108525204614 -0.03769937278190996 0.015489399956172423 -0.024537919558687397 0.015489399956172423 -0.056757415530501294" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.20119000      -0.25751000       4.29489000      -1.57504145       0.95396856       0.11220898
Cr      -0.30000000       3.04539000       2.17944000       0.67412272      -1.23100079       0.23976720
Cr       1.53863000       0.05286000       1.13037000      -2.21056819      -0.31893649       0.28648387
Cr       3.05373000      -1.37117000       3.36587000       0.46360086      -0.94982543      -0.36745447
Cr       4.23104000      -0.13114000       1.01042000       2.64659311       0.32118818      -0.78544436
Cr       2.79905000       1.47374000       3.22195000       0.12673583      -0.21667742       0.86397063
O        0.26193000       1.59500000       0.88436000      -0.07864982      -0.23691671       0.39950157
O       -1.83198000       3.09676000       3.46956000      -0.22671430      -0.06547463       0.12621491
O       -1.51474000       0.22871000       2.88137000      -0.21837762      -0.51305724       1.82272907
O        3.04324000       1.40549000       1.17070000      -0.76624146      -1.13536908       1.69567926
O        2.13060000       4.34018000       1.41662000      -0.39269388       0.14776247      -1.20970215
O        1.46235000      -0.18407000       3.44532000       2.36806267       0.75574079      -2.98051030
O       -0.76194000       4.43332000       0.95440000       0.78505846       0.92406373      -0.87650152
O        1.31225000       2.61779000       3.37584000      -1.59588693       1.56453407       0.67305731
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.10602788 magmom=20.000801 free_energy=-109.10602788 stress="-0.0529649976902222 0.017535944455344284 -0.005886838003721794 0.017535944455344284 -0.057937588493614356 0.012413745058936764 -0.005886838003721794 0.012413745058936764 -0.06277991792176825" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15702000      -0.25960000       4.33501000      -0.56076008       0.88764432      -0.34437505
Cr      -0.35937000       2.93750000       2.18760000       1.86396150      -1.18272976      -1.03468566
Cr       1.39497000      -0.02788000       1.14920000       1.67266801       1.14570913       0.37520322
Cr       3.16214000      -1.38046000       3.26784000      -1.30947870      -1.60147107       0.03509260
Cr       4.29216000      -0.02635000       1.05569000       1.47114749       0.89666803      -0.87267473
Cr       2.76920000       1.49173000       3.24145000      -0.61200561       0.01958309       1.03396028
O        0.24649000       1.57679000       0.82497000      -0.83176238      -0.63766830       0.98955215
O       -1.69190000       3.21616000       3.42412000      -2.59762091      -0.74876826       1.79571851
O       -1.62773000       0.12846000       3.00982000       2.13418838       2.07433761       0.22891267
O        2.93216000       1.39587000       1.30134000       0.12084835      -0.85337757       0.45957327
O        2.18806000       4.46201000       1.29420000      -0.43052951      -1.09946159      -0.86508408
O        1.56183000      -0.22791000       3.26099000      -0.20675675       1.38015276      -1.14654742
O       -0.71416000       4.41459000       0.97134000      -0.61403498       0.69179483      -1.26842140
O        1.26931000       2.81822000       3.40136000      -0.09986481      -0.97241322       0.61377564
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.93351819 magmom=19.998899 free_energy=-108.93351819 stress="-0.0468191495407945 0.013701512214701268 -0.014686842002631723 0.013701512214701268 -0.039556166353466746 0.008361698065042694 -0.014686842002631723 0.008361698065042694 -0.08820022791210112" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.41446000       2.66479000       0.01114000       1.59610270      -0.12232370       1.25192428
Cr      -0.34013000       2.81247000       2.17020000      -1.27607122       1.63234385       1.16618150
Cr       1.36066000      -0.04416000       1.17508000       2.67709414       1.00177393      -2.12713118
Cr       3.18690000      -1.43616000       3.18511000      -0.91046577       1.88523666      -0.12459458
Cr       4.40604000       0.08753000       1.04113000      -1.79280405      -0.38587350       1.29551057
Cr       2.72017000       1.50387000       3.30696000       0.39391025      -0.31466159      -0.28436024
O        0.08189000       1.48977000       0.94446000      -0.18550900      -1.67992842      -1.61826475
O       -1.84407000       3.16259000       3.50364000       0.09342887      -0.57383684      -0.41870991
O       -1.46106000       0.27305000       3.22709000      -2.16546704       0.05933808      -3.14556602
O        2.83739000       1.31661000       1.39919000       1.07476565       0.57309359      -1.25574129
O        2.19239000       4.39221000       1.05337000       0.58761979       0.42644193       1.80027308
O        1.60634000      -0.08569000       2.99107000      -0.41835975      -1.00457997       3.03720740
O       -0.74142000       4.44943000       0.86741000      -0.52943288      -0.82070116       1.02563452
O        1.16226000       2.88419000       3.46596000       0.85518832      -0.67632285      -0.60236338
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.45632474 magmom=19.9999496 free_energy=-109.45632474 stress="-0.052105169633742295 -0.004071720823602222 -0.00684228802722522 -0.004071720823602222 -0.05918052142257299 0.0071404976838868135 -0.00684228802722522 0.0071404976838868135 -0.04061912065444115" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48440000       2.73131000       0.07136000      -0.76549220       1.47422755      -2.20227490
Cr      -0.36899000       2.78216000       2.19916000      -0.71624338       0.41652017      -0.18045696
Cr       1.47162000      -0.01405000       1.11927000      -0.69690019      -0.63101396      -0.08349120
Cr       3.15060000      -1.39838000       3.11803000      -0.65382078      -0.05582637       1.55800215
Cr       4.39038000       0.13260000       1.08125000      -1.40931326      -2.91071261      -0.83335213
Cr       2.69068000       1.48843000       3.34683000      -0.31583076      -0.68554494      -0.75882331
O       -0.05479000       1.30855000       0.90418000       2.49871578       2.06159070      -0.71344034
O       -1.93763000       3.01463000       3.47028000       0.79598685       0.97876448      -0.06030270
O       -1.50984000       0.32809000       3.02450000       0.05096540      -1.15333999       0.99905102
O        2.90118000       1.37314000       1.24256000      -0.08163454      -0.75361456       1.66478136
O        2.28023000       4.35866000       1.14058000      -0.78818707       1.34010175       1.18361556
O        1.53131000      -0.10584000       3.17517000       0.66724902      -0.66871514      -1.15914131
O       -0.78870000       4.36193000       0.95151000       0.77746908       0.70634993       0.13399826
O        1.18261000       2.80842000       3.39308000       0.63703603      -0.11878701       0.45183451
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.23551623 magmom=19.9979011 free_energy=-109.23551623 stress="-0.06439138202409102 0.015273628320566243 0.005970128221708727 0.015273628320566243 -0.05247284378548835 -0.004403033865565691 0.005970128221708727 -0.004403033865565691 -0.052347687084662274" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53359000       2.88558000       0.03855000      -0.94999126       0.11655423      -0.15750932
Cr      -0.42677000       2.78619000       2.22277000       1.21878756      -0.76769910      -1.35727656
Cr       1.54591000      -0.00477000       1.03481000      -2.38691027       0.61947508       0.44305358
Cr       3.07630000      -1.36655000       3.16994000       0.80658925      -2.44870469       3.22603177
Cr       4.32787000       0.04389000       1.07520000       2.86829230       0.42939894      -0.85850541
Cr       2.65604000       1.42923000       3.34624000       1.26277906      -0.41739969      -0.31736322
O        0.11485000       1.42698000       0.80926000      -0.61020441      -0.53293519       0.51000237
O       -1.87397000       2.98169000       3.37590000      -1.32326995       0.51314304       1.54356432
O       -1.55832000       0.14399000       3.01410000       0.55716976       1.13674411       0.88078971
O        2.92052000       1.40292000       1.23724000      -0.12967000      -0.23430030       0.80520143
O        2.24658000       4.47029000       1.32708000      -0.59317766      -0.86316179      -2.35399288
O        1.52717000      -0.22599000       3.26478000       0.47058030       0.90338854      -1.74976997
O       -0.67118000       4.36997000       1.09122000      -0.44237487       1.19362182      -1.81990317
O        1.24236000       2.71036000       3.33947000      -0.74859982       0.35187501       1.20567735
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.91506979 magmom=20.0020542 free_energy=-108.91506981 stress="-0.05563613398346251 0.008450874069825899 0.008589225239804474 0.008450874069825899 -0.05626281821849938 -0.020123801459480145 0.008589225239804474 -0.020123801459480145 -0.06925099411611636" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.01744000       0.19124000       4.33153000       1.12876932      -1.77016493       0.05185447
Cr      -0.43682000       2.77176000       2.17656000      -0.27926149       1.04054477       0.30769285
Cr       1.49847000       0.04377000       0.96839000       0.85221787       0.82518646       2.23145200
Cr       3.03172000      -1.46044000       3.39790000       0.90873510       0.26318750      -3.11640282
Cr       4.40058000      -0.05647000       1.02580000      -1.00885884       1.00512123       2.59493023
Cr       2.68265000       1.34089000       3.31669000       1.44627255       1.47901796      -0.58794581
O        0.17717000       1.53455000       0.87851000      -0.98016191      -1.84157816       0.42552177
O       -1.91265000       3.03110000       3.42635000      -0.73155366      -0.08635050      -0.35354338
O       -1.51995000       0.06370000       3.22602000      -1.29480451       0.71785791      -2.12334807
O        2.88558000       1.41597000       1.33110000       1.00349721      -0.23559157      -0.54416612
O        2.13340000       4.44430000       1.16136000       0.59184206       0.54708427       1.75887648
O        1.55568000      -0.18564000       3.09082000      -0.53680066      -0.38089972      -0.02561925
O       -0.59662000       4.49639000       0.98263000      -1.47078363      -1.55938708      -0.50843781
O        1.14261000       2.67247000       3.45613000       0.37089058      -0.00402813      -0.11086456
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.02054397 magmom=20.0018788 free_energy=-109.02054397 stress="-0.05443733626349518 0.02890806692515183 0.018192774249474308 0.02890806692515183 -0.054858171021190824 -0.020368810371046955 0.018192774249474308 -0.020368810371046955 -0.07644187514036156" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08642000       0.29566000       4.25608000       0.33740895      -1.19246455      -0.02454944
Cr      -0.44968000       2.82208000       2.13909000      -0.19126227       1.54974435       1.03080220
Cr       1.47974000       0.12192000       1.02005000       1.26401484      -2.06568064       0.72298212
Cr       3.03094000      -1.54938000       3.48037000      -0.98124091       2.31431183      -3.47362656
Cr       4.42446000      -0.11062000       1.11594000      -2.28348884       0.61504261       1.34003095
Cr       2.78169000       1.32768000       3.24289000      -1.33326864       1.61348779      -0.42172748
O        0.00015000       1.33771000       1.06886000      -0.06334853      -0.48913325      -1.31647301
O       -2.01855000       3.03823000       3.41647000       1.07592820      -0.07127808      -0.00527319
O       -1.57502000       0.10498000       3.17849000       0.39854614      -1.06878572      -0.33268897
O        2.97322000       1.40558000       1.28619000       0.03829242      -0.11244941      -0.76559727
O        2.13657000       4.43582000       1.19740000      -0.02305993       0.51406809       1.67363961
O        1.47488000      -0.13652000       2.95260000       0.78041260      -0.70892561       0.90935351
O       -0.70647000       4.35465000       0.80941000       0.33967486      -0.61805981       1.13416524
O        1.06197000       2.68352000       3.52139000       0.64139111      -0.27987760      -0.47103769
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.320133 magmom=20.0082441 free_energy=-108.32013307 stress="-0.06976437284685162 -0.008678563024504222 0.01612759972561447 -0.008678563024504222 -0.05966614807565167 -0.0013306604417529645 0.01612759972561447 -0.0013306604417529645 -0.07601513080947836" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15955000       0.33504000       4.18619000      -0.93627534       0.40618578       2.20122600
Cr      -0.46630000       2.93979000       2.15932000       2.17319821      -2.27834158       1.27830984
Cr       1.52797000       0.10067000       1.12241000      -1.48333038      -1.42712615      -1.83541374
Cr       2.98949000      -1.52565000       3.36966000      -0.17591703      -0.13811738       0.71618632
Cr       4.32304000      -0.14434000       1.26944000       1.50792515       0.01593768      -3.51868308
Cr       2.82501000       1.40683000       3.15252000      -1.58352324       0.10513597       1.29350114
O       -0.15346000       1.13538000       1.07407000       2.01513017       1.97976584      -0.89425022
O       -1.94408000       3.01190000       3.38072000      -0.60188104       0.47083660       1.47950763
O       -1.54801000       0.01863000       3.13068000      -0.16995670       0.46030954       1.71621758
O        3.02377000       1.37336000       1.11036000      -0.88912495       0.05713373       1.10026669
O        2.16565000       4.43150000       1.42914000      -0.97879637      -1.66958122      -1.49997145
O        1.49371000      -0.17158000       3.01958000       1.48648182      -0.18751616      -0.51583545
O       -0.78974000       4.08699000       0.81723000      -0.78394475       3.05626968      -1.96866429
O        1.08209000       2.67156000       3.45246000       0.42001446      -0.85089234       0.44760303
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.61700611 magmom=19.9990278 free_energy=-108.61700611 stress="-0.03816774176211972 0.027270623227658573 0.01841775093763745 0.027270623227658573 -0.03186869887322725 -0.019877467650288163 0.01841775093763745 -0.019877467650288163 -0.05216169368285418" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.18875000       0.36516000       4.22308000       1.00959703      -1.51336270      -0.24525191
Cr      -0.38393000       2.95713000       2.21707000       0.37269582      -0.56674560      -1.27260846
Cr       1.49865000      -0.00405000       1.12263000      -1.60321305      -0.39832106      -1.29375419
Cr       2.94663000      -1.51112000       3.29652000       2.34483518      -1.07469335       2.16316935
Cr       4.29783000      -0.15545000       1.24869000       1.34964075       1.38508734      -1.44266914
Cr       2.78220000       1.50197000       3.13381000       0.03706095      -1.60010611       1.33610012
O       -0.01089000       1.30180000       0.93510000      -0.89136215      -0.52793073       0.69704110
O       -1.87985000       3.02137000       3.52139000      -0.66383402       0.01841011      -0.65825438
O       -1.50214000       0.00569000       3.30861000      -1.25484073       0.61065939      -2.10974139
O        2.89868000       1.32655000       1.13616000       0.60147697      -0.24932695       0.94584543
O        2.09597000       4.17320000       1.33291000      -0.70047633       2.40588967       1.04955520
O        1.65827000      -0.16741000       3.08134000      -1.23101367       0.49312154      -1.15300800
O       -0.95912000       4.19333000       0.75128000       0.76981455       0.32346684       1.22192865
O        1.12204000       2.56899000       3.40510000      -0.14038128       0.69385162       0.76164762
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.8588904 magmom=19.9547862 free_energy=-108.8588904 stress="-0.04331375119888406 0.04466971914386332 0.01116023599262846 0.04466971914386332 -0.04084302638701942 -0.005896629009155494 0.01116023599262846 -0.005896629009155494 -0.08076960221488211" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.24187000       0.29254000       4.26922000      -1.24853482      -0.84049140       0.55797678
Cr      -0.26307000       2.91707000       2.21494000      -1.70677893       0.86786309      -1.12108872
Cr       1.37009000      -0.12638000       1.04268000       0.50863566       1.88334976       1.39821571
Cr       3.02249000      -1.53392000       3.35621000       0.74295687       2.44829949      -1.48193740
Cr       4.34523000      -0.05419000       1.12915000      -2.31425811       1.47473276       1.43223195
Cr       2.73294000       1.50704000       3.19497000       0.24173985      -2.65055197       0.57698498
O        0.00765000       1.44258000       0.91747000      -0.73142839      -1.81864749       0.19858182
O       -1.89991000       3.01591000       3.49882000      -0.17170626       0.30561744      -1.03160075
O       -1.56908000       0.14387000       3.19538000       0.26938598      -0.56427692      -0.84570633
O        2.81694000       1.23083000       1.34099000       0.58693870       0.86757896      -2.29739737
O        1.93135000       4.24965000       1.25639000       1.47279212       0.13255022       1.10663440
O        1.60119000      -0.09623000       3.00878000      -0.20137272      -1.47588777       0.30817233
O       -0.95326000       4.32657000       0.92465000       1.42736997      -0.97971161      -0.34632390
O        1.09997000       2.60263000       3.44190000       1.12426009       0.34957544       1.54525649
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.88767269 magmom=20.00229 free_energy=-108.88767269 stress="-0.05840999512480217 0.012419967038380591 0.008960806064459583 0.012419967038380591 -0.052581186222736824 -0.0077129751611464785 0.008960806064459583 -0.0077129751611464785 -0.07382774381699429" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.21614000       0.15877000       4.33148000      -2.35054324       0.38119980       1.99635473
Cr      -0.21249000       2.89891000       2.16748000       0.17838269      -0.27095685       1.71542953
Cr       1.29080000      -0.13863000       1.02725000       2.83556807       2.15200053       0.92998047
Cr       3.14631000      -1.43524000       3.35196000      -1.00531333      -0.01401623      -1.85705307
Cr       4.28026000       0.11142000       1.09216000      -1.19698998      -2.55961591       0.79111935
Cr       2.70304000       1.37274000       3.26305000      -0.43848692       0.78748837      -0.68813103
O       -0.10907000       1.34200000       0.97579000       1.41087110       0.19899099      -0.84110439
O       -1.94386000       3.00481000       3.30447000      -0.13610296      -0.32283592       1.36917789
O       -1.56333000       0.19446000       2.98155000       0.35537845      -0.43522926       2.37118553
O        2.80795000       1.30905000       1.22997000      -0.98139824       0.96691117      -0.33060895
O        2.03800000       4.37673000       1.33950000       1.19301178      -0.58703407      -0.67436548
O        1.45580000      -0.20677000       3.02699000       1.74091758      -0.33402656      -0.49282403
O       -0.73895000       4.28536000       1.05714000      -2.05017284       0.76398585      -2.86450470
O        1.17117000       2.72126000       3.58381000       0.44487785      -0.72686190      -1.42465585
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.90676311 magmom=20.0020043 free_energy=-108.90676314 stress="-0.04586481087416452 -0.003990116543335845 -0.0010016071381685214 -0.003990116543335845 -0.06891644029536946 0.005167316650686207 -0.0010016071381685214 0.005167316650686207 -0.04924875595213779" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63842000       2.95385000       0.08005000       0.26359003       1.54029928      -2.45182755
Cr      -0.19580000       2.88944000       2.18963000      -0.89567101       0.63900715      -0.28166098
Cr       1.35602000      -0.05289000       1.06082000       0.14815350      -0.52687119      -0.72108102
Cr       3.19825000      -1.37349000       3.26087000      -1.02113349      -3.30390927       0.66461910
Cr       4.18400000       0.13855000       1.10244000       2.86878208      -0.74235840      -1.25472997
Cr       2.66578000       1.31222000       3.28247000       0.08058645       2.56696473      -0.49860500
O       -0.04058000       1.31626000       0.94674000      -0.10612547       0.52324238      -0.29449477
O       -1.95278000       2.94828000       3.34025000       0.39614634       0.11543972       0.86650910
O       -1.50206000       0.16232000       3.12978000      -0.32433738       0.87145506      -0.63965485
O        2.70963000       1.46133000       1.08629000       0.57440248      -3.25166298       3.06889815
O        2.32344000       4.36802000       1.28128000      -2.06949561       1.18722349       0.84797241
O        1.50967000      -0.29877000       3.07687000       0.08464807       0.37478636      -0.43547965
O       -0.76953000       4.28822000       0.84082000       0.15988055       0.21341239       0.94318480
O        1.23561000       2.72873000       3.46859000      -0.15942654      -0.20702872       0.18635023
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.51270751 magmom=20.0000359 free_energy=-109.51270751 stress="-0.052575063820329594 0.0008049432336342828 -0.010454464628023614 0.0008049432336342828 -0.047608481362006905 0.0009623708397580433 -0.010454464628023614 0.0009623708397580433 -0.06108778687029509" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53554000       2.91946000       0.08112000       0.82593739      -0.41399851      -0.43838987
Cr      -0.24376000       2.90553000       2.19560000      -1.70288657       0.60009506      -1.20003964
Cr       1.41531000      -0.00859000       1.06383000      -1.25440572      -1.58856004       0.90342234
Cr       3.19109000      -1.48521000       3.21488000      -0.35534144       0.90930090       0.94009163
Cr       4.26070000       0.11084000       1.04705000       2.38810517      -0.76558353       0.36581347
Cr       2.64502000       1.39745000       3.27874000       1.19607580      -0.72718245       0.52170505
O        0.00679000       1.42186000       0.90043000      -0.38131300      -0.95146534      -0.46420730
O       -1.85990000       2.93055000       3.48282000      -0.20064160       0.76124716      -0.80295190
O       -1.51001000       0.21301000       3.21901000      -0.83186990      -0.43586808      -1.79211999
O        2.73907000       1.28926000       1.33840000       1.36154419       1.78758010      -0.85539509
O        2.25792000       4.45515000       1.26545000      -0.80413789      -0.33770870      -0.08582898
O        1.55439000      -0.25886000       3.10536000      -0.45927639      -0.09343607      -0.02086131
O       -0.75071000       4.30227000       0.84331000      -0.52443966       1.17538098       0.93269306
O        1.21487000       2.71279000       3.32477000       0.74264962       0.08019852       1.99606853
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.32036138 magmom=20.0025318 free_energy=-109.32036138 stress="-0.05047892238598318 0.02489491128018338 0.0009305890628060275 0.02489491128018338 -0.058076728790074736 0.006227672886037909 0.0009305890628060275 0.006227672886037909 -0.04902314959556799" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.45067000       2.86799000       0.02912000       0.14078668      -0.58195093       0.12481194
Cr      -0.38478000       2.94054000       2.14145000       0.73217200      -1.07579500       0.43154782
Cr       1.42980000      -0.02532000       1.11824000       1.39439046       1.82644318       1.08449315
Cr       3.15610000      -1.56040000       3.21213000      -0.46441968       3.16413199      -0.55366793
Cr       4.47391000       0.04240000       1.01189000      -4.30225225       0.48265069       2.32787809
Cr       2.69512000       1.45684000       3.30801000       1.03639603      -1.86462790       0.15090488
O       -0.02728000       1.42742000       0.84112000       1.02901678      -0.10941575       0.00671401
O       -1.76943000       3.03449000       3.48186000      -1.46882633      -0.04485839       0.39124468
O       -1.58647000       0.15496000       3.08130000       0.53766089      -0.36411624      -0.03120637
O        2.96734000       1.36352000       1.41516000      -0.88971517       0.65702417      -1.90338933
O        2.06502000       4.42070000       1.20971000       1.52316510      -0.64260947       0.48655374
O        1.49489000      -0.15541000       3.17020000       0.65572964      -0.32220080      -0.57427997
O       -0.75174000       4.48011000       1.06251000       0.27007955      -0.71572572      -1.87054353
O        1.20513000       2.72185000       3.41390000      -0.19418369      -0.40894983      -0.07106117
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.85710687 magmom=20.003427 free_energy=-108.85710691 stress="-0.03332858901869205 0.01942686339690721 -0.0057424453088112375 0.01942686339690721 -0.04242384992864328 0.01239566884335353 -0.0057424453088112375 0.01239566884335353 -0.06671310472414053" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.17202000      -0.09414000       4.32322000       0.17568834       0.45637133      -0.87064168
Cr      -0.51043000       2.92539000       2.10642000       1.19521503      -1.76661111       0.82547787
Cr       1.52166000       0.03734000       1.23285000       0.23047290       0.80675102      -2.10019188
Cr       3.08421000      -1.47345000       3.19221000      -1.04357894      -1.01902465       0.80120896
Cr       4.47244000       0.00475000       1.09047000      -1.84178874       0.66982088      -1.69965624
Cr       2.80424000       1.41763000       3.34676000      -0.62596171       1.24961594      -0.73312683
O        0.05418000       1.41816000       0.85219000       0.09354663       0.23585297       0.49103936
O       -1.87819000       3.11806000       3.44674000      -0.28058199      -0.61446485       0.72400353
O       -1.53692000       0.03079000       2.98010000      -0.55045480       1.72757216       0.60102766
O        3.05466000       1.57293000       1.13382000       0.38719119      -3.31571757       3.25649456
O        2.13242000       4.26075000       1.18976000       0.25545571       2.13063382       1.14971772
O        1.48795000      -0.07037000       3.19078000       1.32015581      -0.55326028      -0.72197240
O       -0.63820000       4.48433000       1.02673000       0.10660184      -0.03512310      -1.09936774
O        1.16962000       2.70116000       3.48887000       0.57803874       0.02758343      -0.62401289
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.73537437 magmom=20.0026096 free_energy=-108.73537437 stress="-0.06906910107997002 0.008938558373701118 -0.005427200738741426 0.008938558373701118 -0.06304037008701806 0.0077163322691769995 -0.005427200738741426 0.0077163322691769995 -0.07589436304424697" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.20349000      -0.16388000       4.25187000       2.12494586      -0.37190741       1.77387367
Cr      -0.57215000       2.82731000       2.11999000       0.66645619       0.10681203       0.80314685
Cr       1.62004000       0.14706000       1.23184000      -2.93629749      -2.09369295      -2.80774749
Cr       2.96799000      -1.43090000       3.22244000       2.00360720      -1.23585878       1.39679985
Cr       4.34862000       0.01271000       1.08748000       3.53757056      -1.19765789      -1.44996384
Cr       2.87785000       1.43713000       3.34455000      -1.86125858       1.39493488      -0.44247273
O        0.12487000       1.47588000       0.98585000      -0.11553084      -1.16981326      -1.23754950
O       -1.98726000       3.09293000       3.44711000       1.09757881       1.13799831       0.64745209
O       -1.53286000       0.16198000       3.03211000      -0.67053783       0.07454082      -0.71974971
O        3.07086000       1.38171000       1.23467000      -0.56333329       1.65578736       0.41205705
O        2.30761000       4.37014000       1.28588000      -0.68986607       0.31234273      -0.69756806
O        1.63379000      -0.06941000       3.12803000      -1.27721009       0.06488277       0.62689401
O       -0.45275000       4.34266000       0.86762000      -0.91727782       1.46310430       1.36926540
O        1.20523000       2.72122000       3.43741000      -0.39884662      -0.14147291       0.32556243
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.1033055 magmom=20.0033767 free_energy=-109.1033055 stress="-0.061020432654412135 -0.0006705592979278107 0.009517805816181337 -0.0006705592979278107 -0.05311666445207937 -0.0027681588486701755 0.009517805816181337 -0.0027681588486701755 -0.057652475439242165" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.11972000      -0.23495000       4.25471000       0.44806826       0.68427166       1.10219382
Cr      -0.57574000       2.72272000       2.17226000       0.83586671       0.45803553      -0.32994129
Cr       1.55583000       0.14475000       1.07627000       0.15050641      -2.23578425       2.01347127
Cr       2.94895000      -1.45279000       3.32320000       2.24093100       2.74141009      -1.69740931
Cr       4.40868000      -0.02446000       0.99225000       0.98891561       0.27199219       2.75419551
Cr       2.84328000       1.54252000       3.33509000      -1.43514538      -1.13111024       0.22624686
O        0.09592000       1.39859000       0.97520000      -0.58774455      -0.11066633      -1.25831082
O       -1.86660000       3.20311000       3.48536000      -0.69597870       0.35972381       0.29363725
O       -1.53866000       0.28891000       3.09819000       0.38418515      -0.83932107      -0.66917009
O        2.98524000       1.41244000       1.39811000       0.59186702       0.97073815      -1.87002947
O        2.33944000       4.50872000       1.28712000      -1.47691146      -1.45806211      -0.16170545
O        1.58073000      -0.06411000       3.14523000      -0.09755073       0.18435399      -0.13505256
O       -0.46740000       4.40193000       0.95323000      -1.24124033       0.73805113      -0.20222238
O        1.16794000       2.75536000       3.41551000      -0.10576901      -0.63363254      -0.06590333
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.03298394 magmom=20.0029406 free_energy=-108.03303853 stress="-0.056862624717685564 0.03823881661024922 0.00708924433957138 0.03823881661024922 -0.047629027224162575 0.02093658299872753 0.00708924433957138 0.02093658299872753 -0.0829637161311398" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00133000      -0.24254000       4.30190000      -2.21351505       2.94497698      -1.29176260
Cr      -0.52127000       2.64647000       2.21792000       0.13312229       0.21384419      -0.57639285
Cr       1.47586000       0.01445000       1.01224000       1.72790627       1.08705958       2.71916758
Cr       3.04608000      -1.34237000       3.32158000      -0.26739390       0.95348732      -2.96711596
Cr       4.50783000      -0.06982000       1.02885000      -5.77035557       1.55969777       1.90583921
Cr       2.72208000       1.59754000       3.32010000       0.40388025      -1.51152888      -0.99041365
O       -0.04786000       1.33784000       0.83452000       1.12371770       0.84695977       1.09219398
O       -1.76005000       3.35323000       3.49317000      -1.14752155      -0.94591918      -0.04980709
O       -1.43716000       0.23896000       3.10946000      -1.54653411       0.50641535      -1.00765445
O        2.95170000       1.62651000       1.31274000       1.27775305      -3.70626099       3.16563659
O        2.14793000       4.42899000       1.23362000       0.94441788       0.19948138       0.34839692
O        1.46665000      -0.02588000       3.16312000       2.38971457      -0.03199553      -1.42771686
O       -0.69542000       4.51398000       1.05549000       1.91736171      -2.77382924      -1.29510596
O        1.11639000       2.73697000       3.39715000       1.02744646       0.65761147       0.37473513
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.83041037 magmom=19.9990233 free_energy=-108.83041038 stress="-0.04337116611107649 0.02223617488077629 0.01884764224990494 0.02223617488077629 -0.02771707641559914 -0.011769637208027846 0.01884764224990494 -0.011769637208027846 -0.0845368809416096" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03266000      -0.11463000       4.31790000      -0.47977767      -0.39702670       0.63358614
Cr      -0.45094000       2.61062000       2.24258000      -0.33808411       1.42526984       0.40810103
Cr       1.48384000      -0.07012000       1.09573000      -1.31810421       1.63358861      -1.32050939
Cr       3.12690000      -1.20324000       3.18328000      -0.60929462      -4.52956028       2.63313158
Cr       4.35145000      -0.05537000       1.16126000       1.76206119       0.86598951      -3.16901171
Cr       2.62581000       1.56640000       3.26881000       1.93769443       0.86568588       1.22491740
O       -0.05712000       1.41743000       0.87303000       1.18146164      -1.67736259      -0.89123637
O       -1.80688000       3.28658000       3.45390000      -1.04040622      -0.79256784       0.77679671
O       -1.48586000       0.23717000       3.03488000       0.78883882       1.04660006       1.45707760
O        3.04363000       1.39844000       1.42514000      -1.06582363       0.61370914      -2.53573089
O        2.15018000       4.36655000       1.21382000       0.77333308       0.00457774       0.10047485
O        1.61416000      -0.02783000       3.04596000      -1.29790547      -0.68274218       0.29338223
O       -0.70613000       4.28550000       0.92356000      -0.02792395       1.22842002      -0.07553962
O        1.19228000       2.82452000       3.41140000      -0.26606927       0.39541879       0.46456045
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.38382586 magmom=20.0048978 free_energy=-109.38382586 stress="-0.04285750487715517 0.003923346239356135 0.004003459179673483 0.003923346239356135 -0.037839631662911356 -0.008303379313672232 0.004003459179673483 -0.008303379313672232 -0.059378809848377984" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03447000      -0.00719000       4.35515000       0.61685148      -0.76954907      -0.32185446
Cr      -0.39815000       2.65883000       2.26665000      -0.59080397       0.48113857      -0.52210023
Cr       1.43265000      -0.06837000       1.10510000       0.09359109      -0.27869255      -1.22536068
Cr       3.16377000      -1.30216000       3.19381000      -0.35943180      -1.48989005       2.20994590
Cr       4.29567000       0.01229000       1.12913000       3.05589502       0.42753764      -1.48725582
Cr       2.63116000       1.56381000       3.26328000       0.63543873      -1.24612421      -0.63454077
O        0.08438000       1.32772000       0.91422000      -0.70063917       0.21502746      -0.06145246
O       -1.95067000       3.02879000       3.46807000       0.56674958       0.97984719      -0.37649534
O       -1.44001000       0.33403000       3.15564000      -1.44410516      -0.26008887      -1.41343032
O        2.90394000       1.32334000       1.17548000      -0.29408329       0.51539971       1.02436974
O        2.28886000       4.33708000       1.22096000      -0.97601661       1.04120265       0.98411569
O        1.56609000      -0.12307000       3.03019000      -0.03326164       0.10095041       0.46933435
O       -0.65594000       4.23034000       0.82472000      -0.67815014       1.14752607       1.10849467
O        1.18061000       2.92860000       3.45080000       0.10796587      -0.86428495       0.24622972
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.98177699 magmom=20.0072563 free_energy=-108.98181682 stress="-0.07073011879515251 -0.01650761519463061 0.01073944310297603 -0.01650761519463061 -0.06717659331232703 -0.009353024364141316 0.01073944310297603 -0.009353024364141316 -0.0411699619091084" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.60247000       2.95730000       0.01447000      -0.73633187       1.24125304      -0.21767557
Cr      -0.37047000       2.74750000       2.25751000      -0.58073508       0.73705482      -0.98481839
Cr       1.39000000      -0.07409000       1.05273000       2.36723696      -0.26918471       1.37855114
Cr       3.17215000      -1.48449000       3.32566000      -0.49148579       3.15277404      -1.55550782
Cr       4.39711000       0.09254000       1.01038000      -2.36799954      -1.23605086       2.79891036
Cr       2.66648000       1.48612000       3.24232000      -0.74180219      -2.19173539      -0.67992863
O        0.06073000       1.31252000       0.98491000      -0.15855464       0.84772930      -0.99427001
O       -1.93669000       2.93885000       3.39751000       0.17292904       1.28012890       0.60653091
O       -1.53350000       0.32696000       3.14727000      -0.50103125      -0.91701458      -0.97727549
O        2.69637000       1.39527000       1.03741000       1.89102847      -1.29265481       2.47406246
O        2.29490000       4.42778000       1.31904000      -0.63427347       0.11881058       0.05427852
O        1.46502000      -0.18272000       3.12370000       1.69571922       0.05445639      -1.15805531
O       -0.70382000       4.37239000       0.93380000      -0.87605187      -0.45812530      -0.46065310
O        1.13443000       2.84737000       3.46491000       0.96135203      -1.06744143      -0.28414904
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.45783211 magmom=20.0025835 free_energy=-109.45783211 stress="-0.06285750670841396 0.013896263521111044 0.010332345420028739 0.013896263521111044 -0.05378904306253625 -0.014339382020521867 0.010332345420028739 -0.014339382020521867 -0.04872272294238186" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59759000       3.07559000       0.01756000      -0.06846199      -0.48913290      -0.09495181
Cr      -0.37139000       2.88101000       2.19961000       0.34689312       0.71065417      -0.01712910
Cr       1.46114000      -0.09090000       1.06808000      -0.84462533       1.23511848       0.24900965
Cr       3.15196000      -1.49943000       3.36339000      -0.75783646       0.53235000      -2.26723162
Cr       4.37657000       0.09842000       1.03380000      -1.58340733      -1.32551402       1.12620102
Cr       2.66839000       1.30399000       3.19556000       0.88185039       2.66259123       1.35550257
O       -0.04394000       1.44947000       0.93180000       0.95617787      -1.11065088      -0.34154025
O       -1.85819000       3.05252000       3.40451000      -0.94861908      -0.87008836       1.31417334
O       -1.63550000       0.11192000       3.03328000       1.64325413       0.48870164       0.83507268
O        2.80427000       1.37577000       1.24998000       0.37539542       0.16200949      -0.61543219
O        2.20035000       4.47190000       1.34173000       0.13520381      -0.97035142      -0.61256607
O        1.54539000      -0.20017000       3.11638000      -0.69809681      -1.22022479      -0.24637168
O       -0.82540000       4.43147000       1.01663000       0.78493527      -0.50017375      -1.18822423
O        1.20427000       2.60319000       3.39563000      -0.22266301       0.69471110       0.50348771
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.99643177 magmom=20.0017776 free_energy=-108.99643177 stress="-0.029808569448574997 0.04060810301770196 0.009118232353624918 0.04060810301770196 -0.038661306872066925 -0.00808745795674514 0.009118232353624918 -0.00808745795674514 -0.08323414366351987" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59119000       3.15167000       0.00221000       1.77478605      -2.96960558      -2.00170755
Cr      -0.36528000       3.04215000       2.14551000       0.80011072      -1.87385625       1.37763388
Cr       1.49685000      -0.04324000       1.10247000      -2.43559913       1.27190232      -0.47986328
Cr       3.09605000      -1.48145000       3.27542000       0.17405390      -2.72516418       0.75565327
Cr       4.27600000       0.01645000       1.13142000       2.98318220      -0.30824729      -1.81277108
Cr       2.71048000       1.25342000       3.23127000       0.64815880       2.49135664       2.10831853
O       -0.03500000       1.45312000       0.87000000      -0.21565042      -0.96820115       0.54569925
O       -1.88133000       3.00993000       3.54248000      -0.20685282      -0.59517224      -1.12261620
O       -1.45812000      -0.02180000       3.08916000      -0.91293604       1.10370459      -0.05494038
O        2.97593000       1.39357000       1.34871000      -1.31599860       0.00725196      -1.05244665
O        2.12495000       4.35669000       1.23836000      -0.34647828       1.89000402       2.29997598
O        1.51597000      -0.33821000       3.09606000      -0.16269383       0.61146099      -0.10465036
O       -0.79075000       4.37527000       0.92506000      -0.32097683       1.09095012      -1.25605646
O        1.19630000       2.51407000       3.34664000      -0.46310572       0.97361605       0.79777105
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.95121197 magmom=19.9997721 free_energy=-108.95121197 stress="-0.044464706471892115 0.008549927387630997 0.005855106308639004 0.008549927387630997 -0.029501913563311437 0.005816554710021144 0.005855106308639004 0.005816554710021144 -0.08830693340747567" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12539000       0.20029000       4.26949000      -0.18174782      -0.03088676       2.47724306
Cr      -0.31638000       3.12111000       2.14761000       0.36434983      -1.31506350       0.26044733
Cr       1.39584000       0.09254000       1.10564000       1.06461716      -0.77530162       0.01715753
Cr       3.03719000      -1.61348000       3.22863000       0.32854061       1.11466501       1.47066633
Cr       4.32227000      -0.08020000       1.14399000      -0.54421713       1.54078954      -0.48840328
Cr       2.79824000       1.36335000       3.36333000      -0.70812241      -1.80822342      -4.46931861
O       -0.08880000       1.29573000       0.92490000      -0.30749475       0.77656743      -0.29066824
O       -1.90956000       2.85951000       3.46140000       0.23312751       1.89855622      -0.22287045
O       -1.40575000       0.05249000       3.17666000      -2.64908731      -0.36896692      -1.31606932
O        2.91025000       1.38239000       1.25355000      -0.24816904      -0.48746973       0.73477025
O        2.07354000       4.39628000       1.32711000       0.49647986      -0.41878351      -1.06375860
O        1.42452000      -0.36666000       3.07835000       1.85995859       0.46666677      -1.00700900
O       -0.73958000       4.38369000       0.77816000      -0.87347570       0.30173544       2.85393253
O        1.05295000       2.64764000       3.41691000       1.16524060      -0.89428495       1.04388049
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.36596684 magmom=20.0013715 free_energy=-108.36596684 stress="-0.09191478607175542 0.000731589017579553 -0.003661786012749688 0.000731589017579553 -0.07279531947093558 0.011268441141642204 -0.003661786012749688 0.011268441141642204 -0.056874628762527" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.19033000       0.08358000       4.27057000      -1.49281209       0.52822193       1.09301565
Cr      -0.23662000       3.10550000       2.18334000       0.28310930      -1.36627402       0.48350488
Cr       1.33564000       0.19581000       1.10385000       0.95562390      -3.24028866      -0.67990485
Cr       2.99734000      -1.69621000       3.25201000       0.57957254       4.28066724      -0.87681860
Cr       4.34187000      -0.10124000       1.13116000      -3.09568120       0.71822855       1.68436365
Cr       2.85455000       1.40502000       3.31202000      -2.21740744      -0.74780185      -0.74089228
O       -0.19887000       1.29844000       0.95291000       0.64243853       1.49783736      -0.43834876
O       -1.88754000       3.01346000       3.27986000      -0.64273605       0.01286118       1.62449805
O       -1.68922000       0.07884000       3.12884000       2.02770264      -1.36621021       0.27981317
O        2.76188000       1.33196000       1.23365000       1.81599146       1.45603784       0.37930934
O        2.14569000       4.35016000       1.24722000      -0.69699869      -0.73720730       0.18656017
O        1.55163000      -0.21421000       2.98796000       0.37294113      -0.18936261       0.61053536
O       -0.77314000       4.41239000       1.00542000       0.49212064       0.75594768      -2.33771592
O        1.01539000       2.67630000       3.59977000       0.97613534      -1.60265713      -1.26791987
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.38045961 magmom=20.0077557 free_energy=-108.38045966 stress="-0.05585693368519787 0.0034548143370336714 -0.002915677291350974 0.0034548143370336714 -0.04845313332636043 0.0014825007425298715 -0.002915677291350974 0.0014825007425298715 -0.0538650229878576" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.16581000      -0.02459000       4.33743000      -0.27235278       0.47118653      -1.78245639
Cr      -0.16919000       3.01737000       2.24521000      -1.27002370       0.67059069      -0.86583096
Cr       1.34787000       0.14561000       1.07150000      -0.03366543      -0.22692680      -0.94603501
Cr       2.98360000      -1.54760000       3.23541000       0.14038536      -0.00608686       0.53207933
Cr       4.20277000      -0.07501000       1.18861000       2.25814439       0.01244440      -1.99035182
Cr       2.81249000       1.39026000       3.19317000       0.48522324       2.04078634       2.46726491
O       -0.20778000       1.54406000       0.92505000       0.54439702      -2.05366863      -0.27669066
O       -1.89727000       3.19809000       3.34873000      -0.17196339      -1.85823426       1.21251025
O       -1.64674000      -0.06628000       3.11563000       1.03298106       1.86935059      -0.05154399
O        2.85786000       1.47044000       1.24351000       0.05575029      -2.08120021       0.65197680
O        2.16734000       4.17427000       1.15970000      -1.37000835       2.37238646       2.23963531
O        1.65910000      -0.06993000       3.03299000      -1.52460082      -1.82257479      -0.47189298
O       -0.69205000       4.48862000       1.00796000      -0.32694786      -0.29965684      -0.65735126
O        1.13952000       2.48893000       3.54231000       0.45268097       0.91160337      -0.06131353
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.61956476 magmom=19.9947758 free_energy=-108.61956477 stress="-0.05297819654715561 0.02237471918801326 -0.005373575090429881 0.02237471918801326 -0.030795375103753356 0.010336286327615348 -0.005373575090429881 0.010336286327615348 -0.0945928020434637" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.10014000      -0.10257000       4.35120000      -0.94927753       1.19067075       0.61525380
Cr      -0.18260000       2.94475000       2.25381000      -1.59096630       0.98882907      -1.43299800
Cr       1.35709000       0.06752000       1.00859000       0.29842181       0.12018835       3.06330561
Cr       2.99623000      -1.37477000       3.25016000       1.09342674      -1.90952232       1.58037171
Cr       4.18556000      -0.05028000       1.15608000       4.01733992      -0.81858846      -1.74088879
Cr       2.78217000       1.46298000       3.20585000       0.66987432      -1.06211483       2.03818931
O       -0.10778000       1.51331000       0.91207000       0.05623733      -1.53724923      -0.44926247
O       -1.91356000       3.04210000       3.54738000       0.33514338       0.57772154      -2.78349328
O       -1.39218000       0.05261000       3.09770000      -2.04542619       0.80697441      -0.60461502
O        2.96211000       1.37960000       1.28541000      -1.09132435      -0.24541594      -0.09264701
O        2.05356000       4.27328000       1.32034000       0.45199448       0.85636941      -0.82607469
O        1.49715000      -0.15807000       3.08459000       1.12208855       0.24367941      -1.02987587
O       -0.64142000       4.45340000       0.90840000      -1.70829913      -0.86697978      -0.05629006
O        1.26255000       2.53681000       3.36838000      -0.65923303       1.65543762       1.71902475
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.44170887 magmom=20.0032409 free_energy=-109.44170887 stress="-0.04442935809065578 0.01753589931050878 -0.0068092877766201395 0.01753589931050878 -0.044932862498052 0.009968464133514338 -0.0068092877766201395 0.009968464133514338 -0.060527835390319036" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53847000       2.76718000       0.01217000      -0.54678936       0.83906971       0.68036950
Cr      -0.26737000       2.90940000       2.17821000      -0.14676674      -0.21394106      -0.33069381
Cr       1.37984000      -0.00619000       1.06884000       1.20832368      -0.66728158       0.46424258
Cr       3.05818000      -1.31379000       3.32924000       0.81121075      -0.67817810      -1.41659079
Cr       4.36573000      -0.06062000       1.03700000      -1.36920563       0.58699759       1.10526711
Cr       2.77355000       1.49309000       3.31085000      -1.03386867      -1.26906095      -2.20534304
O       -0.00953000       1.29939000       0.90617000      -0.27121857       1.19132680       0.08817370
O       -1.84207000       2.96017000       3.38287000      -0.57113134       1.72585435       0.99884684
O       -1.42989000       0.29471000       3.05642000      -1.10017860      -1.03565228       0.21741156
O        2.86124000       1.26770000       1.27882000       0.30705502       0.85745241      -0.00261860
O        2.08312000       4.47260000       1.32792000       1.17580563      -1.47945543      -0.62798258
O        1.43136000      -0.20324000       3.06685000       0.87132795       0.78994567       0.29463588
O       -0.81052000       4.27951000       0.86328000       0.35948748       0.76856054       0.17946844
O        1.22409000       2.85899000       3.41817000       0.30594840      -1.41563766       0.55481321
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.41416196 magmom=19.9998975 free_energy=-109.41416197 stress="-0.04291078018955948 0.004104164893329094 -0.005129966667405263 0.004104164893329094 -0.05336948721502653 0.008150108003373508 -0.005129966667405263 0.008150108003373508 -0.050471780532924386" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.43415000       2.79884000       0.04596000      -0.15762673       0.38995740      -0.55978851
Cr      -0.34210000       2.87191000       2.11076000       0.24633999      -0.49368323       1.30556219
Cr       1.45903000      -0.08175000       1.14838000       0.22547613       0.48964021      -1.08318508
Cr       3.14047000      -1.31704000       3.32602000      -0.46488220      -1.51844573      -0.99212671
Cr       4.43878000      -0.04432000       1.00737000      -2.34707373       1.08729547       1.76637144
Cr       2.72370000       1.46651000       3.29124000      -0.78550376       1.23093276      -1.48805084
O        0.02373000       1.32448000       0.94942000       0.53096935       0.07122146      -0.40968698
O       -1.84967000       3.11495000       3.33693000      -0.98163414      -0.09872296       1.47366056
O       -1.59237000       0.27300000       3.10047000       1.02401289      -0.25592809      -0.30269034
O        2.79057000       1.35463000       1.23568000       1.28934331      -0.77087028       1.14570727
O        2.28984000       4.40722000       1.20439000      -1.04812229       0.11609887       1.09810827
O        1.48255000      -0.10054000       3.13993000       0.62972860      -0.40675644      -0.46299851
O       -0.83517000       4.25606000       0.88529000       1.34596479       1.36017023      -0.53965147
O        1.18000000       2.90850000       3.46978000       0.49300777      -1.20090968      -0.95123129
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.37023697 magmom=20.0009758 free_energy=-109.37023697 stress="-0.05842028292939625 -0.0011583410380019946 -0.009693202596006823 -0.0011583410380019946 -0.06562877752360223 -0.005823428708715808 -0.009693202596006823 -0.005823428708715808 -0.043029037994311" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.34102000       2.84336000       0.05385000       1.47879553      -1.71235743      -0.34909689
Cr      -0.41065000       2.82891000       2.12271000      -0.73939156       0.76839602       0.99548465
Cr       1.55157000      -0.11885000       1.16655000      -0.66021613       2.02394509      -0.88914222
Cr       3.18203000      -1.40613000       3.26668000      -2.21263441      -0.05709858       0.86795299
Cr       4.37564000       0.02952000       1.07196000       1.53017919       0.12456764      -0.44508741
Cr       2.64876000       1.50069000       3.19001000       1.70389469       0.27592601       1.92254035
O        0.07460000       1.41990000       0.96314000      -0.01548302      -1.38659921      -1.06529033
O       -1.92486000       3.17584000       3.48106000       1.67798737      -1.53505553      -0.31880274
O       -1.55905000       0.17812000       3.13138000      -0.51430476       1.29993403      -1.59716771
O        2.92017000       1.40049000       1.28725000       0.27847916      -0.47838897      -0.56988278
O        2.34618000       4.32322000       1.23366000      -0.68652983       1.64124369       1.19346117
O        1.58161000      -0.07164000       3.17879000      -0.34724065      -1.36530993      -0.70104821
O       -0.58530000       4.43735000       0.89249000      -1.51518935      -0.48917483      -0.17810757
O        1.17454000       2.72910000       3.34249000       0.02165377       0.88997201       1.13418671
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.89538508 magmom=20.0022113 free_energy=-108.89538508 stress="-0.04992551603958594 0.02087708884635848 0.00768733818113644 0.02087708884635848 -0.037893931774940555 -0.0026971422775113807 0.00768733818113644 -0.0026971422775113807 -0.09041818335712916" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.32434000       2.82130000       0.03762000       1.20763922       0.08840548      -0.33613356
Cr      -0.50889000       2.81318000       2.18959000       1.77363209      -0.21317564      -2.35885655
Cr       1.61171000      -0.03892000       1.12981000      -1.87653647       0.70744489      -0.07499153
Cr       3.11534000      -1.52963000       3.25574000       0.29134795       1.86729288       0.77035674
Cr       4.39496000       0.11813000       1.12310000       2.05409265      -2.25215665      -1.65825628
Cr       2.65465000       1.54069000       3.17894000       1.58158626      -2.42602669       2.05681585
O        0.06856000       1.38699000       0.86390000       0.54485273       0.19618084       0.17876877
O       -1.73866000       2.96573000       3.52698000      -2.46097113       1.32460430       0.74549408
O       -1.50685000       0.25504000       2.99999000      -0.74953969      -0.15764324       1.22729124
O        3.05473000       1.44629000       1.23729000      -1.43051804       0.64697251       0.25106108
O        2.26969000       4.43069000       1.37680000       0.88573105      -0.87035735      -1.99881947
O        1.61813000      -0.23334000       3.11061000      -0.56055256       1.11441899       0.41621169
O       -0.55831000       4.50276000       0.91358000      -1.52230612      -0.76289814      -0.24588858
O        1.13338000       2.68472000       3.34127000       0.26154207       0.73693781       1.02694650
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.49522458 magmom=20.00098 free_energy=-108.49522458 stress="-0.03961737389995499 0.014126758371182945 -0.004959538222466616 0.014126758371182945 -0.0437312474607294 0.010860822043022536 -0.004959538222466616 0.010860822043022536 -0.08945723320967837" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14670000      -0.07645000       4.33179000       0.45057977       1.82979911      -0.78303854
Cr      -0.53396000       2.79520000       2.16323000       1.08379123      -0.11772879      -0.17713152
Cr       1.58846000       0.12093000       1.08190000       0.02876605      -2.06800036       1.38239125
Cr       3.01276000      -1.55976000       3.26431000       1.52310347       2.82814070      -2.46755577
Cr       4.54550000       0.10154000       1.10578000      -3.65460328      -1.51156201       0.59177015
Cr       2.76022000       1.43296000       3.31266000      -1.88445536      -0.59135455       0.17736313
O        0.10535000       1.41886000       0.81686000       0.32863273       0.76543791       0.81018228
O       -1.81660000       2.88077000       3.57510000      -1.15275951       1.90513510      -1.14687554
O       -1.52642000       0.30048000       3.06793000      -0.08957054      -1.05979940      -0.55157314
O        2.94437000       1.57675000       1.21478000       1.22643074      -2.35818066       2.39053782
O        2.29157000       4.44188000       1.19796000      -0.43645099       0.38510064       0.91550807
O        1.54700000      -0.22473000       3.07182000       0.20819977       0.86618368       0.04452008
O       -0.86783000       4.32674000       0.95133000       1.84374938       0.49109569      -0.40782974
O        1.08299000       2.80514000       3.51804000       0.52458653      -1.36426707      -0.77826853
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.95805856 magmom=20.0023494 free_energy=-107.95805857 stress="-0.0529884130175419 0.019313034373544643 0.010960575458423267 0.019313034373544643 -0.05773869763110702 -0.0064689125502436 0.010960575458423267 -0.0064689125502436 -0.07673651336805226" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02134000      -0.00245000       4.25089000       0.46808450      -0.43449998       2.39211553
Cr      -0.48929000       2.78410000       2.12147000      -0.60064154       0.19094976       3.81642299
Cr       1.54950000       0.19746000       1.08333000      -0.07385546      -1.16051200      -0.68422772
Cr       2.96223000      -1.44720000       3.15692000       0.86350899      -0.40819044       0.24225634
Cr       4.53959000      -0.00898000       1.10484000      -2.68962444       0.64611387       0.65967617
Cr       2.79335000       1.28528000       3.48131000      -0.84210765       3.20462795      -2.19720838
O        0.14062000       1.55437000       0.91898000      -0.38245006      -2.16255030      -1.53110974
O       -2.09756000       3.08247000       3.46005000       1.84038177      -0.63070585       0.12427431
O       -1.51627000       0.12744000       3.14688000      -0.62148735      -0.38366724      -1.50805316
O        2.93977000       1.44479000       1.44295000       1.07496426       0.14472926      -0.90384497
O        2.25199000       4.44652000       1.07940000      -0.95379635       0.90074740       1.77484171
O        1.47275000      -0.05176000       3.05757000       0.93844974      -1.53985851      -0.95392382
O       -0.90014000       4.16569000       0.96637000       0.86183902       1.96233913      -0.35618263
O        1.11909000       2.77656000       3.53957000       0.11673457      -0.32952304      -0.87503663
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.71762235 magmom=20.0054538 free_energy=-108.71762303 stress="-0.05311674504244521 0.010994802146847057 0.02333488058971432 0.010994802146847057 -0.04640656661365758 -0.007489852931450291 0.02333488058971432 -0.007489852931450291 -0.06485409398753848" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.09054000       0.05844000       4.29326000      -0.61813468      -0.14174624       1.04744507
Cr      -0.47026000       2.78464000       2.23775000       0.30152264      -0.52473524      -0.31489585
Cr       1.52033000       0.20654000       1.05337000      -1.03122599      -0.76197344      -0.86087182
Cr       2.96710000      -1.39812000       3.08416000       0.44636657      -3.06409865       2.99460061
Cr       4.39133000      -0.06477000       1.12712000       0.86555697       1.07502689      -1.31790534
Cr       2.77660000       1.32439000       3.49039000       0.15662462       1.87373318      -3.03172210
O        0.02606000       1.41767000       0.90371000      -0.60391149      -0.32067055      -0.50810126
O       -2.00813000       3.12985000       3.34165000       0.01958247      -0.76689561       1.81678932
O       -1.50106000      -0.05322000       3.06738000       0.32895954       1.81954805       0.82047225
O        3.05821000       1.36207000       1.42944000      -0.65066929       0.93562313      -1.06189907
O        2.10246000       4.49681000       1.20276000       0.45035584      -0.96780628      -1.33104011
O        1.51191000      -0.11178000       2.98867000       0.06062965      -0.10709958       0.67247310
O       -0.73089000       4.26054000       1.00303000      -0.29516117       1.41435386      -0.09576845
O        1.14147000       2.70968000       3.39141000       0.56950432      -0.46325952       1.17042365
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.17392097 magmom=20.0054741 free_energy=-109.17392097 stress="-0.06630686535480372 0.003143500188815138 0.020739372818590066 0.003143500188815138 -0.050303128209271644 -0.009279869364574866 0.020739372818590066 -0.009279869364574866 -0.04252711338777264" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.69728000       2.98211000       0.02009000      -0.38730414      -0.29677195      -1.05117127
Cr      -0.43254000       2.76757000       2.32025000       0.65320998      -0.14602115      -2.82949841
Cr       1.44734000       0.17071000       1.00000000      -0.13460033      -1.24787780       2.51032580
Cr       2.99950000      -1.49906000       3.16021000       0.75927208       0.65067636       0.93001464
Cr       4.29729000      -0.05467000       1.09365000       1.26115172      -0.01222056      -0.01292457
Cr       2.77189000       1.45030000       3.33779000       0.30513529      -1.84640706      -0.37788173
O       -0.17178000       1.26988000       0.85793000       1.23438432       1.86566616      -0.17286398
O       -1.86452000       3.00392000       3.48552000      -1.49489320       0.93047107      -0.36738162
O       -1.46784000       0.05370000       3.11528000      -1.21700248       0.49445033      -0.36237565
O        3.01435000       1.44974000       1.19908000      -0.88409685      -0.44268755       1.25132463
O        2.08959000       4.39302000       1.16473000       0.11829793       0.69055294       1.04093153
O        1.56629000      -0.17206000       3.06732000       0.55722866       0.55934023      -0.34757603
O       -0.61793000       4.50919000       1.04648000      -0.99852649      -1.21038782      -1.03990941
O        1.17945000       2.63184000       3.37819000       0.22774353       0.01121682       0.82898608
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.43906478 magmom=20.0057826 free_energy=-109.43906478 stress="-0.06298528619748038 -0.005597277480882339 0.013419543570211608 -0.005597277480882339 -0.05904895919200271 -0.01634602224249358 0.013419543570211608 -0.01634602224249358 -0.05117750265826373" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.72353000       3.00138000       0.03221000      -0.68568797       0.48210360      -1.25426976
Cr      -0.36987000       2.74946000       2.25404000      -0.65279949       1.33153569      -0.64546410
Cr       1.37090000       0.07800000       1.07591000       0.85908640      -0.59552686       1.06731031
Cr       3.06097000      -1.54726000       3.28150000       0.18121774       2.88034864      -1.27419863
Cr       4.29968000      -0.03383000       1.06315000      -0.00058496       0.50558282       1.00556924
Cr       2.78056000       1.46542000       3.18660000      -0.46767953      -0.93193668       1.28120755
O       -0.15745000       1.42120000       0.85914000       0.90544052      -0.93801993       0.25533432
O       -1.91028000       3.01419000       3.49519000       0.28824821       0.71196094      -0.56886850
O       -1.56785000       0.21568000       3.13571000       0.59017592      -0.98830091      -0.94143069
O        2.79018000       1.46665000       1.15013000       0.83777760      -1.52541759       1.40796373
O        2.16811000       4.36841000       1.23796000      -0.68852198       0.91706083       1.19735389
O        1.64146000      -0.11933000       3.15033000      -0.29254976      -0.84719425      -1.29403574
O       -0.69230000       4.49016000       0.95455000      -0.60270966      -1.29156266       0.03199577
O        1.17950000       2.61953000       3.45689000      -0.27141303       0.28936637      -0.26846740
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.35585613 magmom=19.9863899 free_energy=-109.35585613 stress="-0.0368983311343548 0.01918580781977168 0.00714938680997635 0.01918580781977168 -0.034261943556878546 -0.016007061267186855 0.00714938680997635 -0.016007061267186855 -0.0900634083512898" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.15858000       0.15311000       4.34585000      -0.79881302       0.43127643       1.03879219
Cr      -0.34467000       2.80772000       2.15054000      -0.62896447       1.40899904       0.92368586
Cr       1.33294000      -0.05946000       1.21056000       0.60118249      -0.47645133      -2.42290721
Cr       3.13072000      -1.43150000       3.33754000      -0.27767470      -0.09139423      -0.50401446
Cr       4.31300000      -0.00115000       1.08431000      -0.14237044      -0.14796233      -0.43190463
Cr       2.76742000       1.42704000       3.12934000      -0.79484494       1.47406546       2.78856711
O        0.02374000       1.43555000       0.92976000      -0.29668145      -2.11674336      -0.61568767
O       -1.90950000       3.09790000       3.33667000      -0.32986131      -0.92104615       1.31703435
O       -1.53813000       0.19079000       3.04086000       0.77275705      -0.09714680       0.72729549
O        2.70855000       1.31308000       1.25549000       1.31807494       0.52542861      -1.36035638
O        2.19170000       4.43683000       1.41981000      -0.56347049      -0.87071207      -1.81844389
O        1.58864000      -0.16876000       3.09848000      -0.39599325      -0.26454058       0.53262609
O       -0.84112000       4.24172000       0.88589000       0.39667187       1.38477170      -0.54495643
O        1.10853000       2.71447000       3.45178000       1.13998772      -0.23854439       0.37026958
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.77352487 magmom=20.0015986 free_energy=-108.77352487 stress="-0.03776808011328086 0.02810278311108907 0.00912386258183003 0.02810278311108907 -0.04473415507349787 -0.004334602539969856 0.00912386258183003 -0.004334602539969856 -0.06392720161455" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.08625000       0.20151000       4.35350000       0.41535748      -1.15752233       0.89412093
Cr      -0.35472000       2.93767000       2.09665000       0.86865435      -1.65940145       1.46338484
Cr       1.34853000      -0.23116000       1.22096000       1.19186737       1.62618972      -2.21270563
Cr       3.19153000      -1.31367000       3.34873000      -0.87060900      -3.42766606       0.09613067
Cr       4.31206000       0.02049000       1.08751000       0.50906938      -0.77870548      -1.06743382
Cr       2.70825000       1.46442000       3.20995000      -0.48443455      -0.01642744      -1.10106517
O        0.08801000       1.18224000       0.97388000      -1.16802194       1.74580449      -0.11184087
O       -1.91741000       3.00231000       3.33797000      -0.24738305       0.16400729       0.85018222
O       -1.36541000       0.11833000       3.07863000      -1.81351189       0.93219597      -0.22029638
O        2.86715000       1.26396000       1.18692000      -0.75663904       0.52576593       0.80980812
O        2.15740000       4.35441000       1.30261000      -0.13270407       0.83838738       1.34264659
O        1.43337000      -0.24882000       3.14077000       2.08709039       0.13150960      -0.86571585
O       -0.87386000       4.18210000       0.78522000      -0.05487322       1.60772300      -0.16651156
O        1.15793000       2.81071000       3.42052000       0.45613780      -0.53186060       0.28929592
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.72265678 magmom=20.0016962 free_energy=-108.72265678 stress="-0.06969998086368283 0.00824747387301284 0.003507311532978275 0.00824747387301284 -0.07459175441614334 -0.003873267584507248 0.003507311532978275 -0.003873267584507248 -0.04221303890717715" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.56920000       3.04240000       0.04059000       1.55875971      -2.36862667      -0.89160716
Cr      -0.33288000       3.00892000       2.12399000       0.29938503      -1.10482400       0.63385620
Cr       1.43310000      -0.31324000       1.08817000      -0.52369526       4.82021262       0.58562965
Cr       3.22228000      -1.38840000       3.37549000      -0.93301244      -0.62883910      -0.08477655
Cr       4.32795000       0.01304000       1.02081000      -1.02065787       0.09084509       1.39259807
Cr       2.60707000       1.51258000       3.23721000       1.20260575      -2.69209944      -2.50898561
O       -0.06712000       1.21834000       1.02248000       1.67356013       1.32778705      -0.62860891
O       -1.90872000       2.89173000       3.46255000       0.40947423       1.38410597       0.02462663
O       -1.46839000       0.18761000       3.18180000      -1.37760524       0.08899874      -1.12906756
O        2.94667000       1.35736000       1.20579000      -1.19496237      -0.11845711       0.49773612
O        2.15733000       4.34590000       1.28681000       1.15808065       0.19131107       1.50161931
O        1.53933000      -0.24341000       3.12677000       0.13993471       0.22274474      -0.54325453
O       -0.85131000       4.36013000       0.78948000      -0.24097955      -1.00000733       1.03414856
O        1.23053000       2.83197000       3.38742000      -1.15088747      -0.21315165       0.11608578
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.70165127 magmom=20.0065288 free_energy=-107.70165137 stress="-0.07051980912914842 -0.0038223515812770502 -0.008328774322856478 -0.0038223515812770502 -0.06946956968104076 0.025067620796979242 -0.008328774322856478 0.025067620796979242 -0.09238583715950825" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.56268000       2.84080000       0.04646000      -0.64295002       1.88623259      -1.78882981
Cr      -0.29827000       3.02385000       2.20486000      -1.33213196      -0.08622764      -0.52590045
Cr       1.52958000      -0.15733000       0.96524000      -0.45549123       0.81892625       4.04028090
Cr       3.20606000      -1.52896000       3.40846000      -0.95534069       3.42707841      -1.69695718
Cr       4.31251000       0.02622000       1.00969000       0.43032495       1.15106267       2.62627739
Cr       2.54294000       1.44018000       3.13192000       1.91362535       0.82805528       2.61707869
O       -0.07386000       1.52690000       0.98088000       0.42671042      -2.09622930      -0.46026378
O       -1.82171000       2.98844000       3.52114000      -0.60629404       0.20937217      -1.95770149
O       -1.77288000       0.25887000       3.18979000       2.83004887      -0.76274916      -0.37925311
O        2.80528000       1.49300000       1.28445000       0.80071305      -2.54925296      -0.79264246
O        2.36443000       4.35868000       1.42271000      -1.08051874      -0.70979544      -1.73405436
O        1.66081000      -0.16125000       3.04260000      -2.56729770      -1.81557321       0.18984928
O       -0.79995000       4.44972000       1.03367000       0.05108634       0.48483486      -1.95086378
O        1.12264000       2.78442000       3.37668000       1.18751539      -0.78573453       1.81298017
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.66946733 magmom=20.0031717 free_energy=-108.6695394 stress="-0.05885700104206639 -0.006553190555706304 6.441030199808544e-05 -0.006553190555706304 -0.04109441979444468 0.008016244590803606 6.441030199808544e-05 0.008016244590803606 -0.06399049310731274" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.01459000      -0.14240000       4.33573000      -1.06036310       1.66287606      -0.30019286
Cr      -0.31735000       3.02357000       2.24229000       0.93653773       0.32566718      -1.24258803
Cr       1.56485000       0.01301000       1.02460000      -3.82632893      -3.13959569      -0.62804984
Cr       3.14449000      -1.48080000       3.34212000      -1.11520943       0.53229510      -1.47956830
Cr       4.32253000       0.07725000       1.13772000       2.22227717      -1.27526325       0.10904196
Cr       2.58961000       1.37975000       3.15643000       0.89279084       1.16936541       3.18700593
O       -0.03565000       1.55698000       0.92670000       0.42054822      -1.51502103       0.10314014
O       -1.84184000       3.09619000       3.32390000      -1.58602007      -0.69297161       2.03327180
O       -1.61859000       0.17696000       3.14535000       0.01558315       0.39415606      -0.54595542
O        2.79254000       1.32714000       1.21792000       2.32712778       1.00275177       0.82260154
O        2.41445000       4.25474000       1.27111000      -1.65885672       1.10212316       0.67712464
O        1.40849000      -0.25094000       3.04348000       2.00510920       0.08423928      -0.62964703
O       -0.68937000       4.51135000       1.00604000      -0.08014031      -0.15786130      -1.46717583
O        1.12480000       2.67159000       3.54681000       0.50694447       0.50723888      -0.63900871
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.41013791 magmom=20.0040845 free_energy=-109.41013796 stress="-0.050814152099753325 0.017354761484483647 -0.010605930375837876 0.017354761484483647 -0.024859448604431914 0.010659456896501482 -0.010605930375837876 0.010659456896501482 -0.069473006617973" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07238000      -0.13211000       4.27689000       1.13984585      -0.13284280       2.16213089
Cr      -0.31081000       3.03501000       2.21284000       0.47885191      -0.52469415       0.06906618
Cr       1.44663000       0.02284000       1.05606000       1.72945141       0.05324885      -0.60123954
Cr       3.04935000      -1.41106000       3.22135000      -0.00640885      -1.93663124       0.53973700
Cr       4.43331000       0.05014000       1.22424000      -0.19856985      -1.33167216      -3.34226229
Cr       2.67337000       1.39772000       3.32050000       0.35181922       0.69208460      -1.82292880
O        0.01424000       1.40823000       0.95139000       0.22159889       0.54330586      -0.22470696
O       -1.98260000       3.06047000       3.37076000       0.34566071      -0.11322658       0.46351732
O       -1.46348000       0.12168000       3.08256000      -2.41080974       0.75723582       0.36139125
O        3.00833000       1.31131000       1.23289000      -1.33569352       0.51177822       0.83764082
O        2.21654000       4.28691000       1.18560000      -0.24611939       1.22561423       1.04172371
O        1.41748000      -0.29482000       3.03952000       1.30245748       0.92525451      -0.36173884
O       -0.60555000       4.45442000       0.83981000      -1.28157833      -0.96487053       1.37169170
O        1.17759000       2.69639000       3.54165000      -0.09050580       0.29541536      -0.49402246
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.42690805 magmom=20.0022504 free_energy=-109.42690805 stress="-0.05448238659631302 0.01860317013308899 -0.016990766047008842 0.01860317013308899 -0.05610604972822233 0.0218418487235986 -0.016990766047008842 0.0218418487235986 -0.05541295770229729" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.07194000      -0.11579000       4.32648000       0.22404766       0.37004623       0.47067895
Cr      -0.28139000       3.00471000       2.19423000      -0.39608964      -1.82105599       1.12311683
Cr       1.42304000       0.01656000       1.05155000       1.61485496       0.87381068       0.95124013
Cr       2.98693000      -1.45390000       3.15942000       1.54907143       0.61331676       1.39961964
Cr       4.49483000      -0.02300000       1.13641000      -3.19790506       0.85233990      -0.05482018
Cr       2.74739000       1.44807000       3.35980000      -0.83782024      -0.87888805      -2.36886855
O        0.03825000       1.38794000       0.97667000      -0.36900607       0.12655273      -0.65830259
O       -1.97994000       3.01409000       3.45780000       0.87732620       0.99916915      -0.44793511
O       -1.61128000       0.15333000       3.12624000       0.72366619      -0.43483135      -0.39513447
O        2.98469000       1.41860000       1.32038000      -0.27935317      -0.72712967      -0.23275508
O        2.07171000       4.43105000       1.21608000       1.44759158      -0.85442755      -0.44821048
O        1.56339000      -0.13716000       3.05674000      -1.12041785       0.02478956       0.33853465
O       -0.72396000       4.27976000       0.94059000      -0.57061061       2.19156755      -1.10309826
O        1.18172000       2.77609000       3.42257000       0.33464464      -1.33525996       1.42593452
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.30772053 magmom=20.0014666 free_energy=-109.30772061 stress="-0.04920474191580465 0.003061268374738227 -0.005658117190271761 0.003061268374738227 -0.056024001277200516 0.007267521894175427 -0.005658117190271761 0.007267521894175427 -0.04621377892346787" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.49169000       2.80763000       0.05907000      -0.76251077       0.71801800      -1.32748907
Cr      -0.27668000       2.87486000       2.22150000      -0.87291679       0.44916920      -0.82836329
Cr       1.50424000       0.06714000       1.09449000      -2.43219309      -0.63894652      -0.00467030
Cr       3.01052000      -1.47537000       3.18101000       1.03855303       1.23696454       1.41699489
Cr       4.36275000      -0.04255000       1.02836000      -0.24214251       1.36416375       1.76199478
Cr       2.78724000       1.46250000       3.24640000      -0.18480762       0.12848852       1.86456837
O       -0.03761000       1.41275000       0.92562000       0.28343364      -0.96719288      -0.89536851
O       -1.79424000       3.08966000       3.44451000      -1.18861651      -0.11776740       0.54578959
O       -1.62178000       0.10296000       3.15376000       0.50824536       0.37769204      -1.09526929
O        2.83957000       1.43237000       1.31023000       1.51318599      -0.79973544       0.18247372
O        2.19948000       4.41987000       1.17521000      -0.90259121      -0.00520355       0.91268578
O        1.49452000       0.03313000       3.16327000       0.58296537      -2.04055938      -1.28006890
O       -0.87412000       4.37026000       1.01391000       2.27631353      -0.03526184      -0.86154246
O        1.20008000       2.67706000       3.45676000       0.38308159       0.33017096      -0.39173531
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.92814187 magmom=20.0017607 free_energy=-108.92814188 stress="-0.03716964748884195 -0.007915790690833679 0.0035348969748242127 -0.007915790690833679 -0.05420314428670011 -0.014580323465421523 0.0035348969748242127 -0.014580323465421523 -0.07341381614423317" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.48505000       2.90073000       0.09201000       0.32870569      -0.82190769      -1.98670649
Cr      -0.32874000       2.71935000       2.21118000      -0.22057301       1.12725130      -1.39444623
Cr       1.45720000       0.09160000       1.15162000      -1.91052127      -1.76228086      -0.81062321
Cr       3.11167000      -1.41861000       3.29263000      -0.34297385      -0.52642578      -1.52882698
Cr       4.19049000       0.00301000       0.99070000       4.50341702      -0.88267171       0.11875427
Cr       2.81935000       1.47085000       3.20159000      -0.20321568      -0.11805079       2.55581246
O       -0.12615000       1.33857000       0.80786000       0.77676069       0.35459577       1.38680337
O       -1.71443000       3.12553000       3.45965000      -1.78597504      -0.29570917       0.80598584
O       -1.47215000       0.08790000       3.03055000      -0.98508133       1.23584322      -0.11150715
O        2.88363000       1.38513000       1.24253000       0.17007559       0.76188338       0.63470927
O        2.25732000       4.32992000       1.26839000      -1.68040720       1.47637980       1.42427353
O        1.45164000      -0.11532000       3.14098000       1.78889929      -0.16731577      -0.39578950
O       -0.62902000       4.51633000       0.94678000      -0.68762188      -1.19456905      -0.64645433
O        1.22541000       2.63372000       3.39267000       0.24851098       0.81297736      -0.05198486
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.33086392 magmom=19.9992933 free_energy=-108.33086392 stress="-0.0354876615797888 0.010921092582953262 0.004195445041910326 0.010921092582953262 -0.05316455028376857 -0.019575952290665208 0.004195445041910326 -0.019575952290665208 -0.09318833943254604" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.50635000       2.98662000       0.01857000       1.13265390      -0.33181720       0.01289936
Cr      -0.41365000       2.62084000       2.14298000      -1.07924516       2.63757369       1.94964343
Cr       1.30551000       0.03502000       1.18228000       3.66890319      -0.26494887       0.52150897
Cr       3.21545000      -1.37054000       3.35109000      -1.21562884      -0.84300835      -1.63915207
Cr       4.22910000       0.01142000       0.96593000       0.45594338      -0.63716300      -0.11164317
Cr       2.83885000       1.47527000       3.28790000      -1.36613421      -0.37582601      -2.21637130
O       -0.09770000       1.32254000       0.92142000       0.79807158      -1.08459966      -1.52549144
O       -1.87052000       3.05946000       3.53084000       0.80044641       0.59602795      -0.25765029
O       -1.42704000       0.24713000       2.93796000      -0.24170561      -0.25307954       0.87007982
O        2.95536000       1.49236000       1.23427000      -0.64461764      -0.58033419       0.47343046
O        2.10229000       4.38438000       1.46488000       1.25879320       0.56309053      -2.83323848
O        1.62456000      -0.27937000       3.11468000      -1.27999055       2.28687057       1.23276100
O       -0.47223000       4.34152000       0.78928000      -2.67055241      -1.06327248       1.73383193
O        1.23513000       2.76076000       3.26674000       0.38306275      -0.64951345       1.78939179
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.57499603 magmom=20.0059604 free_energy=-108.57503018 stress="-0.05749689616242339 0.017567996464675415 0.012253488875775263 0.017567996464675415 -0.04060367673291666 -0.012915255747314424 0.012253488875775263 -0.012915255747314424 -0.05851516971530135" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.05233000       0.15902000       4.30563000      -0.28910080      -0.33149744       1.39302647
Cr      -0.52705000       2.64807000       2.15965000       0.54660243      -0.94502278       1.59487969
Cr       1.35344000      -0.04765000       1.23752000       1.63957699      -0.14534362      -0.69582332
Cr       3.23660000      -1.36855000       3.29599000      -1.20624744      -0.30227394      -0.35405432
Cr       4.31391000      -0.01815000       0.94066000       0.20735964       1.12345681       1.51610024
Cr       2.78481000       1.46461000       3.28704000      -0.57143675       0.66421764      -0.29145350
O        0.02124000       1.26543000       0.91998000      -0.66046238       0.62971621      -0.43228930
O       -1.89855000       3.04738000       3.52020000       0.40373769       0.27769684       0.30237300
O       -1.42923000       0.33619000       3.05798000      -0.46720953      -0.97322019      -0.86545888
O        2.85697000       1.55929000       1.26546000       0.32733683      -1.50268523       0.25937871
O        2.17202000       4.52098000       1.20553000      -0.47227787      -0.78947158       1.20362535
O        1.61019000      -0.06044000       3.24810000       0.52982010      -1.63154254      -2.35033692
O       -0.77797000       3.98262000       0.90066000       0.04878199       4.14676205      -0.62318814
O        1.24553000       2.79996000       3.40374000      -0.03648091      -0.22079224      -0.65677909
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.82395946 magmom=19.9997912 free_energy=-108.82396052 stress="-0.05817459139021784 0.021986160771969743 0.03175769383939322 0.021986160771969743 -0.04661065175992363 -0.025785775733870954 0.03175769383939322 -0.025785775733870954 -0.06564530716188068" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.12715000       0.18084000       4.31347000      -0.20220728      -1.03389424       0.02197409
Cr      -0.58858000       2.66376000       2.23412000       1.85393764      -0.41949125      -1.15572488
Cr       1.48057000      -0.12041000       1.23755000      -1.95949844       2.10191841      -3.62178239
Cr       3.19237000      -1.39444000       3.22790000      -0.18638627      -0.46439885       0.72781941
Cr       4.38798000       0.01251000       0.99272000      -0.93718750       1.03853154       1.17737670
Cr       2.70916000       1.49088000       3.25303000       0.65190189       0.12350663       0.66488356
O        0.00722000       1.32744000       0.87854000       0.24022720       0.10079126       0.08614667
O       -1.85220000       3.04902000       3.51485000      -1.81106700       0.07575952       1.38349499
O       -1.46775000       0.23017000       3.12246000      -0.57750138       0.08650786      -0.86066949
O        2.80806000       1.45346000       1.26894000       0.73421968      -0.69049481       0.14839061
O        2.22045000       4.48373000       1.09655000      -0.45684672      -0.19955005       2.44813891
O        1.58168000      -0.07268000       3.07606000       0.74594160      -1.57092477       0.93134463
O       -1.01312000       4.21155000       1.04664000       1.95172858       0.75157021      -1.20846081
O        1.20839000       2.78240000       3.41265000      -0.04726201       0.10016857      -0.74293200
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.14632883 magmom=20.0026837 free_energy=-109.14632883 stress="-0.06798516446058979 0.014676074419472643 0.019791232419910744 0.014676074419472643 -0.0572850006475391 -0.015991695077417024 0.019791232419910744 -0.015991695077417024 -0.06374629250238527" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.17066000       0.14504000       4.33691000      -0.18457571      -0.84421901      -0.11479799
Cr      -0.55889000       2.66768000       2.26523000       0.13175212       1.22426318      -0.40420420
Cr       1.50607000      -0.08006000       1.06845000      -1.14463894       0.43407405       1.92265559
Cr       3.13099000      -1.44423000       3.21480000      -0.42249052      -0.02786575       1.59882471
Cr       4.39896000       0.11092000       1.10826000      -1.00628301      -1.20887322      -0.46813781
Cr       2.66595000       1.51791000       3.24874000      -0.42984381      -2.54492293       0.28375994
O       -0.02723000       1.44231000       0.91125000       0.85973692      -0.78131562      -0.76777789
O       -1.98835000       3.00441000       3.57713000       0.95585930       0.40610953      -1.77338130
O       -1.53554000       0.12084000       3.09211000       0.43803484       1.28014799       0.25039554
O        2.88539000       1.31666000       1.24215000      -0.03107269       1.45576705       0.10635633
O        2.21313000       4.33542000       1.33054000       0.33139394       0.68490366      -1.68623435
O        1.61058000      -0.31535000       3.04648000      -0.78630507       2.04396465       0.29668334
O       -0.81839000       4.51703000       0.99279000       0.87927911      -1.66549446      -0.80943507
O        1.13660000       2.77038000       3.27754000       0.40915351      -0.45653914       1.56529317
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.12135095 magmom=19.9992883 free_energy=-109.12135095 stress="-0.0647937711500028 -0.001998094834514265 0.03122315613057784 -0.001998094834514265 -0.04712343718528439 -0.015650801318945324 0.03122315613057784 -0.015650801318945324 -0.06659125146684952" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.72931000       2.94350000       0.00414000      -2.02126285       0.58574102       0.53769932
Cr      -0.49354000       2.73105000       2.25451000       0.92891014       0.74213816      -1.61173237
Cr       1.47757000       0.00837000       0.97168000       1.13963257       0.24940373       1.06574074
Cr       3.04780000      -1.47914000       3.27359000       0.44329045       0.77145217      -0.86470125
Cr       4.36257000       0.14577000       1.19351000       0.68373578      -2.61632928      -1.50679860
Cr       2.61876000       1.41802000       3.25788000       1.27196727       0.36603464      -0.00982441
O        0.01799000       1.43506000       0.89043000       0.27716730      -0.78719085      -0.04266135
O       -1.97342000       3.00696000       3.35041000      -0.85967559       0.59125729       1.38441755
O       -1.52741000       0.17794000       3.12662000      -0.30725036       0.09943237       0.14281804
O        2.91638000       1.42919000       1.20800000      -0.27873839      -0.63046340       0.73889735
O        2.28546000       4.30964000       1.29172000      -0.51649918       1.90305699       0.36836712
O        1.54029000      -0.20341000       3.14130000       1.17272705      -0.32141087      -2.26790258
O       -0.50681000       4.43960000       0.84020000      -2.46418088      -1.05340316       0.78199902
O        1.09957000       2.70474000       3.39003000       0.53017669       0.10028118       1.28368144
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.03842638 magmom=20.0058588 free_energy=-109.03842638 stress="-0.0481745028531626 -0.0014394450587154643 0.005613594083971295 -0.0014394450587154643 -0.05235277118706038 0.006203959651487632 0.005613594083971295 0.006203959651487632 -0.0587057243870126" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.64611000       2.89378000       0.04864000      -0.92629854       1.74385274      -1.05156191
Cr      -0.37052000       2.84005000       2.16854000       0.56200303      -0.56884663       0.67230833
Cr       1.49550000       0.08735000       0.94832000       0.13828986      -2.04417844      -0.01002864
Cr       2.99095000      -1.46786000       3.29279000       0.91127899       0.49679601      -1.04501852
Cr       4.37352000       0.03845000       1.20327000       1.16271404      -0.12088917       0.01815947
Cr       2.64567000       1.34331000       3.28073000       1.41927968       2.77986311       0.13964911
O        0.04774000       1.32492000       0.91212000      -0.62115088       0.71049332      -0.03386581
O       -1.98108000       3.09037000       3.24457000      -0.36465059      -0.22764448       1.67275119
O       -1.52967000       0.22420000       3.20143000      -0.48003624      -0.62364574      -0.73479889
O        2.86455000       1.48163000       1.25663000       0.81854292      -1.77817861       0.92131714
O        2.29089000       4.52358000       1.19745000      -1.52297547      -1.32848960       1.20935778
O        1.50648000      -0.10126000       2.97464000      -0.61697504      -1.68070937       0.06494988
O       -0.58572000       4.18447000       0.85337000      -0.62573320       2.31086245      -0.03558489
O        1.11289000       2.67739000       3.64086000       0.14571143       0.33071442      -1.78763426
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.47861946 magmom=20.0027349 free_energy=-109.47861946 stress="-0.03719031786286318 0.018685230773778122 -0.009097538836087852 0.018685230773778122 -0.044570188150881804 0.005951063101419586 -0.009097538836087852 0.005951063101419586 -0.06437115437279511" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.49594000       2.92723000       0.05092000       1.06690211      -0.35153165      -0.19082560
Cr      -0.20618000       2.93030000       2.10852000      -0.38065500      -0.03077451       1.35633377
Cr       1.51077000       0.06973000       0.93769000      -1.38225020      -0.18738498       2.03863272
Cr       2.98027000      -1.42819000       3.25008000      -0.13087681      -0.27413492       0.98420003
Cr       4.43694000      -0.09867000       1.19805000      -1.37235969       1.46612076      -0.44240122
Cr       2.74752000       1.41318000       3.31597000      -1.49377766       0.16128784      -0.88749919
O       -0.04995000       1.34461000       0.97255000       0.34922502      -0.28542996      -0.95214734
O       -1.99308000       3.09693000       3.40809000       0.59208610      -0.34956589      -1.01482575
O       -1.57797000       0.13169000       3.18853000      -0.24782882      -0.00495532      -0.34930351
O        2.91219000       1.32885000       1.35472000       0.54637582       0.76699223      -0.86159689
O        2.11607000       4.48120000       1.26974000       0.94932140      -1.52663606      -0.31223854
O        1.37952000      -0.23623000       2.90562000       0.43766047       0.53041493       1.70186889
O       -0.79671000       4.27091000       0.90747000       0.55258726       0.75784600      -0.94427323
O        1.13795000       2.73221000       3.53777000       0.51359001      -0.67224846      -0.12592415
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.84945718 magmom=20.0015121 free_energy=-108.84945718 stress="-0.05592824388815349 0.015445739969444448 -0.017759925672733923 0.015445739969444448 -0.05133822612448896 -0.007381164777011332 -0.017759925672733923 -0.007381164777011332 -0.0706017200859657" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.39305000       2.93041000       0.02299000       1.74244526      -2.45753948      -0.79565477
Cr      -0.08154000       3.00853000       2.10971000      -2.22632465       0.62706876      -0.94091686
Cr       1.46926000       0.03697000       1.03755000      -0.55119014      -0.12151469       1.05235371
Cr       2.96551000      -1.41351000       3.25870000       0.15884167      -1.40279413       1.42712953
Cr       4.40636000      -0.12196000       1.17769000      -1.72211781       1.68651541      -1.07554373
Cr       2.78245000       1.49819000       3.28829000      -0.78557260      -1.72374941      -1.54073504
O       -0.11322000       1.38304000       0.93412000       0.75584737      -0.74186933      -0.21133126
O       -1.87175000       3.01515000       3.43593000       0.24066774       0.66502716      -0.26303662
O       -1.62263000       0.03997000       3.13769000      -0.07651584       1.17956916      -0.41158599
O        2.98535000       1.30042000       1.28450000      -0.86788488       0.10551721       0.00009466
O        2.06013000       4.18977000       1.29727000      -0.26535307       3.28275986       1.24037505
O        1.32303000      -0.27307000       3.15836000       1.54076134       0.45049073      -1.58559244
O       -0.77418000       4.39571000       0.85033000       1.31914000      -0.72616817       0.47378009
O        1.23933000       2.69284000       3.33677000       0.73725560      -0.82331307       2.63066367
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.94808058 magmom=20.0007294 free_energy=-108.94808727 stress="-0.053505396020069054 0.015915435357724578 -0.02997262640496021 0.015915435357724578 -0.058646618312956485 0.01649931315737247 -0.02997262640496021 0.01649931315737247 -0.05929030994258783" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.15996000      -0.07164000       4.32340000       0.22136547       0.30247908       0.53554618
Cr      -0.06274000       3.08654000       2.09064000       0.00503790      -1.99551156       1.74816468
Cr       1.40172000       0.00855000       1.19862000       0.72200391       0.18342694      -1.59066744
Cr       2.97170000      -1.47068000       3.35366000       2.03327925       0.20733278      -0.80861840
Cr       4.26806000      -0.03031000       1.10309000       1.18854978      -1.00936699      -0.28995242
Cr       2.79528000       1.49111000       3.17294000       1.01410418      -0.74459252       1.32961296
O       -0.04705000       1.34774000       0.90711000      -0.25531952      -0.13904626       0.91785483
O       -1.70116000       3.00015000       3.36871000      -1.43847317       0.37095925       0.60865106
O       -1.63027000       0.12836000       3.06482000       0.00202803      -0.18051915      -0.44684735
O        2.85390000       1.34355000       1.18557000       0.24894934       0.04797996       0.85679144
O        2.04535000       4.30327000       1.36398000       0.62439329       0.32182112      -0.24993271
O        1.46904000      -0.18562000       3.24509000       0.40607725       0.20702984      -1.21490438
O       -0.49091000       4.34693000       0.85713000      -3.01219196       1.42847697      -1.56733312
O        1.30128000       2.59433000       3.47767000      -1.75980375       0.99953057       0.17163467
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.46847303 magmom=20.0007853 free_energy=-108.46847335 stress="-0.05018240395984188 -0.008065679228016358 -0.031695844859253614 -0.008065679228016358 -0.0570322971411068 0.014394552049126992 -0.031695844859253614 0.014394552049126992 -0.0951163834695746" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.14213000      -0.18430000       4.27569000       0.14935358       1.70196459      -0.48525152
Cr      -0.08827000       3.06882000       2.13296000      -1.58574322       0.24421721      -0.91943694
Cr       1.36635000      -0.01370000       1.26739000       0.32612966      -0.08928813      -2.40288126
Cr       3.08569000      -1.51780000       3.41031000       0.86558438       1.36477114      -1.64472538
Cr       4.19140000       0.01728000       1.02744000       1.99602933      -0.40402666       1.65835996
Cr       2.85594000       1.45478000       3.13158000      -0.89846559       1.70683936       2.77834258
O       -0.02433000       1.34165000       1.04528000      -0.45405005       0.18958281      -0.81752482
O       -1.73911000       3.03960000       3.34661000      -1.44243455       0.52187338       0.83435730
O       -1.56670000       0.17188000       2.99480000       0.28170847      -0.65548418       0.34460437
O        2.73559000       1.40392000       1.22348000       1.45491883      -0.92483154       0.57181626
O        2.15269000       4.46427000       1.35224000      -0.74708340      -1.96496663      -0.13977807
O        1.62265000      -0.05571000       3.17093000      -0.99087214      -1.21085462       0.86074255
O       -0.64465000       4.42426000       0.77211000      -0.77147674      -0.40823967       0.86373400
O        1.08557000       2.70139000       3.55484000       1.81640144      -0.07155706      -1.50235902
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.60701162 magmom=19.9988559 free_energy=-108.60701162 stress="-0.06961502483684226 0.009845745653262251 -0.021849302901774066 0.009845745653262251 -0.0674108620284768 0.01585358610920008 -0.021849302901774066 0.01585358610920008 -0.04328132165314892" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.09135000      -0.21599000       4.21456000       1.57917390       0.42660691       2.30703193
Cr      -0.23972000       3.03738000       2.13399000      -1.05163245       0.52312670      -0.35851840
Cr       1.34880000      -0.04842000       1.21739000       0.70263207       0.49880559       0.03508242
Cr       3.25018000      -1.46906000       3.35900000      -4.59504223       2.43843497      -1.15948717
Cr       4.21862000       0.02512000       1.02649000       0.91280679      -0.52008282      -0.28763866
Cr       2.87014000       1.49286000       3.26250000      -2.74304078      -1.20637896       0.20106425
O       -0.09374000       1.40771000       1.09736000       0.79042088      -0.91111914      -1.67719646
O       -1.95829000       3.10364000       3.42887000       3.25112859      -1.36355328       1.06515803
O       -1.45297000       0.09246000       3.01892000      -1.59896626       1.22912334      -0.69089462
O        2.84451000       1.35496000       1.30984000      -0.42447251       0.08616100      -0.31955686
O        2.19848000       4.32156000       1.25871000      -0.93316543       0.44110685       0.12773805
O        1.57815000      -0.09184000       3.19987000       0.74487919      -0.44569647      -0.81580088
O       -0.92733000       4.42836000       0.87250000       1.83822896      -0.02836272       0.05333756
O        1.14790000       2.88479000       3.37640000       1.52704928      -1.16817196       1.51968081
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.78411263 magmom=20.0033714 free_energy=-108.78411263 stress="-0.049221245464574945 0.01236364103235328 0.0034428276498291045 0.01236364103235328 -0.05610265195051834 0.022997581809427438 0.0034428276498291045 0.022997581809427438 -0.05737129329980047" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03177000      -0.20596000       4.25640000      -1.09161196       0.49133819       1.33835636
Cr      -0.45284000       3.00528000       2.11364000       1.67382969      -2.78995708       2.11628556
Cr       1.37471000      -0.05929000       1.16101000       1.64737702       1.09276699       1.04656171
Cr       3.22440000      -1.33145000       3.24138000      -1.38187789      -2.71843113       0.37863552
Cr       4.30114000       0.00660000       1.02119000      -0.62253815       0.68511138      -0.13640092
Cr       2.74752000       1.48922000       3.41926000       0.12614482      -0.72767083      -2.45007364
O       -0.07223000       1.41632000       0.91557000       0.51772995       0.10609792      -0.05411926
O       -1.78640000       3.00960000       3.62237000      -0.72143514       0.55001468      -1.36118184
O       -1.49621000       0.18052000       3.03576000       0.46103904       0.95613513      -0.10246070
O        2.89813000       1.32399000       1.29494000      -0.54411886       0.05855507       0.55083797
O        2.11817000       4.21824000       1.14211000       0.29197676       1.79659399       0.91102408
O        1.57498000      -0.20689000       3.14512000       1.08045698       0.57140112      -0.69730453
O       -0.86547000       4.41731000       1.03450000       0.41149969       1.19064521      -1.87563540
O        1.38816000       2.87437000       3.37548000      -1.84847197      -1.26260064       0.33547509
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.15951635 magmom=20.00105 free_energy=-109.15951635 stress="-0.04783071144911316 0.018217991818795614 0.016047053268797767 0.018217991818795614 -0.037275768029981234 0.00616276221473622 0.016047053268797767 0.00616276221473622 -0.07630733270777235" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63252000       2.72425000       0.00174000      -1.58078108       1.31192429      -0.70553365
Cr      -0.54369000       2.86632000       2.16891000       2.10705891      -1.33861383      -1.33157628
Cr       1.47564000      -0.00603000       1.15028000      -0.46788821       0.82301053      -1.17835633
Cr       3.12638000      -1.34878000       3.17052000       1.36252449      -2.06549257       0.89051610
Cr       4.34501000       0.03046000       1.01486000       0.27240490       0.64567739       0.79554124
Cr       2.65639000       1.44598000       3.41745000       2.66895099       0.13131495      -2.14164544
O       -0.00686000       1.46093000       0.79565000      -0.06910286      -0.21564538       0.49037426
O       -1.72312000       2.97906000       3.56343000      -3.03206856       1.09172582       0.64323857
O       -1.46227000       0.32022000       3.06032000      -0.20815146      -1.19552981      -0.27051289
O        2.84867000       1.34920000       1.29537000       0.96336655      -0.10316251       1.02035949
O        2.15511000       4.37323000       1.15024000       0.98536541       0.14744079       0.89392367
O        1.62334000      -0.18085000       3.07739000      -0.90366505       0.15592021       0.89551210
O       -0.67333000       4.46848000       0.98160000      -1.07143637      -0.42384000       0.39771281
O        1.25368000       2.70935000       3.41729000      -1.02657766       1.03527012      -0.39955364
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.50615849 magmom=20.000856 free_energy=-109.5061585 stress="-0.034118029947725476 0.0003938710825058121 0.008059051406924637 0.0003938710825058121 -0.04352819355532566 -0.007291707199026931 0.008059051406924637 -0.007291707199026931 -0.06333336960648778" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.59544000       2.83673000       0.06806000      -1.12966216       0.89361488      -0.45312480
Cr      -0.52882000       2.68149000       2.18297000      -1.03781124       1.34658895      -0.04264402
Cr       1.53649000       0.07401000       1.09323000      -1.91288451      -0.89048953      -0.04792648
Cr       3.09006000      -1.46992000       3.17093000      -0.99046954       1.63899528       1.19666056
Cr       4.40066000       0.08725000       1.04858000       0.95035156      -0.54271072       0.42250932
Cr       2.70260000       1.41753000       3.31193000       0.10449427       0.64468894       1.18298306
O        0.01475000       1.47974000       0.82652000       0.62799252      -1.26003717      -0.43620567
O       -2.03379000       3.08310000       3.43966000       1.72971352      -0.84060477       0.15126622
O       -1.43223000       0.21445000       3.08187000      -0.67361654       0.06453700      -0.05595844
O        2.92569000       1.42438000       1.35822000       0.51788618       0.03791739      -0.37108747
O        2.33929000       4.51545000       1.27120000      -1.40760116      -0.95984067      -0.71097101
O        1.52465000      -0.11774000       3.15746000       1.01259123      -0.70213392      -1.20482953
O       -0.63690000       4.43279000       0.96924000      -0.27796627       0.35011089      -0.42446768
O        0.97523000       2.72410000       3.39330000       2.48698213       0.21936345       0.79379595
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.50353043 magmom=19.9966276 free_energy=-109.50353043 stress="-0.0393741201132374 0.0029988227937073142 0.014323791286219722 0.0029988227937073142 -0.06087926082162939 -0.02113823723322677 0.014323791286219722 -0.02113823723322677 -0.048187323593231655" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.51526000       2.98954000       0.08854000       0.82530636      -0.79852396      -1.10579485
Cr      -0.53066000       2.59524000       2.18753000       0.09739792       1.57083572      -0.03967885
Cr       1.49550000       0.09074000       1.03291000       1.24011365      -1.71540774       0.63690768
Cr       3.01345000      -1.49054000       3.22267000       0.53686016       1.56756779      -0.47017051
Cr       4.48228000       0.08970000       1.10954000      -1.79071307      -2.28272701      -0.01459594
Cr       2.75681000       1.42101000       3.27449000      -1.06951606      -0.38734230       0.55407843
O        0.07977000       1.34908000       0.87984000       0.21605012       0.69373723      -0.69282833
O       -2.00018000       3.02451000       3.34143000       0.56529204       0.65180952       1.50549158
O       -1.48219000       0.09732000       3.13634000      -0.76218735       0.93017581      -0.57368574
O        3.05043000       1.52740000       1.29398000      -0.19442674      -1.02998250       0.15494780
O        2.29864000       4.46414000       1.26875000      -0.93454728       1.14850067       0.35276022
O        1.53612000      -0.14138000       3.10560000       0.11963295       0.19929707      -0.56622288
O       -0.65528000       4.41497000       0.92040000       0.27245140       0.23841451      -0.08307486
O        1.05668000       2.79726000       3.42120000       0.87828589      -0.78635482       0.34186625
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.86785695 magmom=19.9993567 free_energy=-108.86785695 stress="-0.05958216818338934 0.03575958472131015 0.018761925495449097 0.03575958472131015 -0.07707695104696913 -0.027008108568201124 0.018761925495449097 -0.027008108568201124 -0.07396838593913903" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.47323000       3.12398000       0.03818000       1.47238072      -2.12619988      -1.09130606
Cr      -0.50366000       2.60997000       2.18206000       1.45021359       0.75984963      -0.51860477
Cr       1.50675000       0.00532000       1.00470000       0.16264450       1.68650655       1.11586776
Cr       2.93506000      -1.39327000       3.25647000       1.77024225      -0.97852172       0.47076739
Cr       4.48509000      -0.03960000       1.17735000      -1.12811082       0.62595113      -1.27930375
Cr       2.75866000       1.41541000       3.27514000      -0.18067040       1.37962015      -0.95678844
O        0.11017000       1.33688000       0.88510000      -0.67843142      -0.03885965      -0.56928571
O       -1.75711000       2.96866000       3.49169000      -2.16790680       0.87143733      -0.38651055
O       -1.61445000       0.11948000       3.16650000       0.71174152       0.16724277      -0.69550573
O        3.10100000       1.50907000       1.16704000      -0.29094264      -0.71271503       1.08807351
O        2.08542000       4.48494000       1.26774000       2.09202819      -0.52619595       0.92605200
O        1.54044000      -0.09939000       2.98363000      -1.24659658       0.39463354       1.17320753
O       -0.62587000       4.40013000       0.87378000      -0.25874063      -0.99951033       0.96855106
O        1.29627000       2.72869000       3.47286000      -1.70785150      -0.50323852      -0.24521422
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.63460712 magmom=19.9976656 free_energy=-108.63461055 stress="-0.04306556132091576 0.012737440576189439 0.010940609095423895 0.012737440576189439 -0.03658946223464953 -0.025933597463963197 0.010940609095423895 -0.025933597463963197 -0.09094503418558435" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.02982000       0.28233000       4.25694000      -0.29424841      -1.38655216       1.55700483
Cr      -0.36451000       2.70186000       2.15757000      -0.21019762       0.29146105       1.46885946
Cr       1.54448000      -0.03485000       1.05881000      -1.42926431       1.41583370       0.27451745
Cr       2.93131000      -1.31609000       3.33133000       0.36298417      -2.20297963       0.63712264
Cr       4.41029000      -0.19605000       1.18267000       1.17674828       2.44219175      -1.33691545
Cr       2.74008000       1.48183000       3.22353000       0.75973447       0.30062039       0.04391315
O       -0.04435000       1.38510000       0.84642000       0.69047527      -1.83922553       0.49166878
O       -1.79421000       3.04682000       3.52469000      -0.87951892      -0.11962019      -1.26620367
O       -1.61291000       0.18256000       3.11653000       0.18555260      -0.42602401      -0.02272999
O        3.01422000       1.35513000       1.18535000      -0.61199389      -0.08113030       0.35051105
O        2.20453000       4.38294000       1.38024000      -0.74585473      -0.29828654       0.04499741
O        1.34831000       0.04374000       3.05513000       2.60384522      -1.64267409      -1.43514655
O       -0.60934000       4.20441000       0.99921000      -0.57386473       1.83563990      -1.40109639
O        1.23616000       2.58528000       3.46488000      -1.03439740       1.71074564       0.59349729
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-107.93421989 magmom=20.00482 free_energy=-107.93421991 stress="-0.06733653623414551 -0.03611420457571565 -0.024590265984737555 -0.03611420457571565 -0.04546468892651065 -0.004613943921057122 -0.024590265984737555 -0.004613943921057122 -0.10712656423877834" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.00883000       0.24313000       4.17087000       0.54830311      -0.86145112       1.74423828
Cr      -0.22706000       2.82826000       2.18595000      -2.12179822       0.22507815      -1.35622717
Cr       1.49253000       0.00257000       1.13968000      -2.16699101      -2.31321148      -2.34520343
Cr       2.95933000      -1.35348000       3.44318000       1.11929989      -0.99576133      -1.53238663
Cr       4.36721000      -0.24013000       1.11875000      -0.34863179       1.28742582       1.16203796
Cr       2.74918000       1.58372000       3.15633000      -0.44444665      -1.92323335       0.99130418
O       -0.14170000       1.22822000       0.97707000       1.18731414       0.20701069       0.42125607
O       -1.94079000       3.07384000       3.25802000       0.20986429       0.82684746       2.10872947
O       -1.52586000       0.15998000       3.09303000      -1.68705918      -0.19707070      -0.19673628
O        2.81019000       1.21725000       1.26396000       2.02056610       1.91652744      -1.14984213
O        2.32842000       4.14024000       1.45279000      -1.83482836       1.31365143      -0.19852047
O        1.49833000      -0.03775000       3.02548000       0.61117950      -0.58021508       0.67280613
O       -0.66596000       4.22650000       0.97087000      -0.09671068       1.60856116      -1.91411645
O        0.99570000       2.70635000       3.51853000       3.00393886      -0.51415911       1.59266049
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.92371613 magmom=20.0002585 free_energy=-108.92371613 stress="-0.06480735713653975 0.004961712495861181 -0.007558961591857975 0.004961712495861181 -0.050696466223207545 -0.012289575315465746 -0.007558961591857975 -0.012289575315465746 -0.043655761051534625" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.03946000       0.15645000       4.19536000       0.76233834      -1.10171131       0.72097375
Cr      -0.21427000       2.94121000       2.17219000      -0.57427384       0.90529727      -0.17875505
Cr       1.38331000      -0.04213000       1.10450000       2.69317993      -0.03171084      -0.36222226
Cr       3.04412000      -1.43965000       3.46628000       0.42873971       0.25880802      -0.88734423
Cr       4.30813000      -0.19184000       1.13290000      -0.90157612       1.32934358       1.43438380
Cr       2.74834000       1.57330000       3.13285000      -0.22543428      -1.99393330      -0.20018791
O       -0.05664000       1.19997000       1.17767000      -0.26547440       0.99261216      -1.20967963
O       -1.96606000       3.13721000       3.32998000       0.98468908      -0.36644615       1.11109306
O       -1.60951000       0.09991000       3.11534000      -0.05323149       0.63829843      -0.07620169
O        2.85801000       1.33425000       1.16218000       0.13365523      -0.40250709       0.12882594
O        2.16063000       4.13845000       1.38086000      -0.65523768       1.61659772       0.02963602
O        1.67296000      -0.17592000       3.08007000      -2.08318471       0.98847002      -0.14831490
O       -0.69198000       4.42056000       0.73748000      -0.10499427      -2.01232494       1.42818100
O        1.12395000       2.77707000       3.61088000      -0.13919550      -0.82079358      -1.79038789
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.02994239 magmom=20.0004563 free_energy=-109.0299424 stress="-0.05572977870281005 0.03258463630179068 0.002801713457632798 0.03258463630179068 -0.046287422664406414 0.012427264972858105 0.002801713457632798 0.012427264972858105 -0.04110556722336615" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       0.07990000       0.03114000       4.27478000      -1.79388777       1.01282518       1.20247079
Cr      -0.24489000       3.06261000       2.14748000       0.45252699      -0.76699044       0.88390808
Cr       1.39738000      -0.07983000       1.05807000      -0.37255775       1.66256904       1.29050802
Cr       3.12686000      -1.48997000       3.43710000      -1.35394701       1.04816887      -0.36700656
Cr       4.22571000      -0.08495000       1.19617000       2.01873704       0.45790059      -2.09309516
Cr       2.73455000       1.46292000       3.12102000      -0.40603133       0.25971956       1.27515949
O       -0.01177000       1.36531000       1.13717000      -0.52892233      -0.95763948      -1.40516580
O       -1.82897000       3.10271000       3.52987000      -0.65864151      -0.56693428      -1.62954418
O       -1.63270000       0.12735000       3.15037000       0.57873350       0.08844254      -0.38574756
O        2.92863000       1.39999000       1.09649000      -0.36165640      -1.10596486       1.71379692
O        1.98780000       4.36227000       1.22614000       1.93445977      -1.08761553       0.81274888
O        1.50065000      -0.14987000       3.13716000       2.04792113      -0.75398596      -2.10406057
O       -0.71269000       4.30978000       0.79080000      -1.19955340       0.99704698      -0.08283044
O        1.22653000       2.72404000       3.42726000      -0.35718094      -0.28754222       0.88885809
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.61539456 magmom=20.000603 free_energy=-109.61539456 stress="-0.03019633561738214 0.024033335782151992 -0.00907584829364151 0.024033335782151992 -0.035286052933272215 0.02070651077996307 -0.00907584829364151 0.02070651077996307 -0.06696098076030545" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.58928000       2.83897000       0.03027000      -0.02969403       0.77045083      -0.70440856
Cr      -0.24772000       3.10273000       2.17005000       0.13326102      -1.10636256       0.27843362
Cr       1.41066000      -0.03939000       1.06925000      -0.52157891      -0.11378989      -0.82975078
Cr       3.13398000      -1.47716000       3.37686000      -0.23449314      -0.08830483      -2.48685004
Cr       4.26708000       0.02879000       1.14604000       1.86105137      -1.02559901      -1.32029195
Cr       2.70465000       1.37961000       3.18391000       0.17756913       0.92569946       2.00921835
O       -0.07861000       1.43270000       0.91041000       0.30161338      -0.76253758       0.83730397
O       -1.80529000       2.95600000       3.43581000      -1.41027710       0.48088435       0.28687878
O       -1.51861000       0.15119000       3.14454000      -0.53916388      -0.30802369      -0.45581426
O        2.88106000       1.34705000       1.26939000      -0.45529057      -0.01227289      -0.24725937
O        2.16139000       4.39244000       1.16722000      -0.36282325      -0.04127572       1.33120494
O        1.50678000      -0.19949000       2.99106000       0.23324563      -0.63046920       1.17317148
O       -0.88149000       4.34162000       0.91268000       0.38999806       1.46870668      -1.27864085
O        1.21162000       2.66378000       3.33918000       0.45658229       0.44289403       1.40680467
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.40071026 magmom=20.0027429 free_energy=-109.40071026 stress="-0.05550687459513328 -0.012264783285995132 -0.010894560820194937 -0.012264783285995132 -0.05965234562733673 0.008693025362613006 -0.010894560820194937 0.008693025362613006 -0.059952492398770624" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.53065000       2.80833000       0.10889000       0.28539019      -0.00522640      -0.93942515
Cr      -0.25553000       3.06703000       2.21301000      -0.68602608       0.07314546      -0.76489067
Cr       1.38946000       0.00550000       1.05284000       0.60821673      -0.40345930       0.02570217
Cr       3.12602000      -1.46261000       3.19507000       0.55109941      -0.60478129       0.35100082
Cr       4.38963000       0.09652000       1.02879000      -2.80728806      -0.44710818       1.47449125
Cr       2.68042000       1.34888000       3.34417000       0.09850776      -0.19943341      -1.26080289
O       -0.09336000       1.41538000       0.82818000       1.32218821       0.76325833       0.50563290
O       -1.96350000       2.89737000       3.31289000       0.62209200       0.88405959       1.37090135
O       -1.45838000       0.09839000       3.09267000      -0.78589414       0.66097775      -0.27691563
O        2.75517000       1.32279000       1.37278000       1.08450731      -0.04629904      -0.51309814
O        2.35295000       4.33169000       1.27931000      -1.63683858       1.04741164      -0.69093508
O        1.53962000      -0.31660000       3.06085000      -0.67009644       0.62211499       0.22033603
O       -0.85707000       4.52058000       0.90842000       1.89864304      -1.94432979       0.46102139
O        1.19258000       2.71783000       3.42439000       0.11549866      -0.40033035       0.03698165
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.86361768 magmom=19.9979366 free_energy=-108.86362926 stress="-0.04219107968648746 -0.0077834059167417365 -0.015999005451222223 -0.0077834059167417365 -0.060735646336801175 0.011147342058381884 -0.015999005451222223 0.011147342058381884 -0.0727780340545586" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.46893000       2.78211000       0.13134000      -0.53658185       0.03560604      -1.70592146
Cr      -0.31137000       3.00814000       2.23022000      -0.18061548      -1.57435062       0.67783068
Cr       1.41234000       0.04295000       1.03414000       1.31726574       0.36240386       1.16715929
Cr       3.14089000      -1.47703000       3.03826000      -0.67927275       0.16048057       3.29681827
Cr       4.39544000       0.13271000       0.99370000      -0.31863507      -0.30774066       2.06772357
Cr       2.66710000       1.31771000       3.43688000       0.41802899       0.20818349      -2.39291401
O        0.06046000       1.49419000       0.89949000      -0.42125753      -0.55584689      -0.46249466
O       -1.98587000       2.99147000       3.39567000       0.82779096      -0.27971173       0.08385951
O       -1.51416000       0.11665000       3.03815000      -0.09779818       0.47129683      -0.01616213
O        2.80641000       1.33919000       1.31871000       0.96250512      -0.22087895       0.88259045
O        2.27929000       4.38851000       1.17497000      -0.69172037       1.28473059      -0.49334043
O        1.47011000      -0.28635000       3.24954000       1.00732579       0.36227151      -1.52184490
O       -0.52755000       4.38010000       0.98943000      -2.56072062       0.90912861      -1.16455605
O        1.16308000       2.74919000       3.46777000       0.95368525      -0.85557265      -0.41874813
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.33091731 magmom=19.9991412 free_energy=-108.33139729 stress="-0.06347241033215308 0.03474241088489113 0.001227092409461278 0.03474241088489113 -0.059709600557167244 0.003938976838177066 0.001227092409461278 0.003938976838177066 -0.031846117511390916" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.36888000       2.75282000       0.05479000      -0.29960582       0.16128134      -0.84086622
Cr      -0.39386000       2.84539000       2.27813000       0.92879617      -0.31724264      -0.66064439
Cr       1.51024000       0.11129000       1.07924000      -1.65400507      -0.54130114       0.62921391
Cr       3.13166000      -1.49695000       3.05352000      -0.39055985       0.24238427       1.24615311
Cr       4.37401000       0.15038000       1.07181000       1.86200311      -1.51879960      -1.14323405
Cr       2.68088000       1.30041000       3.39614000       1.14131673       2.58895366      -0.12520553
O        0.15011000       1.52063000       0.97858000      -0.74320171      -0.95469556      -1.18691523
O       -1.79676000       3.08298000       3.48512000      -1.88301901       0.38548129       0.13271319
O       -1.58185000       0.17663000       3.04009000       0.54878674      -0.73850679      -0.09889461
O        3.00164000       1.41744000       1.30449000      -0.97050988       0.78353182       0.70205020
O        2.10771000       4.58391000       0.87479000       2.13012347      -1.07587231       2.44434138
O        1.48157000      -0.11469000       3.25551000       0.26397802      -1.61650244      -1.62750491
O       -0.53861000       4.28700000       0.97348000      -1.28255709       1.95264982      -0.08791007
O        1.25789000       2.68455000       3.39712000       0.34845420       0.64863826       0.61670322
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.6275055 magmom=20.000288 free_energy=-108.6275055 stress="-0.07551399582874253 0.028038966757340918 -0.007440946194837897 0.028038966757340918 -0.05147050750798224 0.008011825377648153 -0.007440946194837897 0.008011825377648153 -0.06340646825770983" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.28525000      -0.14155000       4.27108000       2.83524530      -0.08462738       2.21842981
Cr      -0.43740000       2.62804000       2.30614000      -0.00096198       1.61769005      -0.19496372
Cr       1.54994000       0.15423000       1.16177000      -0.71854734      -1.24130378      -2.09483285
Cr       3.09646000      -1.50291000       3.15085000       0.39889112       1.86998134      -0.37840370
Cr       4.44228000       0.09439000       1.11070000      -0.68352912      -0.27379013      -1.70921385
Cr       2.75096000       1.41474000       3.33324000       0.18162580       1.00087484       0.70224925
O        0.07347000       1.41005000       0.95849000       0.24478938       0.12853212      -1.29532080
O       -1.78940000       3.21436000       3.53732000      -0.60248456      -0.27657353       0.16811993
O       -1.58663000       0.12161000       3.05853000      -1.67977634       0.94718092      -1.73871291
O        3.04829000       1.64124000       1.34105000       0.09705351      -1.28322372       0.29518230
O        2.25939000       4.58677000       0.95994000      -0.39476397      -1.01654646       1.60803089
O        1.54234000      -0.11932000       3.01380000       0.39915862      -0.45678788       1.67126623
O       -0.78863000       4.48444000       0.94616000       1.90759483      -0.80485093       0.45412708
O        1.35679000       2.73102000       3.35764000      -1.98429526      -0.12655545       0.29404235
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.90063086 magmom=19.9992035 free_energy=-108.90063086 stress="-0.053582654687055586 0.01877028471741385 0.005130908124158792 0.01877028471741385 -0.03825028821067167 9.41055050002637e-05 0.005130908124158792 9.41055050002637e-05 -0.07805381806629842" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.25668000      -0.13802000       4.22996000       1.50142027       0.14267307       1.21600665
Cr      -0.46719000       2.51434000       2.30614000      -0.95391928       1.69039905      -0.45997762
Cr       1.53805000       0.12327000       1.14445000       0.42493610      -1.14185814      -0.05449041
Cr       3.06609000      -1.42351000       3.22076000      -0.24218973       0.44208922      -0.53680618
Cr       4.46072000       0.01363000       1.05168000      -2.17887627      -0.08478136      -0.65669976
Cr       2.80788000       1.58410000       3.31413000      -1.71862692      -1.06246673       0.10978280
O        0.00940000       1.37904000       0.85013000       0.89579164       0.38420510       0.25350482
O       -1.83603000       3.23600000       3.54638000       0.55682398      -0.72609864      -0.34716429
O       -1.66823000       0.18728000       2.95706000       1.41511598       0.82537997       1.07290531
O        3.02686000       1.67052000       1.34803000       0.12185099      -1.41403606      -0.39240022
O        2.37300000       4.37864000       1.28931000      -1.29516714       0.55635775      -1.54527355
O        1.61891000      -0.17656000       3.04709000      -0.93530293       1.60411598       0.94854985
O       -0.66822000       4.52623000       0.98608000       1.35188031      -0.85831258      -0.48381369
O        1.15627000       2.78170000       3.36549000       1.05626300      -0.35766664       0.87587628
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-108.89440739 magmom=20.0040048 free_energy=-108.89440739 stress="-0.040865544840685275 0.00018477200712876612 0.008028073779766892 0.00018477200712876612 -0.017553153013777894 -0.015062270037338446 0.008028073779766892 -0.015062270037338446 -0.07945605502995991" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr      -0.13499000      -0.12351000       4.27878000       0.28559798      -0.10816092       0.84462455
Cr      -0.51759000       2.51789000       2.27770000       0.79994153       0.76736316      -1.31758837
Cr       1.54608000       0.03978000       1.11372000       0.22200840       0.61427249       0.81109123
Cr       3.02711000      -1.31035000       3.24932000       0.64160702      -0.18851878       0.75688910
Cr       4.36839000      -0.05656000       0.98532000       0.92568195       0.54632603       2.22322701
Cr       2.77435000       1.65970000       3.30179000      -0.61223623      -2.61371244      -0.38420372
O        0.06283000       1.42627000       0.84952000       0.29734606      -1.33865421      -0.38286809
O       -1.78475000       3.11723000       3.48029000      -1.54991684       1.55181560       1.09007562
O       -1.50199000       0.33692000       3.03561000      -0.75932523      -0.26187215      -0.90822963
O        2.98017000       1.46343000       1.24512000       0.37954636      -0.55088376       0.53480980
O        2.25401000       4.29818000       1.32718000       0.09406384       1.37173232      -0.68868635
O        1.55562000       0.00202000       3.25642000       0.68894698       0.02676848      -1.63254216
O       -0.36760000       4.39039000       0.93177000      -2.69374997      -0.21880731      -0.15442203
O        1.09165000       2.77571000       3.46027000       1.28048813       0.40233149      -0.79217697
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.15604554 magmom=19.9998947 free_energy=-109.15604554 stress="-0.058462517430337986 0.002084297640251773 0.008949782336007484 0.002084297640251773 -0.04195411889510453 -0.010225968646215312 0.008949782336007484 -0.010225968646215312 -0.04094364634233964" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.54277000       2.77631000       0.00985000      -0.95825906       0.05385428      -0.02989124
Cr      -0.51789000       2.58560000       2.19587000      -0.06582308       0.73545523       0.17833580
Cr       1.53354000      -0.02179000       1.12122000      -2.23076700       0.28292726      -0.78035840
Cr       3.02669000      -1.23022000       3.30763000       1.32527023      -1.43975626       0.08057788
Cr       4.34094000      -0.09342000       1.02761000       2.75497435       0.82589327       0.40505527
Cr       2.71630000       1.59278000       3.27581000       1.52305606       0.16154642      -0.28074315
O        0.09665000       1.31759000       0.89674000      -0.72346585       0.17850004      -0.18963169
O       -1.89581000       3.16589000       3.48117000      -0.14595211       0.22272086      -0.46008584
O       -1.37579000       0.38771000       3.06003000      -1.39959364      -0.45307786      -0.51491517
O        2.96235000       1.26840000       1.17794000       0.46048936       1.31312942       0.94790504
O        2.18375000       4.43109000       1.20542000       0.50632533      -0.93986806       1.37624586
O        1.52886000       0.12970000       3.18210000       0.45805874      -2.19030785      -1.23230401
O       -0.54015000       4.27829000       0.87427000      -1.03405690       0.84060741       0.64731582
O        1.21756000       2.83550000       3.41737000      -0.47025644       0.40837583      -0.14750616
14
Lattice="5.812300205 0.0 0.0 -0.723542662 5.76708936 0.0 -2.544379031 -2.883544975 4.358226405" Properties=species:S:1:pos:R:3:force:R:3 energy=-109.0842648 magmom=20.0046584 free_energy=-109.0842648 stress="-0.049484677401179566 0.031254890578166154 0.012821104891508851 0.031254890578166154 -0.05577909859611902 0.0007248618566285847 0.012821104891508851 0.0007248618566285847 -0.03961454572861534" dipole="_JSON [[0.0, 0.0, 0.0]]" pbc="T T T"
Cr       2.63806000       2.81536000       0.09036000      -0.72916889       1.19029849      -1.22321765
Cr      -0.50254000       2.71436000       2.12001000      -0.08381969       0.76486474       1.73709943
Cr       1.41334000      -0.06737000       1.07623000       1.42840944       0.20399505      -1.11449575
Cr       3.09954000      -1.24216000       3.36851000       0.16163379      -1.88399055      -1.65516257
Cr       4.43951000      -0.07624000       1.10307000      -2.99676646       1.51076272      -0.59481403
Cr       2.71746000       1.51638000       3.23314000      -0.40985871       0.65778508      -0.73364738
O       -0.02038000       1.27736000       0.97801000       1.10504201       0.57542945      -1.03947005
O       -1.98372000       3.19710000       3.38299000       0.67316901      -0.77315491       0.86976399
O       -1.43544000       0.31873000       3.07159000      -0.32605270      -0.24266594       0.90331209
O        2.97468000       1.33158000       1.22956000      -0.28319377      -0.50818459       0.70579164
O        2.23002000       4.42604000       1.26752000      -0.29025332      -0.27262345       0.15187100
O        1.54679000      -0.11354000       2.95634000      -0.39343405       0.53381328       2.07733940
O       -0.90582000       4.28975000       0.92444000       2.64094238      -0.47834640      -1.12864156
O        1.24157000       2.92116000       3.31127000      -0.49664906      -1.27798297       1.04427144
